Sample records for zr3al2 structure types
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Structural and compositional evolution of Al{sub 3}(Zr,Y) precipitates in Al-Zr-Y alloy
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gao, Haiyan, E-mail: gaohaiyan@sjtu.edu.cn
Structural and compositional evolution of Al{sub 3}(Zr,Y) precipitates in aged Al-Zr-Y alloy was investigated through atom probe tomography (APT) and transmission electron microscope (TEM) analysis and first principles calculations. The results show that short-bar-shaped D0{sub 19}-Al{sub 3}Y with some Zr atoms dissolved in precipitated at the very beginning of decomposition and worked as heterogeneous nuclei for L1{sub 2}-Al{sub 3}Zr with spherical morphology after being aged at 400 °C for 2 h. Quasi-static coarsening happened as the aging treatment lasted from 2 h to 200 h. However, distribution of Zr and Y atoms in Al{sub 3}(Zr,Y) is nearly uniform and Al{submore » 3}(Zr,Y) do not have the typical “Al{sub 3}RE core-Al{sub 3}Zr shell” structure which observed in other RE containing Al-Zr-RE alloys with L1{sub 2}-Al{sub 3}RE as nuclei. First principles calculations revealed that binding energy between Y and Zr is strong during the growth of Al{sub 3}(Zr,Y), which led to the co-precipitation of Y and Zr atoms and attribute to the evolution of Al{sub 3}(Zr,Y). - Highlights: •Al{sub 3}Y precipitated firstly and then became nuclei for Al{sub 3}Zr during aging of Al-Zr-Y. •Al{sub 3}(Zr,Y) precipitates do not have the typical “Al{sub 3}Y core-Al{sub 3}Zr shell” structure. •Strong binding between Y and Zr led to the co-precipitation of Y and Zr atoms.« less
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Reactive sputter deposition of metal oxide nanolaminates
NASA Astrophysics Data System (ADS)
Rubin Aita, Carolyn
2008-07-01
We discuss the reactive sputter deposition of metal oxide nanolaminates on unheated substrates using four archetypical examples: ZrO2 Al2O3, HfO2 Al2O3, ZrO2 Y2O3, and ZrO2 TiO2. The pseudobinary bulk phase diagrams corresponding to these nanolaminates represent three types of interfaces. I. Complete immiscibility (ZrO2 Al2O3 and HfO2 Al2O3). II. Complete miscibility (ZrO2 Y2O3). III. Limited miscibility without a common end-member lattice (ZrO2 TiO2). We found that, although reactive sputter deposition is a far-from-equilibrium process, thermodynamic considerations strongly influence both phase formation within layers and at interfaces. We show that pseudobinary phase diagrams can be used to predict interfacial cation mixing in the nanolaminates. However, size effects must be considered to predict specific structures. In the absence of pseudoepitaxy, size effects play a significant role in determining the nanocrystalline phases that form within a layer (e.g. tetragonal ZrO2, tetragonal HfO2, and orthorhombic HfO2) and at interfaces (e.g. monoclinic (Zr,Ti)O2). These phases are not bulk standard temperature and pressure phases. Their formation is understood in terms of self-assembly into the lowest energy structure in individual critical nuclei.
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NASA Astrophysics Data System (ADS)
Huang, Cheng; Shao, Hongbang; Ma, Yunlong; Huang, Yuanchun; Xiao, Zhengbing
2018-04-01
The structural stability, electronic structures and elastic properties of the strengthening precipitates, namely Al3Zr, MgZn2, Al2CuMg and Al2Cu, present in 7055 aluminum alloy were investigated by the first-principles calculations based on density functional theory (DFT). The optimized structural parameters are in good agreement with literature values available. It is found that Al3Zr has the strongest alloying ability and structural stability, while for MgZn2, its structural stability is the worst. The calculated electronic results indicate that covalent bonding is the dominant cohesion of Al3Zr, whereas the fractional ionic interactions coexisting with metallic bonding are found in MgZn2, Al2CuMg and Al2Cu. The elastic constants Cij of these precipitates were calculated, and the bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio and universal elastic anisotropy were derived. It is suggested that MgZn2 is ductile, whereas Al3Zr, Al2CuMg and Al2Cu are brittle, and the elastic anisotropies of them increase in the following sequence: Al3Zr
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NASA Astrophysics Data System (ADS)
Balakrishnan, G.; Sastikumar, D.; Kuppusami, P.; Babu, R. Venkatesh; Song, Jung Il
2018-02-01
Single layer aluminium oxide (Al2O3), zirconium oxide (ZrO2) and Al2O3/ZrO2 nano multilayer films were deposited on Si (100) substrates at room temperature by pulsed laser deposition. The development of Al2O3/ZrO2 nanolayered structure is an important method used to stabilize the high temperature phase (tetragonal and cubic) of ZrO2 at room temperature. In the Al2O3/ZrO2 multilayer structure, the Al2O3 layer was kept constant at 5 nm, while the ZrO2 layer thickness varied from 5 to 20 nm (5/5, 5/10, 5/15 and 5/20 nm) with a total of 40 bilayers. The X-ray diffraction studies of single layer Al2O3 indicated the γ-Al2O3 of cubic structure, while the single layer ZrO2 indicated both monoclinic and tetragonal phases. The 5/5 and 5/10 nm multilayer films showed the nanocrystalline nature of ZrO2 with tetragonal phase. The high resolution transmission electron microscopy studies indicated the formation of well-defined Al2O3 and ZrO2 layers and that they are of uniform thickness. The atomic force microscopy studies revealed the uniform and dense distribution of nanocrystallites. The nanoindentation studies indicated the hardness of 20.8 ± 1.10 and 10 ± 0.60 GPa, for single layer Al2O3 and ZrO2, respectively, and the hardness of multilayer films varied with bilayer thickness.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Bezerra, Débora M.
2017-03-15
Layered double hydroxides are anionic clays with formula [M{sup II}{sub 1−x} M{sup III}{sub x}(OH){sub 2}]{sup q+}[A{sup n−}]{sub q/n}·mH{sub 2}O, finding possible uses as catalyst support, adsorbents and so on. In this paper, we address the phase formation of layered double hydroxides containing Ni{sup 2+}, Zn{sup 2+}, Al{sup 3+} and Zr{sup 4+} cations, namely, NiZn-Al, NiZn-AlZr and NiZn-Zr compositions obtained by the coprecipitation method. Such systems were characterized by X-ray diffraction, confirming the phase formation for NiZn-Al and NiZn-AlZr samples. Infrared and Raman spectroscopies elucidated the anion and water molecules occurrence in the interlayer. Nitrogen physisorption (BET method) determined the presencemore » of pores and specific surface area. The isotherm shapes were Type IV, according to the IUPAC, and represent a mesoporous structure. A morphological study was performed by means of scanning and transmission electron microscopies, and particle size values of 120, 131 and 235 nm for NiZn-Al, NiZn-AlZr and NiZn-Zr, respectively, were determined. Thermogravimetric analysis of the decomposition of the systems revealed that their complete disintegration occurred at ~ 450 °C and resulted in mixed oxides.« less
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NASA Astrophysics Data System (ADS)
Vitanov, P.; Harizanova, A.; Ivanova, T.
2014-05-01
ZrO2 and (ZrO2)x(Al2O3)1-x films were deposited by the sol-gel technique on Si substrates. The effect of the Al2O3 additive on the film surface morphology was studied by atomic force microscopy (AFM). The mixed oxide films showed a smoother morphology and lower values of the root-mean-square (RMS) roughness compared to ZrO2. Further, FTIR spectra indicated that ZrO2 underwent crystallization. The electrical measurements of the MIS structure revealed that the presence of Al2O3 and the amorphization affects its dielectric properties. The MIS structure with (ZrO2)x(Al2O3)1-x showed a lower fixed charge (~ 6×1010 cm-2) and an interface state density in the middle of the band gap of 6×1011 eV-1 cm-2). The dielectric constant measured was 22, with the leakage current density decreasing to 2×10-8 A cm-2 at 1×106 V cm-1.
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NASA Astrophysics Data System (ADS)
Bendersky, L. A.; Wang, K.; Boettinger, W. J.; Newbury, D. E.; Young, K.; Chao, B.
2010-08-01
Solidification microstructure of multicomponent (Zr,Ti)-Ni-(V,Cr,Mn,Co) alloys intended for use as negative electrodes in Ni-metal hydride (Ni-MH) batteries was studied in Part I of this series of articles. Part II of the series examines the complex internal structure of the interdendritic grains formed by solid-state transformation and believed to play an important role in the electrochemical charge/discharge characteristics of the overall alloy composition. By studying one alloy, Zr21Ti12.5V10Cr5.5Mn5.1Co5.0Ni40.2Al0.5Sn0.3, it is shown that the interdendritic grains solidify as a B2 (Ti,Zr)44(Ni,TM)56 phase, and then undergo transformation to Zr7Ni10-type, Zr9Ni11-type, and martensitic phases. The transformations obey orientation relationships between the high-temperature B2 phase and the low-temperature Zr-Ni-type intermetallics, and consequently lead to a multivariant structure. The major orientation relationship for the orthorhombic Zr7Ni10 type is [011]Zr7Ni10//[001]B2; (100)Zr7Ni10//(100)B2. The orientation relationship for the tetragonal Zr9Ni11 type is [001]Zr9Ni11//[001]B2; (130)Zr9Ni11//(100)B2. Binary Ni-Zr and ternary Ti-Ni-Zr phase diagrams were used to rationalize the formation of the observed domain structure.
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Development and fabrication of insulator seals for thermionic diodes
NASA Technical Reports Server (NTRS)
Poirier, V. L.
1972-01-01
Eight different types of cermet seals for thermionic diodes were investigated: (1) 1 micron Al2O3 with Nb spheres; (2) 200 A Al2O3 with Nb spheres; (3) 1 micron Al2O3 with Nb 1% Zr spheres; (4) 200 A Al2O3 with Nb 1% Zr spheres; (5) Pure Y2O3 with Nb 1% Zr spheres; (6) Y2O3 3% ZrO2 with Nb 1% Zr spheres; (7) Y2O3 10% ZrO2 with Nb 1% Zr spheres; and (8) ZrO2 12% Y2O3 with Nb 1% Zr spheres. Investigations were made to determine the most favorable fabrication techniques and the effect of the bonding cycle, (length of bonding time and shutdown sequences). The analysis of the seals included tensile test, vacuum test, electrical test and metallurgical examination. At the conclusion of the development phase, 36 seals were fabricated for delivery for evaluation.
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Band gap tuning of amorphous Al oxides by Zr alloying
DOE Office of Scientific and Technical Information (OSTI.GOV)
Canulescu, S., E-mail: stec@fotonik.dtu.dk; Schou, J.; Jones, N. C.
2016-08-29
The optical band gap and electronic structure of amorphous Al-Zr mixed oxides with Zr content ranging from 4.8 to 21.9% were determined using vacuum ultraviolet and X-ray absorption spectroscopy. The light scattering by the nano-porous structure of alumina at low wavelengths was estimated based on the Mie scattering theory. The dependence of the optical band gap of the Al-Zr mixed oxides on the Zr content deviates from linearity and decreases from 7.3 eV for pure anodized Al{sub 2}O{sub 3} to 6.45 eV for Al-Zr mixed oxides with a Zr content of 21.9%. With increasing Zr content, the conduction band minimum changes non-linearlymore » as well. Fitting of the energy band gap values resulted in a bowing parameter of ∼2 eV. The band gap bowing of the mixed oxides is assigned to the presence of the Zr d-electron states localized below the conduction band minimum of anodized Al{sub 2}O{sub 3}.« less
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Gu, Weixing; Stalzer, Madelyn Marie; Nicholas, Christopher P; Bhattacharyya, Alak; Motta, Alessandro; Gallagher, James R; Zhang, Guanghui; Miller, Jeffrey T; Kobayashi, Takeshi; Pruski, Marek; Delferro, Massimiliano; Marks, Tobin J
2015-06-03
Organozirconium complexes are chemisorbed on Brønsted acidic sulfated ZrO2 (ZrS), sulfated Al2O3 (AlS), and ZrO2-WO3 (ZrW). Under mild conditions (25 °C, 1 atm H2), the supported Cp*ZrMe3, Cp*ZrBz3, and Cp*ZrPh3 catalysts are very active for benzene hydrogenation with activities declining with decreasing acidity, ZrS ≫ AlS ≈ ZrW, arguing that more Brønsted acidic oxides (those having weaker corresponding conjugate bases) yield stronger surface organometallic electrophiles and for this reason have higher benzene hydrogenation activity. Benzene selective hydrogenation, a potential approach for carcinogenic benzene removal from gasoline, is probed using benzene/toluene mixtures, and selectivities for benzene hydrogenation vary with catalyst as ZrBz3(+)/ZrS(-), 83% > Cp*ZrMe2(+)/ZrS(-), 80% > Cp*ZrBz2(+)/ZrS(-), 67% > Cp*ZrPh2(+)/ZrS(-), 57%. For Cp*ZrBz2(+)/ZrS(-), which displays the highest benzene hydrogenation activity with moderate selectivity in benzene/toluene mixtures. Other benzene/arene mixtures are examined, and benzene selectivities vary with arene as mesitylene, 99%, > ethylbenzene, 86% > toluene, 67%. Structural and computational studies by solid-state NMR spectroscopy, XAS, and periodic DFT methods applied to supported Cp*ZrMe3 and Cp*ZrBz3 indicate that larger Zr···surface distances are present in more sterically encumbered Cp*ZrBz2(+)/AlS(-) vs Cp*ZrMe2(+)/AlS(-). The combined XAS, solid state NMR, and DFT data argue that the bulky catalyst benzyl groups expand the "cationic" metal center-anionic sulfated oxide surface distances, and this separation/weakened ion-pairing enables the activation/insertion of more sterically encumbered arenes and influences hydrogenation rates and selectivity patterns.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Gu, Weixing; Stalzer, Madelyn Marie; Nicholas, Christopher P.
Organozirconium complexes are chemisorbed on Brønsted acidic sulfated ZrO 2 (ZrS), sulfated Al 2O 3 (AlS), and ZrO 2–WO 3 (ZrW). Under mild conditions (25 °C, 1 atm H 2), the supported Cp*ZrMe 3, Cp*ZrBz 3, and Cp*ZrPh 3 catalysts are very active for benzene hydrogenation with activities declining with decreasing acidity, ZrS >> AlS ≈ ZrW, arguing that more Brønsted acidic oxides (those having weaker corresponding conjugate bases) yield stronger surface organometallic electrophiles and for this reason have higher benzene hydrogenation activity. Benzene selective hydrogenation, a potential approach for carcinogenic benzene removal from gasoline, is probed using benzene/toluene mixtures,more » and selectivities for benzene hydrogenation vary with catalyst as ZrBz 3 +/ZrS –, 83% > Cp*ZrMe 2 +/ZrS –, 80% > Cp*ZrBz 2 +/ZrS –, 67% > Cp*ZrPh 2 +/ZrS –, 57%. For Cp*ZrBz 2+/ZrS –, which displays the highest benzene hydrogenation activity with moderate selectivity in benzene/toluene mixtures. Other benzene/arene mixtures are examined, and benzene selectivities vary with arene as mesitylene, 99%, > ethylbenzene, 86% > toluene, 67%. Structural and computational studies by solid-state NMR spectroscopy, XAS, and periodic DFT methods applied to supported Cp*ZrMe 3 and Cp*ZrBz 3 indicate that larger Zr···surface distances are present in more sterically encumbered Cp*ZrBz 2 +/AlS – vs Cp*ZrMe 2 +/AlS –. Furthermore, the combined XAS, solid state NMR, and DFT data argue that the bulky catalyst benzyl groups expand the “cationic” metal center–anionic sulfated oxide surface distances, and this separation/weakened ion-pairing enables the activation/insertion of more sterically encumbered arenes and influences hydrogenation rates and selectivity patterns.« less
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Gu, Weixing; Stalzer, Madelyn Marie; Nicholas, Christopher P.; ...
2015-04-17
Organozirconium complexes are chemisorbed on Brønsted acidic sulfated ZrO 2 (ZrS), sulfated Al 2O 3 (AlS), and ZrO 2–WO 3 (ZrW). Under mild conditions (25 °C, 1 atm H 2), the supported Cp*ZrMe 3, Cp*ZrBz 3, and Cp*ZrPh 3 catalysts are very active for benzene hydrogenation with activities declining with decreasing acidity, ZrS >> AlS ≈ ZrW, arguing that more Brønsted acidic oxides (those having weaker corresponding conjugate bases) yield stronger surface organometallic electrophiles and for this reason have higher benzene hydrogenation activity. Benzene selective hydrogenation, a potential approach for carcinogenic benzene removal from gasoline, is probed using benzene/toluene mixtures,more » and selectivities for benzene hydrogenation vary with catalyst as ZrBz 3 +/ZrS –, 83% > Cp*ZrMe 2 +/ZrS –, 80% > Cp*ZrBz 2 +/ZrS –, 67% > Cp*ZrPh 2 +/ZrS –, 57%. For Cp*ZrBz 2+/ZrS –, which displays the highest benzene hydrogenation activity with moderate selectivity in benzene/toluene mixtures. Other benzene/arene mixtures are examined, and benzene selectivities vary with arene as mesitylene, 99%, > ethylbenzene, 86% > toluene, 67%. Structural and computational studies by solid-state NMR spectroscopy, XAS, and periodic DFT methods applied to supported Cp*ZrMe 3 and Cp*ZrBz 3 indicate that larger Zr···surface distances are present in more sterically encumbered Cp*ZrBz 2 +/AlS – vs Cp*ZrMe 2 +/AlS –. Furthermore, the combined XAS, solid state NMR, and DFT data argue that the bulky catalyst benzyl groups expand the “cationic” metal center–anionic sulfated oxide surface distances, and this separation/weakened ion-pairing enables the activation/insertion of more sterically encumbered arenes and influences hydrogenation rates and selectivity patterns.« less
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Miscibility of amorphous ZrO2-Al2O3 binary alloy
NASA Astrophysics Data System (ADS)
Zhao, C.; Richard, O.; Bender, H.; Caymax, M.; De Gendt, S.; Heyns, M.; Young, E.; Roebben, G.; Van Der Biest, O.; Haukka, S.
2002-04-01
Miscibility is a key factor for maintaining the homogeneity of the amorphous structure in a ZrO2-Al2O3 binary alloy high-k dielectric layer. In the present work, a ZrO2/Al2O3 laminate thin layer has been prepared by atomic layer chemical vapor deposition on a Si (100) wafer. This layer, with artificially induced inhomogeneity (lamination), enables one to study the change in homogeneity of the amorphous phase in the ZrO2/Al2O3 system during annealing. High temperature grazing incidence x-ray diffraction (HT-XRD) was used to investigate the change in intensity of the constructive interference peak of the x-ray beams which are reflected from the interfaces of ZrO2/Al2O3 laminae. The HT-XRD spectra show that the intensity of the peak decreases with an increase in the anneal temperature, and at 800 °C, the peak disappears. The same samples were annealed by a rapid thermal process (RTP) at temperatures between 700 and 1000 °C for 60 s. Room temperature XRD of the RTP annealed samples shows a similar decrease in peak intensity. Transmission electronic microscope images confirm that the laminate structure is destroyed by RTP anneals and, just below the crystallization onset temperature, a homogeneous amorphous ZrAlxOy phase forms. The results demonstrate that the two artificially separated phases, ZrO2 and Al2O3 laminae, tend to mix into a homogeneous amorphous phase before crystallization. This observation indicates that the thermal stability of ZrO2-Al2O3 amorphous phase is suitable for high-k applications.
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NASA Astrophysics Data System (ADS)
Huang, Mian; Shoji, Mao; Shen, Yang; Nan, Ce-Wen; Munakata, Hirokazu; Kanamura, Kiyoshi
2014-09-01
Li7La3Zr2O12 (LLZ) solid electrolytes with Zr site partially substituted by Ta and Nb elements were prepared via the conventional solid-state reaction. All the compositions could lead to the cubic garnet-type structure after sintering at 1150 °C. The use of γ-Al2O3 as a sintering aid in the preparation of doped LLZ was studied. It was shown that Al could help to improve the micro-structure for Nb doping, but not necessary for Ta doping. The Ta and Nb doping enhanced the ionic conductivity at 25 °C to 4.09 × 10-4 S cm-1 and 4.50 × 10-4 S cm-1, respectively. A conductivity as high as 1.23 × 10-3 S cm-1 was obtained when measured at 50 °C in air for the Nb-doped LLZ. All-solid-state batteries with LLZTa and LLZNb solid electrolytes were assembled and tested. The cyclic voltammetry (CV) measurement indicated the successful working of the batteries.
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Insight into Oxide-Bridged Heterobimetallic Al/Zr Olefin Polymerization Catalysts.
Boulho, Cédric; Zijlstra, Harmen S; Hofmann, Alexander; Budzelaar, Peter H M; Harder, Sjoerd
2016-11-21
Reaction of (TBBP)AlMe⋅THF with [Cp* 2 Zr(Me)OH] gave [(TBBP)Al(THF)-O-Zr(Me)Cp* 2 ] (TBBP=3,3',5,5'-tetra-tBu-2,2'-biphenolato). Reaction of [DIPPnacnacAl(Me)-O-Zr(Me)Cp 2 ] with [PhMe 2 NH] + [B(C 6 F 5 ) 4 ] - gave a cationic Al/Zr complex that could be structurally characterized as its THF adduct [(DIPPnacnac)Al(Me)-O-Zr(THF)Cp 2 ] + [B(C 6 F 5 ) 4 ] - (DIPPnacnac=HC[(Me)C=N(2,6-iPr 2 -C 6 H 3 )] 2 ). The first complex polymerizes ethene in the presence of an alkylaluminum scavenger but in the absence of methylalumoxane (MAO). The adduct cation is inactive under these conditions. Theoretical calculations show very high energy barriers (ΔG=40-47 kcal mol -1 ) for ethene insertion with a bridged AlOZr catalyst. This is due to an unfavorable six-membered-ring transition state, in which the methyl group bridges the metal and ethene with an obtuse metal-Me-C angle that prevents synchronized bond-breaking and making. A more-likely pathway is dissociation of the Al-O-Zr complex into an aluminate and the active polymerization catalyst [Cp* 2 ZrMe] + . © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
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NASA Astrophysics Data System (ADS)
Pourkhorshid, E.; Enayati, M. H.; Sabooni, S.; Karimzadeh, F.; Paydar, M. H.
2017-08-01
Bulk Al/Al3Zr composite was prepared by a combination of mechanical alloying (MA) and hot extrusion processes. Elemental Al and Zr powders were milled for up to 10 h and heat treated at 600°C for 1 h to form stable Al3Zr. The prepared Al3Zr powder was then mixed with the pure Al powder to produce an Al-Al3Zr composite. The composite powder was finally consolidated by hot extrusion at 550°C. The mechanical properties of consolidated samples were evaluated by hardness and tension tests at room and elevated temperatures. The results show that annealing of the 10-h-milled powder at 600°C for 1 h led to the formation of a stable Al3Zr phase. Differential scanning calorimetry (DSC) results confirmed that the formation of Al3Zr began with the nucleation of a metastable phase, which subsequently transformed to the stable tetragonal Al3Zr structure. The tension yield strength of the Al-10wt%Al3Zr composite was determined to be 103 MPa, which is approximately twice that for pure Al (53 MPa). The yield stress of the Al/Al3Zr composite at 300°C is just 10% lower than that at room temperature, which demonstrates the strong potential for the prepared composite to be used in high-temperature structural applications.
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NASA Astrophysics Data System (ADS)
Farges, Franã§Ois; Ponader, Carl W.; Brown, Gordon E., Jr.
1991-06-01
The structural environments of trace levels (2˜000 ppm) of Zr 4+ in several silicate glasses were examined as a function of melt composition and polymerization using Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. Glass compositions investigated were albite (NaAlSi 3O 8: AB) and a peralkaline composition (Na 3.3AlSi 7O 17: PR)- Zirconium was added to the oxide-carbonate mix prior to melting in the form of ZrO 2 (baddeleyite). A second set of Zr-silicate glasses containing 2000 ppm Zr and 1.0 to 2.4 wt% halogens (F as NaF and Cl as NaCl) was also synthesized. These included the Zr-AB and Zr-PR base-glass compositions as well as Zr-sodium trisilicate composition (Na2Si 3O 7: TS). In all glasses studied, Zr is mainly 6-coordinated by oxygen atoms ( d[Zr-O] ˜2.07 ± 0.01 Å). In the most polymerized glass (AB), a small but significant amount of Zr was also found to occur in 8-coordinated sites ( d[Zr-O] ˜2.22 Å). No clear evidence for F or Cl complexes of Zr was observed in any of the halogen-containing glasses. The regularity of the Zr site increases in the series AB < TS ˜PR. We attribute this change to an increase in the number of non-bridging oxygens in the first-coordination sphere of Zr related to the depolymerizing effects of halogens and/or sodium. Minor but significant interactions of Zr with the tetrahedral network were observed ( d[Zr-{Si, Al}] ˜3.65-3.71 Å ± 0.03 Å), which are consistent with Zr-O-{Si, Al} angles close to 160-170°, as in catapleiite (Na 2ZrSi 3O 9 · 2H 2O). Intermediaterange order, as reflected by the presence and number of second-neighbor {Si, Al} around Zr, increases significantly with increasing melt polymerization. The local environment around Zr is more strongly influenced by bonding requirements than by the network topology of the melt. Stabilization of zirconium in 6-coordinated sites in relatively depolymerized melts should act to decrease the crystal-melt partition coefficients of Zr and may explain the normally incompatible character of Zr during magmatic differentiation. The presence of Zr in sites of higher coordination (ZrO 8) in highly polymerized melts could be a precursor to the crystallization of zircon from such melts and thus may explain why Zr becomes a more compatible element, especially in the latest stages of magmatic differentiation.
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Williams, Linda A.; Guo, Neng; Motta, Alessandro; Delferro, Massimiliano; Fragalà, Ignazio L.; Miller, Jeffrey T.; Marks, Tobin J.
2013-01-01
Structural characterization of the catalytically significant sites on solid catalyst surfaces is frequently tenuous because their fraction, among all sites, typically is quite low. Here we report the combined application of solid-state 13C-cross-polarization magic angle spinning nuclear magnetic resonance (13C-CPMAS-NMR) spectroscopy, density functional theory (DFT), and Zr X-ray absorption spectroscopy (XAS) to characterize the adsorption products and surface chemistry of the precatalysts (η5-C5H5)2ZrR2 (R = H, CH3) and [η5-C5(CH3)5]Zr(CH3)3 adsorbed on Brønsted superacidic sulfated alumina (AlS). The latter complex is exceptionally active for benzene hydrogenation, with ∼100% of the Zr sites catalytically significant as determined by kinetic poisoning experiments. The 13C-CPMAS-NMR, DFT, and XAS data indicate formation of organozirconium cations having a largely electrostatic [η5-C5(CH3)5]Zr(CH3)2+···AlS− interaction with greatly elongated Zr···OAlS distances of ∼2.35(2) Å. The catalytic benzene hydrogenation cycle is stepwise understandable by DFT, and proceeds via turnover-limiting H2 delivery to surface [η5-C5(CH3)5]ZrH2(benzene)+···AlS− species, observable by solid-state NMR and XAS. PMID:23269836
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Lapauw, Thomas; Tytko, Darius; Vanmeensel, Kim; Huang, Shuigen; Choi, Pyuck-Pa; Raabe, Dierk; Caspi, El'ad N; Ozeri, Offir; To Baben, Moritz; Schneider, Jochen M; Lambrinou, Konstantina; Vleugels, Jozef
2016-06-06
The solubility of zirconium (Zr) in the Nb4AlC3 host lattice was investigated by combining the experimental synthesis of (Nbx, Zr1-x)4AlC3 solid solutions with density functional theory calculations. High-purity solid solutions were prepared by reactive hot pressing of NbH0.89, ZrH2, Al, and C starting powder mixtures. The crystal structure of the produced solid solutions was determined using X-ray and neutron diffraction. The limited Zr solubility (maximum of 18.5% of the Nb content in the host lattice) in Nb4AlC3 observed experimentally is consistent with the calculated minimum in the energy of mixing. The lattice parameters and microstructure were evaluated over the entire solubility range, while the chemical composition of (Nb0.85, Zr0.15)4AlC3 was mapped using atom probe tomography. The hardness, Young's modulus, and fracture toughness at room temperature as well as the high-temperature flexural strength and E-modulus of (Nb0.85, Zr0.15)4AlC3 were investigated and compared to those of pure Nb4AlC3. Quite remarkably, an appreciable increase in fracture toughness was observed from 6.6 ± 0.1 MPa/m(1/2) for pure Nb4AlC3 to 10.1 ± 0.3 MPa/m(1/2) for the (Nb0.85, Zr0.15)4AlC3 solid solution.
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NASA Astrophysics Data System (ADS)
Lutfi Anis, Ahmad; Ramli, Rosmamuhammadani; Darham, Widyani; Zakaria, Azlan; Talari, Mahesh Kumar
2016-02-01
Conventional Al-Cu alloys exhibit coarse grain structure leading to inferior mechanical properties in as-cast condition. Expensive thermo-mechanical treatments are needed to improve microstructure and corresponding mechanical properties. In situ Al-based composites were developed to improve mechanical properties by dispersion strengthening and grain refinement obtained by the presence of particulates in the melt during solidification. In this work Al-4Cu - 3TiB2 and Al-4Cu-3ZrB2 in situ composites were prepared by liquid casting method. XRD, electron microscopy and mechanical tests were performed on suitably sectioned and metallographically prepared surfaces to investigate the phase distribution, hardness and tensile properties. It was found that the reinforcement particles were segregated along the grain boundaries of Al dendrites. Tensile fracture morphology for both Al-4Cu - 3TiB2 and Al-4Cu-3ZrB2 were analyzed and compared to determine the fracture propagation mechanism in the composites. Al-4Cu-3ZrB2 in situ composites displayed higher strength and hardness compared to Al-4Cu-3TiB2 which could be ascribed to the stronger interfacial bonding between the Al dendrites and ZrB2 particulates as evidenced from fractographs.
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Formation of high heat resistant coatings by using gas tunnel type plasma spraying.
Kobayashi, A; Ando, Y; Kurokawa, K
2012-06-01
Zirconia sprayed coatings are widely used as thermal barrier coatings (TBC) for high temperature protection of metallic structures. However, their use in diesel engine combustion chamber components has the long run durability problems, such as the spallation at the interface between the coating and substrate due to the interface oxidation. Although zirconia coatings have been used in many applications, the interface spallation problem is still waiting to be solved under the critical conditions such as high temperature and high corrosion environment. The gas tunnel type plasma spraying developed by the author can make high quality ceramic coatings such as Al2O3 and ZrO2 coating compared to other plasma spraying method. A high hardness ceramic coating such as Al2O3 coating by the gas tunnel type plasma spraying, were investigated in the previous study. The Vickers hardness of the zirconia (ZrO2) coating increased with decreasing spraying distance, and a higher Vickers hardness of about Hv = 1200 could be obtained at a shorter spraying distance of L = 30 mm. ZrO2 coating formed has a high hardness layer at the surface side, which shows the graded functionality of hardness. In this study, ZrO2 composite coatings (TBCs) with Al2O3 were deposited on SS304 substrates by gas tunnel type plasma spraying. The performance such as the mechanical properties, thermal behavior and high temperature oxidation resistance of the functionally graded TBCs was investigated and discussed. The resultant coating samples with different spraying powders and thickness are compared in their corrosion resistance with coating thickness as variables. Corrosion potential was measured and analyzed corresponding to the microstructure of the coatings. High Heat Resistant Coatings, Gas Tunnel Type Plasma Spraying, Hardness,
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First-principles study on stability, and growth strategies of small AlnZr (n=1-9) clusters
NASA Astrophysics Data System (ADS)
Li, Zhi; Zhou, Zhonghao; Wang, Hongbin; Li, Shengli; Zhao, Zhen
2016-09-01
The geometries, relative stability as well as growth strategies of the AlnZr (n=1-9) clusters are investigated with spin polarized density functional theory: BLYP. The results reveal that the AlnZr clusters are more likely to form the dense accumulation structures than the AlN (N=1-10) clusters. The average binding energies of AlnZr are higher than those of AlN clusters. The AlnZr (n=3, 5, and 7) clusters are more stable than others by the differences of the total binding energies. Mülliken population analysis for the AlnZr clusters shows that the electron's adsorption ability of Zr is slightly lower than that of Al except for AlZr cluster. Local peaks of the HOMO-LUMO gap curve are found at n=3, 5, and 7. The reaction energies of AlnZr are higher, which means that AlnZr clusters are easier to react with Al clusters. Zr atom preferential reacts with Al2 cluster. Local peaks of the magnetic dipole moments are found at n=2, 5, and 8.
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NASA Technical Reports Server (NTRS)
Chellman, D. J.
1984-01-01
The objective of the present investigation was to improve the strength and fracture toughness combination of P/M 2124 Al alloys in accordance with NASA program goals for damage tolerance and fatigue resistance. Two (2) P/M compositions based on Al-3.70 Cu-1.85 Mg-0.20 Mn with 0.12 and 0.60 wt. pct. Zr were selected for investigation. The rapid solidification rates produced by atomization were observed to prohibit the precipitation of coarse, primary Al3Zr in both alloys. A major portion of the Zr precipitated as finely distributed, coherent Al3Zr phases during vacuum preheating and solution heat treatment. The proper balance between Cu and Mg contents eliminated undissolved, soluble constituents such as Al2CuMg and Al2Cu during atomization. The resultant extruded microstructures produced a unique combination of strength and fracture toughness. An increase in the volume fraction of coherent Al3Zr, unlike incoherent Al20Cu2Mn3 dispersoids, strengthened the P/M Al base alloy either directly by dislocation-precipitate interactions, indirectly by a retardation of recrystallization, or a combination of both mechanisms. Furthermore, coherent Al3Zr does not appear to degrade toughness to the extent that incoherent Al20Cu2Mn3 does. Consequently, the addition of 0.60 wt. pct. Zr to the base alloy, incorporated with a 774K (935 F) solution heat treatment temperature, produces an alloy which exceeds all tensile property and fracture toughness goals for damage tolerant and fatigue resistant applications in the naturally aged condition.
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Atom probe tomographic studies of precipitation in Al-0.1Zr-0.1Ti (at.%) alloys.
Knipling, Keith E; Dunand, David C; Seidman, David N
2007-12-01
Atom probe tomography was utilized to measure directly the chemical compositions of Al(3)(Zr(1)-(x)Ti(x)) precipitates with a metastable L1(2) structure formed in Al-0.1Zr-0.1Ti (at.%) alloys upon aging at 375 degrees C or 425 degrees C. The alloys exhibit an inhomogeneous distribution of Al(3)(Zr(1)-(x)Ti(x)) precipitates, as a result of a nonuniform dendritic distribution of solute atoms after casting. At these aging temperatures, the Zr:Ti atomic ratio in the precipitates is about 10 and 5, respectively, indicating that Ti remains mainly in solid solution rather than partitioning to the Al(3)(Zr(1)-(x)Ti(x)) precipitates. This is interpreted as being due to the very small diffusivity of Ti in alpha-Al, consistent with prior studies on Al-Sc-Ti and Al-Sc-Zr alloys, where the slower diffusing Zr and Ti atoms make up a small fraction of the Al(3)(Zr(1)-(x)Ti(x)) precipitates. Unlike those alloys, however, the present Al-Zr-Ti alloys exhibit no interfacial segregation of Ti at the matrix/precipitate heterophase interface, a result that may be affected by a significant disparity in the evaporation fields of the alpha-Al matrix and Al(3)(Zr(1)-(x)Ti(x)) precipitates and/or a lack of local thermodynamic equilibrium at the interface.
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NASA Astrophysics Data System (ADS)
Xu, Haidi; Liu, Shuang; Wang, Yun; Lin, Qingjin; Lin, Chenlu; Lan, Li; Wang, Qin; Chen, Yaoqiang
2018-01-01
Hydrothermal stability of catalysts for selective catalytic reduction of NOx with NH3 (NH3-SCR) has always been recognized as a challenge in development of candidate catalysts for applications in diesel engine emissions. In this study, Al2O3 was introduced into CeO2-ZrO2 to improve the NH3-SCR activity of WO3/CeO2-ZrO2 after hydrothermal aging (HA) treatment at 800 °C for 12 h. The activity results indicated that the NH3-SCR activity of WO3/CeO2-ZrO2-HA was obviously improved in the whole reaction temperature range after doping Al2O3 into CeO2-ZrO2, for example, the average and maximum NOx conversion were separately increased by ca. 20% and 25% after HA treatment. XRD, Raman, TEM and EDX results revealed that the introduction of Al2O3 inhibited the sintering and agglomeration of CeO2-ZrO2 and WO3 and the formation of Ce2(WO4)3 after HA treatment. Accordingly, WO3/CeO2-ZrO2-Al2O3-HA showed remarkably improved structural stability and reducibility, increased surface acidity, and facilitated the reactivity between adsorbed NH3 and nitrate species, which together contributed to its better catalytic performance after hydrothermal aging treatment.
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Development of sputtered techniques for thrust chambers
NASA Technical Reports Server (NTRS)
Mullaly, J. R.; Hecht, R. J.; Schmid, T. E.; Torrey, C. T.
1975-01-01
Techniques and materials were developed and evaluated for the fabrication and coating of advanced, long life, regeneratively cooled thrust chambers. Materials were analyzed as fillers for sputter application of OFHC copper as a closeout layer to channeled inner structures; of the materials evaluated, aluminum was found to provide the highest bond strength and to be the most desirable for chamber fabrication. The structures and properties were investigated of thick sputtered OFHC copper, 0.15 Zr-Cu, Al2O3,-Cu, and SiC-Cu. Layered structures of OFHC copper and 0.15 Zr-Cu were investigated as means of improving chamber inner wall fatigue life. The evaluation of sputtered Ti-5Al-2.5Sn, NASA IIb-11, aluminum and Al2O3-Al alloys as high strength chamber outer jackets was performed. Techniques for refurbishing degraded thrust chambers with OFHC copper and coating thrust chambers with protective ZrO2 and graded ZrO2-copper thermal barrier coatings were developed.
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Crystal structures of the new ternary stannides La3Mg4-xSn2+x and LaMg3-xSn2
NASA Astrophysics Data System (ADS)
Solokha, P.; De Negri, S.; Minetti, R.; Proserpio, D. M.; Saccone, A.
2016-01-01
Synthesis and structural characterization of the two new lanthanum-magnesium-stannides La3Mg4-xSn2+x (0.12≤x≤0.40) and LaMg3-xSn2 (0.33≤x≤0.78) are reported. The crystal structures of these intermetallics were determined by single crystal X-ray diffraction analysis and confirmed by Rietveld refinement of powder X-ray diffraction patterns of the corresponding samples. The La3Mg4-xSn2+x phase crystallizes in the hexagonal Zr3Cu4Si2 structure type (P6bar2m, hP9, Z=3, x=0.12(1), a=7.7974(7), c=4.8384(4) Å), which represents an ordered derivative of the hP9-ZrNiAl prototype, ubiquitous among equiatomic intermetallics. The LaMg3-xSn2 phase is the second representative of the trigonal LaMg3-xGe2 type, which is a superstructure of the LaLi3Sb2 structure type (P3bar1c, hP34-0.12, Z=6, x=0.35(1), a=8.3222(9), c=14.9546(16) Å). The scheme describing the symmetry reduction/coloring with respect to the parent type is reported here with the purpose to discuss the LaMg3-xSn2 off-stoichiometry from the geometrical point of view. Structural relationships between the La-Mg-Sn ternary phases, including the already known equiatomic LaMgSn compound (oP12-TiNiSi), are presented in the framework of the AlB2-related compounds family and discussed with the aid of group-subgroup relations in the Bärnighausen formalism.
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Medium-range structure and glass forming ability in Zr–Cu–Al bulk metallic glasses
Zhang, Pei; Maldonis, Jason J.; Besser, M. F.; ...
2016-03-05
Fluctuation electron microscopy experiments combined with hybrid reverse Monte Carlo modeling show a correlation between medium-range structure at the nanometer scale and glass forming ability in two Zr–Cu–Al bulk metallic glass (BMG) alloys. Both Zr 50Cu 35Al 15 and Zr 50Cu 45Al 5 exhibit two nanoscale structure types, one icosahedral and the other more crystal-like. In Zr 50Cu 35Al 15, the poorer glass former, the crystal-like structure is more stable under annealing below the glass transition temperature, T g, than in Zr 50Cu 45Al 5. Variable resolution fluctuation microscopy of the MRO clusters show that in Zr 50Cu 35Al 15more » on sub-Tg annealing, the crystal-like clusters shrink even as they grow more ordered, while icosahedral-like clusters grow. Furthermore, the results suggest that achieving better glass forming ability in this alloy system may depend more on destabilizing crystal-like structures than enhancing non-crystalline structures.« less
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NASA Technical Reports Server (NTRS)
Barrett, C. A.
1988-01-01
The long time effect of 0.1 at percent Zr (0.2 wt percent Zr) on the cyclic oxidation behavior of hipped beta-NiAl was studied. Oxidation testing was performed in static air at 1200 C for up to 3000 one-hour exposure cycles. Specific weight change versus time data was modeled with the COSP computer program to analyze cyclic oxidation behavior. The Zr-free stoichiometric alloy oxidized and spalled randomly to bare metal between cycles at a rate high enough to deplete Al to a low enough level that oxidation breakaway took place as nonprotective NiO replaced the alpha-Al2O3/NiAl2O4 scale as the controlling oxide. The Zr minimized this severe type of spalling maintaining the protective alpha-Al2O3 scale even out to 3000 hours for the stoichiometric alloy with no significant Al depletion. A third beta-NiAl alloy containing 0.1 at percent Zr but with 10 percent less Al than the stoichiometric alloy was also tested and showed some depletion of Al, but the protective Al2O3/NiAl2O4 was still maintained to close to 2700 hours.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Wang, Weiyan; Wu, Kui; Liu, Pengli
2016-07-20
ZrO 2-Al 2O 3 and CeO 2-Al 2O 3 were prepared by a co-precipitation method and selected as supports for Pt catalysts. The effects of CeO 2 and ZrO 2 on the surface area and Brønsted acidity of Pt/Al 2O 3 were studied. In the hydrodeoxygenation (HDO) of p-cresol, the addition of ZrO 2 promoted the direct deoxygenation activity on Pt/ZrOO 2-Al 2O 3 via Caromatic-O bond scission without benzene ring saturation. Pt/CeOO 2-Al 2O 3 exhibited higher deoxygenation extent than Pt/Al 2O 3 due to the fact that Brønsted acid sites on the catalyst surface favored the adsorption ofmore » p-cresol. With the advantages of CeO 2 and ZrO 2 taken into consideration, CeO 2-ZrOO 2-Al 2O 3 was prepared, leading to the highest HDO activity of Pt/CeO 2-ZrOO 2-Al 2O 3. The deoxygenation extent for Pt/CeO 2-ZrOO 2-Al 2O 3 was 48.4% and 14.5% higher than that for Pt/ZrO2O 2-Al 2O 3 and Pt/CeOO 2-Al 2O 3, respectively.« less
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NASA Astrophysics Data System (ADS)
Golovin, I. S.; Bychkov, A. S.; Mikhailovskaya, A. V.; Dobatkin, S. V.
2014-02-01
The effects of the processes of severe plastic deformation (SPD), recrystallization, and precipitation of the β phase in multicomponent alloys of the Al-5Mg-Mn-Cr and Al-(4-5%)Mg-Mn-Zn-Sc systems on the mechanisms of grain-boundary relaxation and dislocation-induced microplasticity have been studied in some detail. To stabilize the ultrafine-grained structure and prevent grain growth, dispersed Al-transition-metal particles, such as Al3Zr, Al6Mn, Al7Cr, Al6(Mn,Cr), Al18Cr2Mg3 have been used. We have special interest in alloys with additions of scandium, which forms compounds of the Al3Sc type and favors the precipitation of finer particles compared to the aluminides of other transition metals. After SPD, Al-(4-5%)Mg-Mn-Zr-Sc alloys exhibit an enhanced recrystallization temperature. The general features of the dislocation and grain-boundary anelasticity that have been established for the binary Al-Mg alloys are retained; i.e., (1) the decrease in the dislocation density in the process of recrystallization of cold-worked alloys leads to the formation of a pseudo-peak in the curves of the temperature dependences of internal friction (TDIF) and to a decrease in the critical amplitude of deformation corresponding to the onset of dislocation motion in a stress field; (2) the precipitation of the β phase suppresses the grain-boundary relaxation; (3) the dissolution of the β phase, the passage of the magnesium atoms into the solid solution, and the precipitation of the β' phase upon heating hinder the motion of dislocations; (4) the coarsening of the highly dispersed particles containing Zr and Sc increases the dislocation mobility. The grain-boundary relaxation and dislocation-impurity interaction and their temperature dependences, as well as processes of the additional alloying of the binary alloys by Mn, Cr, Zr, and Sc, have been estimated quantitatively.
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Effect of Er3+ concentration on the luminescence properties of Al2O3-ZrO2 powder
NASA Astrophysics Data System (ADS)
Clabel H., J. L.; Rivera, V. A. G.; Nogueira, I. C.; Leite, E. R.; Siu Li, M.; Marega, E.
2016-12-01
This manuscript reports on the effects of the luminescence properties of Er3+ on Al2O3-ZrO2 powder synthesized by the conventional solid-state method. The best conditions found for the calcinations were 1500 °C and 4 h. The structural dependence of the luminescence on Er3+:Al2O3-ZrO2 is associated with phase transformations of the Al2O3-ZrO2 host and presence of the OH group. Green and red emissions at room temperature from the 2H11/2, 4S3/2 → 4I15/2 and 4F9/2 → 4I15/2 levels of Er3+ ions were observed under 482 nm pumping. The green-to-red emission intensity ratios and CIE chromaticity coordinates were determined from emission spectra for the evaluation of light emitted as a function of the Er3+ concentration. The Er3+ luminescence quenching due to group OH and variation in the Er3+ concentration plays an important role in the definition of the luminescent response.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhang, Pei; Maldonis, Jason J.; Besser, M. F.
Fluctuation electron microscopy experiments combined with hybrid reverse Monte Carlo modeling show a correlation between medium-range structure at the nanometer scale and glass forming ability in two Zr–Cu–Al bulk metallic glass (BMG) alloys. Both Zr 50Cu 35Al 15 and Zr 50Cu 45Al 5 exhibit two nanoscale structure types, one icosahedral and the other more crystal-like. In Zr 50Cu 35Al 15, the poorer glass former, the crystal-like structure is more stable under annealing below the glass transition temperature, T g, than in Zr 50Cu 45Al 5. Variable resolution fluctuation microscopy of the MRO clusters show that in Zr 50Cu 35Al 15more » on sub-Tg annealing, the crystal-like clusters shrink even as they grow more ordered, while icosahedral-like clusters grow. Furthermore, the results suggest that achieving better glass forming ability in this alloy system may depend more on destabilizing crystal-like structures than enhancing non-crystalline structures.« less
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Wang, Yuxing; Yan, Pengfei; Xiao, Jie
It is widely recognized that Al plays a dual role in the fabrication of garnet-type solid electrolytes, i.e., as a dopant that stabilizes the cubic structure and a sintering aid that facilitates the densification. However, the sintering effect of Al2O3 has not been well understood so far because Al is typically “unintentionally” introduced into the sample from the crucible during the fabrication process. In this study, we have investigated the sintering effect of Al on the phase composition, microstructure, and ionic conductivity of Li6.5La3Zr1.5Ta0.5O12 by using an Al-free crucible and intentionally adding various amounts of γ-Al2O3. It was found thatmore » the densification of Li6.5La3Zr1.5Ta0.5O12 occurred via liquid-phase sintering, with evidence of morphology change among different compositions. Among all of the compositions, samples with 0.05 mol of Al per unit formula of garnet oxide (i.e., 0.3 wt% Al2O3) exhibited the optimal microstructure and the highest total ionic conductivity of 5 10-4 S cm-1 at room temperature.« less
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Comparing the Thermodynamic Behaviour of Al(1)+ZrO2(s) to Al(1)+Al2O3(s)
NASA Technical Reports Server (NTRS)
Copland, Evan
2004-01-01
In an effort to better determine the thermodynamic properties of Al(g) and Al2O(g). the vapor in equilibrium with Al(l)+ZrO2(s) was compared to the vapor in equilibrium with Al(l)+Al2O3(s) over temperature range 1197-to-1509K. The comparison was made directly by Knudsen effusion-cell mass spectrometry with an instrument configured for a multiple effusion-cell vapor source (multi-cell KEMS). Second law enthalpies of vaporization of Al(g) and Al2O(g) together with activity measurements show that Al(l)+ZrO2(s) is thermodynamically equivalent to Al(l)+Al2O3(s), indicating Al(l) remained pure and Al2O3(s) was present in the ZrO2-cell. Subsequent observation of the Al(l)/ZrO2 and vapor/ZrO2 interfaces revealed a thin Al2O3-layer had formed, separating the ZrO2-cell from Al(l) and Al(g)+Al2O(g), effectively transforming it into an Al2O3 effusion-cell. This behavior agrees with recent observations made for Beta-NiAl(Pt) alloys measured in ZrO2 effusion-cell.
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Huang, Yuxiang; Huang, Li; Wang, C. Z.; ...
2016-02-01
Comparative analysis between Zr-rich Zr 50Cu 45Al 5 and Cu-rich Cu 50Zr 45Al 5 metallic glasses (MGs) is extensively performed to locate the key structural motifs accounting for their difference of glass forming ability. Here we adopt ab initio molecular dynamics simulations to investigate the local atomic structures of Zr 50Cu 45Al 5 and Cu 50Zr 45Al 5 MGs. A high content of icosahedral-related (full and distorted) orders was found in both samples, while in the Zr-rich MG full icosahedrons < 0,0,12,0 > is dominant, and in the Cu-rich one the distorted icosahedral orders, especially < 0,2,8,2 > and
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NASA Astrophysics Data System (ADS)
Huang, Yuxiang; Huang, Li; Wang, C. Z.; Kramer, M. J.; Ho, K. M.
2016-03-01
Comparative analysis between Zr-rich Zr50Cu45Al5 and Cu-rich Cu50Zr45Al5 metallic glasses (MGs) is extensively performed to locate the key structural motifs accounting for their difference of glass forming ability. Here we adopt ab initio molecular dynamics simulations to investigate the local atomic structures of Zr50Cu45Al5 and Cu50Zr45Al5 MGs. A high content of icosahedral-related (full and distorted) orders was found in both samples, while in the Zr-rich MG full icosahedrons < 0,0,12,0> is dominant, and in the Cu-rich one the distorted icosahedral orders, especially < 0,2,8,2> and < 0,2,8,1> , are prominent. And the < 0,2,8,2> polyhedra in Cu50Zr45Al5 MG mainly originate from Al-centered clusters, while the < 0,0,12,0> in Zr50Cu45Al5 derives from both Cu-centered clusters and Al-centered clusters. These difference may be ascribed to the atomic size difference and chemical property between Cu and Zr atoms. The relatively large size of Zr and large negative heat of mixing between Zr and Al atoms, enhancing the packing density and stability of metallic glass system, may be responsible for the higher glass forming ability of Zr50Cu45Al5.
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Alling, B.; Högberg, H.; Armiento, R.; Rosen, J.; Hultman, L.
2015-01-01
Transition metal diborides are ceramic materials with potential applications as hard protective thin films and electrical contact materials. We investigate the possibility to obtain age hardening through isostructural clustering, including spinodal decomposition, or ordering-induced precipitation in ternary diboride alloys. By means of first-principles mixing thermodynamics calculations, 45 ternary M11–xM2xB2 alloys comprising MiB2 (Mi = Mg, Al, Sc, Y, Ti, Zr, Hf, V, Nb, Ta) with AlB2 type structure are studied. In particular Al1–xTixB2 is found to be of interest for coherent isostructural decomposition with a strong driving force for phase separation, while having almost concentration independent a and c lattice parameters. The results are explained by revealing the nature of the electronic structure in these alloys, and in particular, the origin of the pseudogap at EF in TiB2, ZrB2, and HfB2. PMID:25970763
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Correlative characterization of primary Al{sub 3}(Sc,Zr) phase in an Al–Zn–Mg based alloy
DOE Office of Scientific and Technical Information (OSTI.GOV)
Li, J.H., E-mail: jie-hua.li@hotmail.com; Wiessner, M.; Albu, M.
2015-04-15
Three-dimensional electron backscatter diffraction, focused ion beam, transmission electron microscopy and energy filtered transmission electron microscopy were employed to investigate the structural information of primary Al{sub 3}(Sc,Zr) phase, i.e. size, shape, element distribution and orientation relationship with the α-Al matrix. It was found that (i) most primary Al{sub 3}(Sc,Zr) phases have a cubic three-dimensional morphology, with a size of about 6–10 μm, (ii) most primary Al{sub 3}(Sc,Zr) phases are located within the α-Al matrix, and exhibit a cube to cube orientation relationship with the α-Al matrix, and (iii) a layer by layer growth was observed within primary Al{sub 3}(Sc,Zr) phases.more » Al, Cu, Si and Fe are enriched in the α-Al matrix between the layers of cellular eutectic Al{sub 3}(Sc,Zr) phase, while Sc, Ti and Zr are enriched in small Al{sub 3}(Sc,Zr) phases. A peritectic reaction and subsequent eutectic reaction between Al{sub 3}Sc and Al was proposed to interpret the observed layer by layer growth. This paper demonstrates that the presence of impurities (Fe, Si, Cu, Ti) in the diffusion field surrounding the growing Al{sub 3}(Sc,Zr) particle enhances the heterogeneous nucleation of Al{sub 3}(Sc,Zr) phases. - Highlights: • Most fine cubic primary Al{sub 3}(Sc,Zr) phases were observed within the α-Al matrix. • A layer by layer growth within primary Al{sub 3}(Sc,Zr) phase was observed. • A peritectic and subsequent eutectic reaction between Al{sub 3}Sc and Al was proposed. • Impurities in diffusion fields enhance heterogeneous nucleation of Al{sub 3}(Sc,Zr)« less
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NASA Astrophysics Data System (ADS)
Liu, Yuhua; Hu, Jiandong; Shen, Ping; Guo, Zuoxing; Liu, Huijie
2013-09-01
ZrO2 was brazed to Ti-6Al-4V using a Zr55Cu30Al10Ni5 (at.%) amorphous filler in a high vacuum at 1173-1273 K. The influences of brazing temperature, holding time, and cooling rate on the microstructure and shear strength of the joints were investigated. The interfacial microstructures can be characterized as ZrO2/ZrO2- x + TiO/(Zr,Ti)2(Cu,Ni)/(Zr,Ti)2(Cu,Ni,Al)/acicular Widmanstäten structure/Ti-6Al-4V. With the increase in the brazing temperature, both the thickness of the ZrO2- x + TiO layer and the content of the (Zr,Ti)2(Cu,Ni) phase decreased. However, the acicular Widmanstäten structure gradually increased. With the increase in the holding time, the (Zr,Ti)2(Cu,Ni) phase decreased, and the thickness of the (Zr,Ti)2(Cu,Ni) + (Zr,Ti)2(Cu,Ni,Al) layer decreased. In addition, cracks formed adjacent to the ZrO2 side under rapid cooling. The microstructures produced under various fabrication parameters directly influence the shear strength of the joints. When ZrO2 and Ti-6Al-4V couples were brazed at 1173 K for 10 min and then cooled at a rate of 5 K/min, the maximum shear strength of 95 MPa was obtained.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Morris E. Fine; Gautam Ghosh; Dieter Isheim
A creep resistant high temperature Al base alloy made by conventional processing procedures is the subject of this research. The Ni-based superalloys have volume fractions of cubic L1{sub 2} phase precipitates near 50%. This is not attainable with Al base alloys and the approach pursued in this research was to add L1{sub 2} structured precipitates to the Al-Ni eutectic alloy, 2.7 at. % Ni-97.3 at. % Al. The eutectic reaction gives platelets of Al{sub 3}Ni (DO{sub 11} structure) in an almost pure Al matrix. The Al{sub 3}Ni platelets give reinforcement strengthening while the L1{sub 2} precipitates strengthen the Al alloymore » matrix. Based on prior research and the extensive research reported here modified cubic L1{sub 2} Al{sub 3}Zr is a candidate. While cubic Al{sub 3}Zr is metastable, the stable phase is tetragonal, only cubic precipitates were observed after 1600 hrs at 425 C and they hardly coarsened at all with time at this temperature. Also addition of Ti retards the cubic to tetragonal transformation; however, a thermodynamically stable precipitate is desired. A very thorough ab initio computational investigation was done on the stability of L1{sub 2} phases of composition, (Al,X){sub 3}(Zr,Ti) and the possible occurrence of tie lines between a stable L1{sub 2} phase and the Al alloy terminal solid solution. Precipitation of cubic (Al{sub (1-x)}Zn{sub x}){sub 3}Zr in Al was predicted by these computations and subsequently observed by experiment (TEM). To test the combined reinforcement-precipitation concept to obtain a creep resistant Al alloy, Zr and Ti were added to the Al-Ni eutectic alloy. Cubic L1{sub 2} precipitates did form. The first and only Al-Ni-Zr-Ti alloy tested for creep gave a steady state creep rate at 375 C of 8 x 10{sup -9} under 20MPa stress. The goal is to optimize this alloy and add Zn to achieve a thermodynamically stable precipitate.« less
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Fabrication and Properties of Plasma-Sprayed Al2O3/ZrO2 Composite Coatings
NASA Astrophysics Data System (ADS)
Dejang, N.; Limpichaipanit, A.; Watcharapasorn, A.; Wirojanupatump, S.; Niranatlumpong, P.; Jiansirisomboon, S.
2011-12-01
Al2O3 /xZrO2 (where x = 0, 3, 13, and 20 wt.%) composite coatings were deposited onto mild steel substrates by atmospheric plasma spraying of mixed α-Al2O3 and nano-sized monoclinic-ZrO2 powders. Microstructural investigation showed that the coatings comprised well-separated Al2O3 and ZrO2 lamellae, pores, and partially molten particles. The coating comprised mainly of metastable γ-Al2O3 and tetragonal-ZrO2 with trace of original α-Al2O3 and monoclinic-ZrO2 phases. The effect of ZrO2 addition on the properties of coatings were investigated in terms of microhardness, fracture toughness, and wear behavior. It was found that ZrO2 improved the fracture toughness, reduced friction coefficient, and wear rate of the coatings.
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NASA Astrophysics Data System (ADS)
Petrova, E. V.; Dresvyannikov, A. F.; Ahmadi Daryakenari, M.; Khairullina, A. I.
2016-05-01
Scanning electron microscopy, X-ray, and thermal analysis are used to examine the structure and properties of dispersive systems based on aluminum and zirconium oxides prepared electrochemically. The effect the conditions of synthesis have on the structure and morphology of Al2O3-ZrO2 particles is studied. It is shown that the effect of an electric field on the reaction medium allows us to adjust the physicochemical properties and morphology.
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Wear Resistance Enhancement of Ti-6Al-4 V Alloy by Applying Zr-Modified Silicide Coatings
NASA Astrophysics Data System (ADS)
Li, Xuan; Hu, Guangzhong; Tian, Jin; Tian, Wei; Xie, Wenling; Li, Xiulan
2018-03-01
Zr-modified silicide coatings were prepared on Ti-6Al-4 V alloy by pack cementation process to enhance its wear resistance. The microstructure and wear properties of the substrate and the coatings were comparatively investigated using GCr15 and Al2O3 as the counterparts under different sliding loads. The obtained Zr-modified silicide coating had a multilayer structure, consisting of a thick (Ti, X)Si2 (X represents Al, Zr and V elements) outer layer, a TiSi middle layer and a Ti5Si4 + Ti5Si3 inner layer. The micro-hardness of the coating was much higher than the substrate and displayed a decrease tendency from the coating surface to the interior. Sliding against either GCr15 or Al2O3 balls, the coatings showed superior anti-friction property to the Ti-6Al-4 V alloy, as confirmed by its much lower wear rate under each employed sliding condition.
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NASA Astrophysics Data System (ADS)
Ur Rehman, Zeeshan; Shin, Seong Hun; Ahmad, Tanveer; Koo, Bon Heun
2018-05-01
Al2O3-ZrO2 composite ceramic coatings were prepared on Al6061 aluminum alloy by plasma electrolytic oxidation in Na3PO4-K2ZrF6-Na2SiF6-based alkaline electrolyte. Optimum processing time for the coating formation was found to be 50 min. Cross section and surface morphology of the coatings were analyzed using scanning electron microscope. From the phase and elemental composition analysis, the presence of m-ZrO2 and t-ZrO2 phases was confirmed. It was further observed that the peak intensities of t-ZrO2 and α-Al2O3 phases increased with processing time, which was attributed to the enhanced crystallinity caused by the efficient sintering conditions. Corrosion properties were investigated by potentiodynamic polarization test in 3.5 wt.% NaCl solution. The results showed high improvement in corrosion rate with minimum recorded value 0.25 mmy (mm/year) and corrosion current 0.15 × 10-6 A/cm2.
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NASA Astrophysics Data System (ADS)
Geng, Yunlong
L10-type (Space group P4/mmm) magnetic compounds, including FeNi and MnAl, possess promising technical magnetic properties of both high magnetization and large magnetocrystalline anisotropy energy, and thus offer potential in replacing rare earth permanent magnets in some applications. In equiatomic Fe-Ni, the disorder-order transformation from fcc structure to the L10 structure is a diffusional transformation, but is inhibited by the low ordering temperature. The transformation could be enhanced through the creation of vacancies. Thus, mechanical alloying was employed to generate more open-volume defects. A decrease in grain size and concomitant increase in grain boundary area resulted from the mechanical alloying, while an initial increase in internal strain (manifested through an increase in dislocation density) was followed by a subsequent decrease with further alloying. However, a decrease in the net defect concentration was determined by Doppler broadening positron annihilation spectroscopy, as open volume defects utilized dislocations and grain boundaries as sinks. An alloy, Fe32Ni52Zr3B13, formed an amorphous structure after rapid solidification, with a higher defect concentration than crystalline materials. Mechanical milling was utilized in an attempt to generate even more defects. However, it was observed that Fe32Ni52Zr3B13 underwent crystallization during the milling process, which appears to be related to enhanced vacancy-type defect concentrations allowing growth of pre-existing Fe(Ni) nuclei. The milling and enhanced vacancy concentration also de-stabilizes the glass, leading to decreased crystallization temperatures, and ultimately leading to complete crystallization. In Mn-Al, the L10 structure forms from the parent hcp phase. However, this phase is slightly hyperstoichiometric relative to Mn, and the excess Mn occupies Al sites and couples antiparallel to the other Mn atoms. In this study, the Zr substituted preferentially for the Mn atoms in the Al layer, resulting in an increase in saturation magnetization, from 115 emu/g in the alloys without Zr to 128 emu/g in Mn53Al43C 3Zr1. To further improve the coercivity in Mn53Al 43C3Zr1, microstructure modification was achieved through the addition of excessive C and through surfactant-assisted mechanical milling. Enhancement in coercivity was accomplished through the microstructure modification, however, the loss of saturation magnetization was observed due to the formation of other equilibrium phases, including epsilon, beta-Mn and ZrO.
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Compound ultrarefractory CAI-bearing inclusions from CV3 carbonaceous chondrites
NASA Astrophysics Data System (ADS)
Ivanova, Marina A.; Krot, Alexander N.; Nagashima, Kazuhide; MacPherson, Glenn J.
2012-12-01
Abstract-Two compound calcium-aluminum-rich inclusions (CAIs), 3N from the oxidized CV chondrite Northwest Africa (NWA) 3118 and 33E from the reduced CV chondrite Efremovka, contain ultrarefractory (UR) inclusions. 3N is a forsterite-bearing type B (FoB) CAI that encloses UR inclusion 3N-24 composed of Zr,Sc,Y-rich oxides, Y-rich perovskite, and Zr,Sc-rich Al,Ti-diopside. 33E contains a fluffy type A (FTA) CAI and UR CAI 33E-1, surrounded by Wark-Lovering rim layers of spinel, Al-diopside, and forsterite, and a common forsterite-rich accretionary rim. 33E-1 is composed of Zr,Sc,Y-rich oxides, Y-rich perovskite, Zr,Sc,Y-rich pyroxenes (Al,Ti-diopside, Sc-rich pyroxene), and gehlenite. 3N-24's UR oxides and Zr,Sc-rich Al,Ti-diopsides are 16O-poor (Δ17O approximately -2‰ to -5‰). Spinel in 3N-24 and spinel and Al-diopside in the FoB CAI are 16O-rich (Δ17O approximately -23 ± 2‰). 33E-1's UR oxides and Zr,Sc-rich Al,Ti-diopsides are 16O-depleted (Δ17O approximately -2‰ to -5‰) vs. Al,Ti-diopside of the FTA CAI and spinel (Δ17O approximately -23 ± 2‰), and Wark-Lovering rim Al,Ti-diopside (Δ17O approximately -7‰ to -19‰). We infer that the inclusions experienced multistage formation in nebular regions with different oxygen-isotope compositions. 3N-24 and 33E-1's precursors formed by evaporation/condensation above 1600 °C. 3N and 33E's precursors formed by condensation and melting (3N only) at significantly lower temperatures. 3N-24 and 3N's precursors aggregated into a compound object and experienced partial melting and thermal annealing. 33E-1 and 33E avoided melting prior to and after aggregation. They acquired Wark-Lovering and common forsterite-rich accretionary rims, probably by condensation, followed by thermal annealing. We suggest 3N-24 and 33E-1 originated in a 16O-rich gaseous reservoir and subsequently experienced isotope exchange in a 16O-poor gaseous reservoir. Mechanism and timing of oxygen-isotope exchange remain unclear.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22443405-phase-transition-crystal-water-low-thermal-expansion-behavior-al-sub-zrmg-sub-sub-sub-sub','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22443405-phase-transition-crystal-water-low-thermal-expansion-behavior-al-sub-zrmg-sub-sub-sub-sub"><span>Phase transition, crystal water and low thermal expansion behavior of Al{sub 2−2x}(ZrMg){sub x}W{sub 3}O{sub 12}·n(H{sub 2}O)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Li, Fang; Liu, Xiansheng; Song, Wenbo</p> <p>2014-10-15</p> <p>Al{sub 2−2x}(ZrMg){sub x}W{sub 3}O{sub 12} for 0≤x≤1.0 are synthesized to reduce the phase transition temperature of Al{sub 2}W{sub 3}O{sub 12}. It is found that the incorporation of (ZrMg){sup 6+} into the lattice of Al{sub 2}W{sub 3}O{sub 12} not only reduces its orthorhombic-to-monoclinic phase transition temperature but also elevates its softening temperature, broadening its applicable temperature range considerably. Al{sub 2−2x}(ZrMg){sub x}W{sub 3}O{sub 12} with x<0.5 exhibit low coefficients of thermal expansion (CTEs) and non-hygroscopicity, while those for x≥0.7 are obviously hygroscopic and the CETs decrease with increasing the content of (ZrMg){sup 6+} so that Al{sub 0.2}(ZrMg){sub 0.9}W{sub 3}O{sub 12} and ZrMgW{submore » 3}O{sub 12} exhibit negative thermal expansion. Temperature-dependent Raman spectroscopic study shows the hardening of W–O bonds above 373 K which is attributed to the release of crystal water. The effect of crystal water on the thermal expansion property is discussed based on the hydrogen bond between H in crystal water and electronegative O in Al(ZrMg)–O–W linkages. - Graphical abstract: (a and b) Temperature dependent Raman spectra of Al{sub 2−x}(ZrMg){sub x}W{sub 3}O{sub 12} (x=0.1, 0.2), (c and d) Building block of a unit cell of Al{sub 2−x}(ZrMg){sub x}W{sub 3}O{sub 12}·n(H{sub 2}O) and schematic showing the effect of crystal water on Al(Zr, Mg)–O–W linkages. - Highlights: • (ZrMg){sup 6+} reduces orthorhombic-to-monoclinic phase transition of Al{sub 2}W{sub 3}O{sub 12}. • The incorporation of (ZrMg){sup 6+} elevates the softening temperature of Al{sub 2}W{sub 3}O{sub 12}. • Al{sub 2−2x}(ZrMg){sub x}W{sub 3}O{sub 12} (x<0.5) exhibit low CTEs and non-hygroscopicity. • Al{sub 0.2}(ZrMg){sub 0.9}W{sub 3}O{sub 12}·0.8H{sub 2}O and ZrMgW{sub 3}O{sub 12}·2H{sub 2}O present NTE. • Hydrogen bond between H in H{sub 2}O and O in Al(ZrMg)–O–W affects thermal expansion.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5951520','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5951520"><span>Intermetallic Growth and Interfacial Properties of the Grain Refiners in Al Alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Li, Chunmei; Cheng, Nanpu; Chen, Zhiqian; Xie, Zhongjing; Hui, Liangliang</p> <p>2018-01-01</p> <p>Al3TM(TM = Ti, Zr, Hf, Sc) particles acting as effective grain refiners for Al alloys have been receiving extensive attention these days. In order to judge their nucleation behaviors, first-principles calculations are used to investigate their intermetallic and interfacial properties. Based on energy analysis, Al3Zr and Al3Sc are more suitable for use as grain refiners than the other two intermetallic compounds. Interfacial properties show that Al/Al3TM(TM = Ti, Zr, Hf, Sc) interfaces in I-ter interfacial mode exhibit better interface wetting effects due to larger Griffith rupture work and a smaller interface energy. Among these, Al/Al3Sc achieves the lowest interfacial energy, which shows that Sc atoms should get priority for occupying interfacial sites. Additionally, Sc-doped Al/Al3(Zr, Sc) interfacial properties show that Sc can effectively improve the Al/Al3(Zr, Sc) binding strength with the Al matrix. By combining the characteristics of interfaces with the properties of intermetallics, the core-shell structure with Al3Zr-core or Al3Zr(Sc1-1)-core encircled with an Sc-rich shell forms. PMID:29677155</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2003JPhD...36..723Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2003JPhD...36..723Z"><span>Zr-ZrO2 cermet solar coatings designed by modelling calculations and deposited by dc magnetron sputtering</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zhang, Qi-Chu; Hadavi, M. S.; Lee, K.-D.; Shen, Y. G.</p> <p>2003-03-01</p> <p>High solar performance Zr-ZrO2 cermet solar coatings were designed using a numerical computer model and deposited experimentally. The layer thickness and Zr metal volume fraction for the Zr-ZrO2 cermet solar selective coatings on a Zr or Al reflector with a surface ZrO2 or Al2O3 anti-reflection layer were optimized to achieve maximum photo-thermal conversion efficiency at 80°C under concentration factors of 1-20 using the downhill simplex method in multi-dimensions in the numerical calculation. The dielectric function and the complex refractive index of Zr-ZrO2 cermet materials were calculated using Sheng's approximation. Optimization calculations show that Al2O3/Zr-ZrO2/Al solar coatings with two cermet layers and three cermet layers have nearly identical solar absorptance, emittance and photo-thermal conversion efficiency that are much better than those for films with one cermet layer. The optimized Al2O3/Zr-ZrO2/Al solar coating film with two cermet layers has a high solar absorptance value of 0.97 and low hemispherical emittance value of 0.05 at 80°C for a concentration factor of 2. The Al2O3/Zr-ZrO2/Al solar selective coatings with two cermet layers were deposited using dc magnetron sputtering technology. During the deposition of Zr-ZrO2 cermet layer, a Zr metallic target was run in a gas mixture of argon and oxygen. By control of oxygen flow rate the different metal volume fractions in the cermet layers were achieved using dc reactive sputtering. A solar absorptance of 0.96 and normal emittance of 0.05 at 80°C were achieved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1997GeCoA..61.4723F','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1997GeCoA..61.4723F"><span>Geochemical characteristics of aluminum depleted and undepleted komatiites and HREE-enriched low-Ti tholeiites, western Abitibi greenstone belt: A heterogeneous mantle plume-convergent margin environment</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Fan, J.; Kerrich, R.</p> <p>1997-11-01</p> <p>A compositionally diverse suite of komatiites, komatiitic basalts, and basalts coexist in the Tisdale volcanic assemblage of the late-Archean (˜2.7 Ga) Abitibi greenstone belt. The komatiites are characterized by a spectrum of REE patterns, from low total REE contents (9 ppm) and pronounced convex-up patterns to greater total REE (18 ppm) and approximately flat-distributions. Thorium and niobium are codepleted with LREE. Komatiites with the most convex-up patterns have low Al 2O 3 (4.7 wt%) contents and Al 2O 3/TiO 2(12) ratios; they are interpreted to be the Al-depleted variety of komatiite derived from a depleted mantle source. Those komatiites and komatiitic basalts with flatter REE patterns are characterized by greater Al 2O 3 (7.0 wt%) and near chondritic Al 2O 3/TiO 2 (20) ratios; they are interpreted to be Al-undepleted komatiites generated from trace element undepleted mantle. For the komatiites and komatiitic basalts collectively, Gd/Ybn ratios are negatively correlated with La/Smn, but positively with MgO and Ni. The spectrum of patterns is interpreted as mixing between Al, HREE, Y-depleted, and Sc-depleted komatiites and Al-undepleted komatiites in a heterogeneous mantle plume. Auminum-depleted komatiites are characterized by negative Zr and Hf anomalies, consistent with majorite garnet-liquid D's for HFSE and REEs, signifying melt segregation at depths of >400 km. Tisdale Al-undepleted komatiites and komatiitic basalts have small negative to zero Zr(Hf)/MREE fractionation, signifying melt segregation in or above the garnet stability field. Collectively, the komatiites have correlations of Zr/Zr∗ and Hf/Hf ∗ with Gd/Ybn, and hence the Zr(Hf)/MREE fractionations are unlikely to have stemmed from alteration or crustal contamination. Two types of basalts are present. Type I basalts are Mg-tholeiites with near flat REE and primitive mantle normalized patterns, compositionally similar to abundant Mg-tholeiites associated with both Al-undepleted and Al-depleted komatiites in the Abitibi belt. They have absolute concentrations and ratios of most moderately and highly compatible elements comparable to N- MORB (Zr ˜79 vs. 74, Y ˜30 vs. 28, and Zr/Y = 2.4-2.9 vs. 2.6 ), but are relatively less depleted in highly incompatible elements and lack positive Nb or P anomalies. Type II basalts are relatively aluminous (Al 2O 3 ˜ 16 wt%), with high Al 2O 3/TiO 2 (24-28) ratios. They are characterized by low Th, Nb, and LREE contents at eight to ten times chondrite, with slightly convex-up LREE patterns ( La/Smn = 0.86-0.99 ), but strongly fractionated and enriched HREEs, Y, and Sc, where Gd/Ybn = 0.50-0.55 and consistently positive Zr(Hf)/MREEs anomalies. These basalts are tentatively interpreted as low-Ti tholeiites formed in a convergent margin setting with second stage melting, induced by fluids and melts enriched in incompatible elements and Zr(Hf) relative to MREEs, of a mantle source depleted during first stage melting. They are analogous to the Phanerozoic low-Ti tholeiite - boninite association. Accordingly the Tisdale volcanic sequence records a plume-convergent margin interaction. New analyses of Al-undepleted komatiites from the classical locality at Pyke Hill in Munro Township confirm the presence of small positive anomalies of P, Zr, and Hf, with Zr/Hf ratios generally < 36. These signatures are similar in spinifex and cumulate zones signifying that they are unlikely to have resulted from alteration. The data were generated by INAA and ICP-MS using both HFHNO 3 dissolution and Na 2O 2 sinter. The lack of LREE enrichment with negative Nb, Ta, P, and Ti anomalies in any of the Tisdale or Munro komatiites confirms an intraoceanic setting for the volcanic stage of the Western Abitibi greenstone belt.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015MMTA...46.3063S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015MMTA...46.3063S"><span>Improving High-Temperature Tensile and Low-Cycle Fatigue Behavior of Al-Si-Cu-Mg Alloys Through Micro-additions of Ti, V, and Zr</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Shaha, S. K.; Czerwinski, F.; Kasprzak, W.; Friedman, J.; Chen, D. L.</p> <p>2015-07-01</p> <p>High-temperature tensile and low-cycle fatigue tests were performed to assess the influence of micro-additions of Ti, V, and Zr on the improvement of the Al-7Si-1Cu-0.5Mg (wt pct) alloy in the as-cast condition. Addition of transition metals led to modification of microstructure where in addition to conventional phases present in the Al-7Si-1Cu-0.5Mg base, new thermally stable micro-sized Zr-Ti-V-rich phases Al21.4Si4.1Ti3.5VZr3.9, Al6.7Si1.2TiZr1.8, Al2.8Si3.8V1.6Zr, and Al5.1Si35.4Ti1.6Zr5.7Fe were formed. The tensile tests showed that with increasing test temperature from 298 K to 673 K (25 °C to 400 °C), the yield stress and tensile strength of the present studied alloy decreased from 161 to 84 MPa and from 261 to 102 MPa, respectively. Also, the studied alloy exhibited 18, 12, and 5 pct higher tensile strength than the alloy A356, 354 and existing Al-Si-Cu-Mg alloy modified with additions of Zr, Ti, and Ni, respectively. The fatigue life of the studied alloy was substantially longer than those of the reference alloys A356 and the same Al-7Si-1Cu-0.5Mg base with minor additions of V, Zr, and Ti in the T6 condition. Fractographic analysis after tensile tests revealed that at the lower temperature up to 473 K (200 °C), the cleavage-type brittle fracture for the precipitates and ductile fracture for the matrix were dominant while at higher temperature fully ductile-type fracture with debonding and pull-out of cracked particles was identified. It is believed that the intermetallic precipitates containing Zr, Ti, and V improve the alloy performance at increased temperatures.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018SSCom.270..111G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018SSCom.270..111G"><span>The electronic, structural and magnetic properties of Heusler compounds ZrCrCoZ(Z=B, Al, Ga, In): A first-principles study</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Guo, R. K.; Liu, G. D.; Lin, T. T.; Wang, W.; Wang, L. Y.; Dai, X. F.</p> <p>2018-02-01</p> <p>It is predicted that the ZrCrCoZ(Z=B, Al, Ga, In) compounds with LiMnPbSn-type structure are half-metallic ferrimagnets with a large half-metallic gap by the first-principles calculations. The half-metallicity of the ZrCrCoZ(Z=B, Al, Ga, In) compounds are quite robust to the axial and uniaxial strain. The total magnetic moments in per unit cell are 4 μB for the ZrCrCoZ(Z=B, Al, Ga, In) compounds and follow the Slater-Pauling rule, which can be attributed to the great spin-splitting. The calculated formation energies are negative for all the ZrCrCoZ(Z=B, Al, Ga, In) compounds, which indicates that those compounds are in the thermodynamic stability and the possibility of synthesis in experiment.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28340417','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28340417"><span>Interfacial interactions between Skeletonema costatum extracellular organic matter and metal oxides: Implications for ceramic membrane filtration.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Zaouri, Noor; Gutierrez, Leonardo; Dramas, Laure; Garces, Daniel; Croue, Jean-Philippe</p> <p>2017-06-01</p> <p>In the current study, the interfacial interactions between the high molecular weight (HMW) compounds of Skeletonema costatum (SKC) extracellular organic matter (EOM) and ZrO 2 or Al 2 O 3 , were investigated by atomic force microscopy (AFM). HMW SKC-EOM was rigorously characterized and described as a hydrophilic organic compound mainly comprised of polysaccharide-like structures. Lipids and proteins were also observed, although in lower abundance. HMW SKC-EOM displayed attractive forces during approaching (i.e., leading to jump-to-contact events) and adhesion forces during retracting regime to both metal oxides at all solution conditions tested, where electrostatics and hydrogen bonding were suggested as dominant interacting mechanisms. However, the magnitude of these forces was significantly higher on ZrO 2 surfaces, irrespective of cation type (Na + or Ca 2+ ) or concentration. Interestingly, while HMW SKC-EOM interacting forces to Al 2 O 3 were practically insensitive to solution chemistry, the interactions between ZrO 2 and HMW SKC-EOM increased with increasing cation concentration in solution. The structure, and lower charge, hydrophilicity, and density of hydroxyl groups on ZrO 2 surface would play a key role on favoring zirconia associations with HMW SKC-EOM. The current results contribute to advance our fundamental understanding of Algogenic Organic Matter (AOM) interfacial interactions with metal oxides (i.e., AOM membrane fouling), and would highly assist in the proper selection of membrane material during episodic algal blooms. Copyright © 2017 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016MS%26E..140a2009G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016MS%26E..140a2009G"><span>Composite materials based on high-modulus compounds for additive technology</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Grigoriev, M.; Kotelnikov, N.; Buyakova, S.; Kulkov, S.</p> <p>2016-07-01</p> <p>The effect of adding nanocrystalline ZrO2 and submicron TiC to ultrafine Al2O3 on mechanical properties and the microstructure of the composites developed by hot pressing was investigated. It was shown that by means of hot pressing in argon atmosphere at the sintering temperature of 1500 °C one can obtain the composites of Al2O3-ZrO2-TiC with a fine structure and minimal porosity. It was shown that in the material a multi-scale hierarchical structure is formed, which possesses high physical and mechanical properties: the hardness and fracture toughness was 22 GPa and 5.2 MPa*m1/2, respectively. It has been shown that mechanical properties of the composite are better than those of commercial composites based on aluminum oxide (Al2O3, ZTA, Al2O3-TiC) and are comparable to those of silicon nitride.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012JAP...112a4107S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012JAP...112a4107S"><span>Structural and electrical properties of atomic layer deposited Al-doped ZrO2 films and of the interface with TaN electrode</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Spiga, S.; Rao, R.; Lamagna, L.; Wiemer, C.; Congedo, G.; Lamperti, A.; Molle, A.; Fanciulli, M.; Palma, F.; Irrera, F.</p> <p>2012-07-01</p> <p>Al-doped ZrO2 (Al-ZrO2) films deposited by atomic layer deposition onto silicon substrates and the interface with the TaN metal gate are investigated. In particular, structural properties of as-grown and annealed films in the 6-26 nm thickness range, as well as leakage and capacitive behavior of metal-oxide-semiconductor stacks are characterized. As-deposited Al-ZrO2 films in the mentioned thickness range are amorphous and crystallize in the ZrO2 cubic phase after thermal treatment at 900 °C. Correspondingly, the dielectric constant (k) value increases from 20 ± 1 to 27 ± 2. The Al-ZrO2 layers exhibit uniform composition through the film thickness and are thermally stable on Si, whereas chemical reactions take place at the TaN/Al-ZrO2 interface. A transient capacitance technique is adopted for monitoring charge trapping and flat band instability at short and long time scales. The role of traps nearby the TaN/Al-ZrO2 interface is discussed and compared with other metal/high-k oxide films. Further, analytical modeling of the flat band voltage shift with a power-law dependence on time allows extracting features of bulk traps close to the silicon/oxide interface, which exhibit energy levels in the 1.4-1.9 eV range above the valence band of the Al-ZrO2.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018MMTA..tmp...87Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018MMTA..tmp...87Z"><span>Experimental Investigation of the 1073 K (800 °C) Isothermal Section of the Al-V-Zr Ternary System</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zhu, Yude; Ouyang, Xuemei; Yin, Fucheng; Zhao, Manxiu; Lou, Jia</p> <p>2018-03-01</p> <p>This work is focused on an experimental investigation of the phase equilibria of the Al-V-Zr system at 1073 K (800 °C). The phase equilibria were analyzed using scanning electron microscopy (SEM) coupled with energy-dispersive spectrometry and X-ray diffraction. The results confirmed the presence of twelve three-phase regions and one ternary compound, Τ, which contains 10.0 to 16.5 at. pct Zr, 52.8 to 55.2 at. pct Al, and 29.3 to 36.3 at. pct V. The T phase can be in equilibrium with Al8V5, Al3Zr, Al2Zr, and α-V. The T phase belongs to the tetragonal crystal system with confirmed lattice parameters of a = 0.658531 nm and c = 0.517334 nm. The Al2Zr phase region is extraordinarily large and can be in equilibrium with all the compounds in the Al-Zr and V-Zr systems, with the exception of the AlZr phase.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MS%26E..254g2014K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MS%26E..254g2014K"><span>Physical properties of ZrC/Al2O3 imbedded heat storage woven fabrics</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kim, S. J.; Song, M. K.; Seo, K. O.; Kim, H. A.</p> <p>2017-10-01</p> <p>This study investigated different physical properties of ZrC/Al2O3 imbedded heat storage woven fabrics. ZrC and Al2O3 imbedded heat storage PET filaments were spun on the pilot spinning equipment, respectively. Various physical properties of ceramic imbedded fabrics made of ZrC and Al2O3 imbedded filaments were measured and compared with those of the regular PET woven fabric. The surface temperatures of the ZrC and Al2O3 imbedded fabrics were higher than that of the regular fabric. Water absorption rate of ceramic imbedded fabrics was better than that of the regular fabric and drying property was inferior to that of regular fabric. Breathability by water vapour resistance(Ref) of ZrC imbedded fabric was superior to that of regular fabric. Heat keepability rates of the ceramic imbedded fabrics were higher than that of the regular fabrics, which revealed a good heat storage property of the ZrC/Al2O3 imbedded fabrics.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015PhDT........56L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015PhDT........56L"><span>Microstructure and Phase Analysis in Mn-Al and Zr-Co Permanent Magnets</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Lucis, Michael J.</p> <p></p> <p>In America's search for energy independence, the development of rare-earth free permanent magnets is one hurdle that still stands in the way. Permanent magnet motors provide a higher efficiency than induction motors in applications such as hybrid vehicles and wind turbines. This thesis investigates the ability of two materials, Mn-Al and Zr-Co, to fill this need for a permanent magnet material whose components are readily available within the U.S. and whose supply chain is more stable than that of the rare-earth materials. This thesis focuses on the creation and optimization of these two materials to later be used as the hard phase in nanocomposites with high energy products (greater than 10 MGOe). Mn-Al is capable of forming the pure L10 structure at a composition of Mn54Al43C3. When Mn is replaced by Fe or Cu using the formula Mn48Al43C3T6 the anisotropy constant is lowered from 1.3·107 ergs/cm3 to 1.0·107 ergs/cm3 and 0.8·10 7 ergs/cm3 respectively. Previous studies have reported a loss in magnetization in Mn-Al alloys during mechanical milling. The reason for this loss in magnetization was investigated and found to be due to the formation of the equilibrium beta-Mn phase of the composition Mn3Al2 and not due to oxidation or site disorder. It was also shown that fully dense Mn-Al permanent magnets can be created at hot pressing temperatures at or above 700°C and that the epsilon-phase to tau-phase transition and consolidation can be combined into a single processing step. The addition of small amounts of Cu to the alloy, 3% atomic, can increase the compaction density allowing high densities to be achieved at lower pressing temperatures. While the structure is still under debate, alloys at the composition Zr2Co11 in the Zr-Co system have been shown to have hard magnetic properties. This thesis shows that multiple structures exist at this Zr2Co11 composition and that altering the cooling rate during solidification of the alloy affects the ratio of the phase composition and therefore affects the magnetic properties. Phase diagrams for the Zr-Co system show that the Zr2Co11 phase is stable to a temperature of 1272°C, at which point the Zr6Co23 phase is the most favorable. However, this thesis shows that the Zr6Co23 phase forms at room temperature during high energy mechanical milling and at annealing temperatures as low as 600°C. Since high energy mechanical milling was not a potential method to creating single crystalline particles, hydrogen embrittlement was investigated. Hydrochloric acid was used to induce hydrogen embrittlement in the Zr2Co11 alloy, modifying the fracture characteristics of the alloy causing it to occur primarily along grain boundaries resulting in single crystalline particles with remanent magnetization enhancement.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/19348445','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/19348445"><span>Facile synthesis and unique physicochemical properties of three-dimensionally ordered macroporous magnesium oxide, gamma-alumina, and ceria-zirconia solid solutions with crystalline mesoporous walls.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Li, Huining; Zhang, Lei; Dai, Hongxing; He, Hong</p> <p>2009-05-18</p> <p>Three-dimensionally (3D) ordered macroporous (3DOM) MgO, gamma-Al(2)O(3), Ce(0.6)Zr(0.4)O(2), and Ce(0.7)Zr(0.3)O(2) with polycrystalline mesoporous walls have been successfully fabricated with the triblock copolymer EO(106)PO(70)EO(106) (Pluronic F127) and regularly packed monodispersive polymethyl methacrylate (PMMA) microspheres as the template and magnesium, aluminum, cerium and zirconium nitrate(s), or aluminum isopropoxide as the metal source. The as-synthesized metal oxides were characterized by means of techniques such as X-ray diffraction (XRD), thermogravimetric analysis/differential scanning calorimetry (TGA/DSC), Fourier transform infrared (FT-IR), high-resolution scanning electron microscopy (HRSEM), high-resolution transmission electron microscopy/selected area electron diffraction (HRTEM/SAED), BET, carbon dioxide temperature-programmed desorption (CO(2)-TPD), and hydrogen temperature-programmed reduction (H(2)-TPR). It is shown that the as-fabricated MgO, gamma-Al(2)O(3), Ce(0.6)Zr(0.4)O(2), and Ce(0.7)Zr(0.3)O(2) samples possessed single-phase polycrystalline structures and displayed a 3DOM architecture; the MgO, Ce(0.6)Zr(0.4)O(2), and Ce(0.7)Zr(0.3)O(2) samples exhibited worm-hole-like mesoporous walls, whereas the gamma-Al(2)O(3) samples exhibited 3D ordered mesoporous walls. The solvent (ethanol or water) nature and concentration, metal precursor, surfactant, and drying condition have an important impact on the pore structure and surface area of the final product. The introduction of surfactant F127 to the synthesis system could significantly enhance the surface areas of the 3DOM metal oxides. With PMMA and F127 in a 40% ethanol solution, one can generate well-arrayed 3DOM MgO with a surface area of 243 m(2)/g and 3DOM Ce(0.6)Zr(0.4)O(2) with a surface area of 100 m(2)/g; with PMMA and F127 in an ethanol-HNO(3) solution, one can obtain 3DOM gamma-Al(2)O(3)with a surface area of 145 m(2)/g. The 3DOM MgO and 3DOM gamma-Al(2)O(3) samples showed excellent CO(2) adsorption behaviors, whereas the 3DOM Ce(0.6)Zr(0.4)O(2) sample exhibited exceptional low-temperature reducibility. The unique physicochemical properties associated with the copresence of 3DOM and mesoporous walls make these porous materials ideal candidates for applications in heterogeneous catalysis and CO(2) adsorption.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_1");'>1</a></li> <li><a href="#" onclick='return showDiv("page_2");'>2</a></li> <li class="active"><span>3</span></li> <li><a href="#" onclick='return showDiv("page_4");'>4</a></li> <li><a href="#" onclick='return showDiv("page_5");'>5</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_3 --> <div id="page_4" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_2");'>2</a></li> <li><a href="#" onclick='return showDiv("page_3");'>3</a></li> <li class="active"><span>4</span></li> <li><a href="#" onclick='return showDiv("page_5");'>5</a></li> <li><a href="#" onclick='return showDiv("page_6");'>6</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="61"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018MeInd..18..707V','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018MeInd..18..707V"><span>Application of carbide cutting tools with nano-structured multilayer composite coatings for turning austenitic steels, type 16Cr-10NI</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Vereschaka, Alexey; Migranov, Mars; Oganyan, Gaik; Sotova, Catherine S.; Batako, Andre</p> <p>2018-03-01</p> <p>This paper addresses the challenges of increasing the efficiency of the machining of austenitic stainless steels AISI 321 and S31600 by application of cutting tools with multilayer composite nano-structured coatings. The main mechanical properties and internal structures of the coatings under study (hardness, adhesion strength in the "coating-substrate" system) were investigated, and their chemical compositions were analyzed. The conducted research of tool life and nature of wear of carbide tools with the investigated coatings during turning of the above mentioned steels showed that the application of those coatings increases the tool life by up to 2.5 times. In addition, the use of a cutting tool with coatings allows machining at higher cutting speeds. It was also found that the use of a tool with multilayer composite nano-structured coating (Zr,Nb)N-(Zr,Al,Nb)N ensures better results compared with not only monolithic coating TiN, but also with nano-structured coatings Ti-TiN-(Ti,Al)N and (Zr,Nb)N-(Cr,Zr,Nb,Al)N. The mechanism of failure of the coatings under study was also investigated.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2004JAP....95...84N','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2004JAP....95...84N"><span>Structural and dielectric properties of thin ZrO2 films on silicon grown by atomic layer deposition from cyclopentadienyl precursor</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Niinistö, J.; Putkonen, M.; Niinistö, L.; Kukli, K.; Ritala, M.; Leskelä, M.</p> <p>2004-01-01</p> <p>ZrO2 thin films with thicknesses below 20 nm were deposited by the atomic layer deposition process on Si(100) substrates at 350 °C. An organometallic precursor, Cp2Zr(CH3)2 (Cp=cyclopentadienyl, C5H5) was used as the zirconium source and water or ozone as oxygen source. The influence of oxygen source and substrate pretreatment on the dielectric properties of ZrO2 films was investigated. Structural characterization with high-resolution transmission electron microscopy was performed to films grown onto HF-etched or native oxide covered silicon. Strong inhibition of ZrO2 film growth was observed with the water process on HF-etched Si. Ozone process on HF-etched Si resulted in interfacial SiO2 formation between the dense and uniform film and the substrate while water process produced interfacial layer with intermixing of SiO2 and ZrO2. The effective permittivity of ZrO2 in Al/ZrO2/Si/Al capacitor structures was dependent on the ZrO2 layer thickness and oxygen source used. The interfacial layer formation increased the capacitance equivalent oxide thickness (CET). CET of 2.0 nm was achieved with 5.9 nm ZrO2 film deposited with the H2O process on HF-stripped Si. The ozone-processed films showed good dielectric properties such as low hysteresis and nearly ideal flatband voltage. The leakage current density was lower and breakdown field higher for the ozone-processed ZrO2 films.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1992ApPhL..61..528B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1992ApPhL..61..528B"><span>Epitaxial growth and properties of YBa2Cu3O(x)-Pb(Zr(0.6)Ti(0.4))O3-YBa2Cu3O(x) trilayer structure by laser ablation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Boikov, Iu. A.; Esaian, S. K.; Ivanov, Z. G.; Brorsson, G.; Claeson, T.; Lee, J.; Safari, A.</p> <p>1992-08-01</p> <p>YBa2Cu3O(x)Pb(Zr(0.6)Ti(0.4))O3-YBa2Cu3O(x) multilayer structure has been grown on SrTiO3 and Al2O3 substrates using laser ablation. The deposition conditions for the growth of trilayers and their properties are studied in this investigation. Scanning electron microscope images and X-ray diffraction analyses indicate that all the constituent films in the trilayer grow epitaxially on SrTiO3 and were highly oriented on Al2O3. Transport measurements on these multilayers show that top YBa2Cu3O(x) films have good superconducting properties.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22220838-synthesis-hydration-behavior-calcium-zirconium-aluminate-ca-sub-zral-sub-sub-cement','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22220838-synthesis-hydration-behavior-calcium-zirconium-aluminate-ca-sub-zral-sub-sub-cement"><span>Synthesis and hydration behavior of calcium zirconium aluminate (Ca{sub 7}ZrAl{sub 6}O{sub 18}) cement</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Kang, Eun-Hee; Yoo, Jun-Sang; Kim, Bo-Hye</p> <p>2014-02-15</p> <p>Calcium zirconium aluminate (Ca{sub 7}ZrAl{sub 6}O{sub 18}) cements were prepared by solid state reaction and polymeric precursor methods, and their phase evolution, morphology, and hydration behavior were investigated. In polymeric precursor method, a nearly single phase Ca{sub 7}ZrAl{sub 6}O{sub 18} was obtained at relatively lower temperature (1200 °C) whereas in solid state reaction, a small amount of CaZrO{sub 3} coexisted with Ca{sub 7}ZrAl{sub 6}O{sub 18} even at higher temperature (1400 °C). Unexpectedly, Ca{sub 7}ZrAl{sub 6}O{sub 18} synthesized by polymeric precursor process was the large-sized and rough-shaped powder. The planetary ball milling was employed to control the particle size and shape.more » The hydration behavior of Ca{sub 7}ZrAl{sub 6}O{sub 18} was similar to that of Ca{sub 3}Al{sub 2}O{sub 6} (C3A), but the hydration products were Ca{sub 3}Al{sub 2}O{sub 6}·6H{sub 2}O (C3AH6) and several intermediate products. Thus, Zr (or ZrO{sub 2}) stabilized the intermediate hydration products of C3A.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013JPhCS.419a2057Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013JPhCS.419a2057Y"><span>Research on self-propagating high temperature synthesis prepared ZrC-ZrB2 composite ceramic</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yong, Cheng; Xunjia, Su; Genliang, Hou; YaKun, Xing</p> <p>2013-03-01</p> <p>ZrC-ZrB2 composite ceramic material is prepared by self-propagating high temperature synthesis, using Zr powders, CrO2 powders and Al powders as raw materials. Samples are studied by XRD and SEM, the results show that: ZrC-ZrB2 composite ceramic is attained after self-propagating high-temperature reaction, with Zr+ B4C as the main reactive system, and which is added respectively different content (CrO3 + Al) system. The study finds that the ceramic composite products are mainly composed of ZrC and ZrB2 phase, and other subphase. Compared to the main reactive system composite ceramic, composite ceramic grains grow up obviously, after introduction of the highly exothermic system (CrO3 + Al) in the main reactive system, and with the gradual increase of the content (CrO3 + Al).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22577757-crystal-structures-new-ternary-stannides-la-sub-mg-sub-sn-sub-lamg-sub-sn-sub','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22577757-crystal-structures-new-ternary-stannides-la-sub-mg-sub-sn-sub-lamg-sub-sn-sub"><span>Crystal structures of the new ternary stannides La{sub 3}Mg{sub 4−x}Sn{sub 2+x} and LaMg{sub 3−x}Sn{sub 2}</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Solokha, P., E-mail: pavlo.solokha@unige.it; De Negri, S.; Minetti, R.</p> <p>2016-01-15</p> <p>Synthesis and structural characterization of the two new lanthanum–magnesium–stannides La{sub 3}Mg{sub 4−x}Sn{sub 2+x} (0.12≤x≤0.40) and LaMg{sub 3−x}Sn{sub 2} (0.33≤x≤0.78) are reported. The crystal structures of these intermetallics were determined by single crystal X-ray diffraction analysis and confirmed by Rietveld refinement of powder X-ray diffraction patterns of the corresponding samples. The La{sub 3}Mg{sub 4−x}Sn{sub 2+x} phase crystallizes in the hexagonal Zr{sub 3}Cu{sub 4}Si{sub 2} structure type (P6¯2m, hP9, Z=3, x=0.12(1), a=7.7974(7), c=4.8384(4) Å), which represents an ordered derivative of the hP9-ZrNiAl prototype, ubiquitous among equiatomic intermetallics. The LaMg{sub 3–x}Sn{sub 2} phase is the second representative of the trigonal LaMg{sub 3−x}Ge{sub 2}more » type, which is a superstructure of the LaLi{sub 3}Sb{sub 2} structure type (P3¯1c, hP34-0.12, Z=6, x=0.35(1), a=8.3222(9), c=14.9546(16) Å). The scheme describing the symmetry reduction/coloring with respect to the parent type is reported here with the purpose to discuss the LaMg{sub 3−x}Sn{sub 2} off-stoichiometry from the geometrical point of view. Structural relationships between the La–Mg–Sn ternary phases, including the already known equiatomic LaMgSn compound (oP12-TiNiSi), are presented in the framework of the AlB{sub 2}-related compounds family and discussed with the aid of group-subgroup relations in the Bärnighausen formalism. - Graphical abstract: Crystal structure of LaMg{sub 3−x}Sn{sub 2} viewed along the (001) direction together with the puckered layer of Mg and Sn atoms hosting Mg2, Mg3 and vacancy □. - Highlights: • Crystal structures of the new La{sub 3}Mg{sub 4−x}Sn{sub 2+x} and LaMg{sub 3−x}Sn{sub 2} phases were determined. • The off-stoichiometry of LaMg{sub 3−x}Sn{sub 2} was discussed from geometrical point of view. • Structural relations between the known La–Mg–Sn phases were established. • The studied compounds are related to the AlB{sub 2} type by symmetry reduction.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018MS%26E..347a2003A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018MS%26E..347a2003A"><span>Development of phase analysis methods of impurity elements in alloys based on iron and nickel</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Andreeva, N. A.; Anuchkin, S. N.; Volchenkova, V. A.; Kazenas, E. K.; Penkina, T. N.; Fomina, A. A.</p> <p>2018-04-01</p> <p>Using the method of AES with ICP, new methods have been developed for quantifying the content of various forms of existence of impurity elements: Al-Al2O3; Zr-ZrO2 in alloys based on iron (Fe-Sn) and nickel (Ni-Sn). Open systems were used to dissolve Al and Zr. To translate difficult-to-open aluminum oxides (corundum) and zirconium oxide (baddeleyite) into the solution, accelerated techniques were developed using the microwave system Mars 5. To confirm the completeness of the dissolution of oxides, a classical scheme of alloy fusion with alkali metal salts was used. Optimal analytical parameters for determining the elements: Al and Zr were chosen. The influence of matrix elements (iron and nickel) and methods of its elimination were studied. This made it possible to determine the elements in a wide concentration range from 1 • 10-3 to n% Al and from 1 • 10-4 to n% Zr without preliminary separation of the matrix with good metrological characteristics. The relative standard deviation (Sr) does not exceed 0,2. The separate determination of the contents of aluminum and aluminium oxide in the model melt of Fe-Sn-Al2O3 and zirconium and zirconium oxide in the Ni-Sn-ZrO2 model melt allowed us to estimate the number of nanoparticles participating in the heterophase interaction with tin and retired to the interface in the form of ensembles and the number of nanoparticles present in the melt and affecting the crystallization process and the structure of the metal.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28257201','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28257201"><span>Synthesis of MAX Phases in the Zr-Ti-Al-C System.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Tunca, Bensu; Lapauw, Thomas; Karakulina, Olesia M; Batuk, Maria; Cabioc'h, Thierry; Hadermann, Joke; Delville, Rémi; Lambrinou, Konstantina; Vleugels, Jozef</p> <p>2017-03-20</p> <p>This study reports on the synthesis and characterization of MAX phases in the (Zr,Ti) n+1 AlC n system. The MAX phases were synthesized by reactive hot pressing and pressureless sintering in the 1350-1700 °C temperature range. The produced ceramics contained large fractions of 211 and 312 (n = 1, 2) MAX phases, while strong evidence of a 413 (n = 3) stacking was found. Moreover, (Zr,Ti)C, ZrAl 2 , ZrAl 3 , and Zr 2 Al 3 were present as secondary phases. In general, the lattice parameters of the hexagonal 211 and 312 phases followed Vegard's law over the complete Zr-Ti solid solution range, but the 312 phase showed a non-negligible deviation from Vegard's law around the (Zr 0.33 ,Ti 0.67 ) 3 Al 1.2 C 1.6 stoichiometry. High-resolution scanning transmission electron microscopy combined with X-ray diffraction demonstrated ordering of the Zr and Ti atoms in the 312 phase, whereby Zr atoms occupied preferentially the central position in the close-packed M 6 X octahedral layers. The same ordering was also observed in 413 stackings present within the 312 phase. The decomposition of the secondary (Zr,Ti)C phase was attributed to the miscibility gap in the ZrC-TiC system.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/6856027-structure-intermediate-zr-sub-br-sub-neutron-diffraction-its-structural-bonding-relationships-other-phases','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/6856027-structure-intermediate-zr-sub-br-sub-neutron-diffraction-its-structural-bonding-relationships-other-phases"><span>Structure of the intermediate Zr/sub 2/Br/sub 2/H by neutron diffraction and its structural and bonding relationships to other phases</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Wijeyesekera, S.D.; Corbett, J.D.</p> <p>1986-12-17</p> <p>The structures of the isomorphous Zr/sub 2/Br/sub 2/D and Zr/sub 2/Br/sub 2/H have been solved and refined by using Rietveld techniques on pulsed neutron diffraction data obtained from the powdered samples at 14 K (C2/m, a = 19.437 (3) A, b = 3.5253 (4) A, c = 5.9036 (6) A, ..beta.. = 100.98 (1)/sup 0/, R(profile)/R(expected) = 2.44 for the deuteride). The structure consists of layers sequenced Br-Zr-H-H-Zr-Br and arranged such that hydride lies in zigzag chains of distorted metal tetrahedra (or butterflies) (d(Zr-D) = 2.03-2.20 A; d(D-D) = 2.93 A). The structure is intermediate between ZrBr (ccp) and ZrBrHmore » (hcp heavy atoms, double H in trigonal-antiprismatic interstices) and can be generated by concerted intraslab slippage from either. The hemihydride effectively retains most of the strong Zr-Zr bonding of the ZrBr parent while tetrahedral bonding of hydrogen to metal is gained that is absent in ZrBrH. The energetics associated with the contrasting structures of YClH/sub x/ (ZrBr type) and ZrBrH are considered in terms of the results of extended-Hueckel band calculations. 25 references, 7 figures, 3 tables.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1999PhyB..259..244D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1999PhyB..259..244D"><span>Effect of Pd substitution for Ni on magnetism in UNiAl</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Dremov, R. V.; Andreev, A. V.; Šebek, J.; Mushnikov, N. V.; Goto, T.; Havela, L.; Sechovský, V.; Shiokawa, Y.; Homma, Y.</p> <p>1999-01-01</p> <p>Itinerant 5f-electron antiferromagnet UNiAl ( TN=19.3 K) undergoes a metamagnetic transition in fields ( Bc≈11 T) applied along the c-axis of the hexagonal ZrNiAl-type structure. The same structure is preserved in the UNi 1- xPd xAl solid solutions x⩽0.4 characterized by isotropic lattice expansion with increasing x. The gradual increase of Bc and TN due to the Pd doping can be tentatively attributed to enhancement of antiferromagnetic exchange interactions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4742876','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4742876"><span>New ZrO2/Al2O3 Nanocomposite Fabricated from Hybrid Nanoparticles Prepared by CO2 Laser Co-Vaporization</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Bartolomé, José F.; Smirnov, Anton; Kurland, Heinz-Dieter; Grabow, Janet; Müller, Frank A.</p> <p>2016-01-01</p> <p>Alumina toughened zirconia (ATZ) and zirconia toughened alumina (ZTA) are currently the materials of choice to meet the need for tough, strong, and bioinert ceramics for medical devices. However, the mechanical properties of ZrO2/Al2O3 dispersion ceramics could be considerably increased by reducing the corresponding grain sizes and by improving the homogeneity of the phase dispersion. Here, we prepare nanoparticles with an intraparticular phase distribution of Zr(1−x)AlxO(2−x/2) and (γ-, δ-)Al2O3 by the simultaneous gas phase condensation of laser co-vaporized zirconia and alumina raw powders. During subsequent spark plasma sintering the zirconia defect structures and transition alumina phases transform to a homogeneously distributed dispersion of tetragonal ZrO2 (52.4 vol%) and α-Al2O3 (47.6 vol%). Ceramics sintered by spark plasma sintering are completely dense with average grain sizes in the range around 250 nm. Outstanding mechanical properties (flexural strength σf = 1500 MPa, fracture toughness KIc = 6.8 MPa m1/2) together with a high resistance against low temperature degradation make these materials promising candidates for next generation bioceramics in total hip replacements and for dental implants. PMID:26846310</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016NatSR...620589B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016NatSR...620589B"><span>New ZrO2/Al2O3 Nanocomposite Fabricated from Hybrid Nanoparticles Prepared by CO2 Laser Co-Vaporization</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Bartolomé, José F.; Smirnov, Anton; Kurland, Heinz-Dieter; Grabow, Janet; Müller, Frank A.</p> <p>2016-02-01</p> <p>Alumina toughened zirconia (ATZ) and zirconia toughened alumina (ZTA) are currently the materials of choice to meet the need for tough, strong, and bioinert ceramics for medical devices. However, the mechanical properties of ZrO2/Al2O3 dispersion ceramics could be considerably increased by reducing the corresponding grain sizes and by improving the homogeneity of the phase dispersion. Here, we prepare nanoparticles with an intraparticular phase distribution of Zr(1-x)AlxO(2-x/2) and (γ-, δ-)Al2O3 by the simultaneous gas phase condensation of laser co-vaporized zirconia and alumina raw powders. During subsequent spark plasma sintering the zirconia defect structures and transition alumina phases transform to a homogeneously distributed dispersion of tetragonal ZrO2 (52.4 vol%) and α-Al2O3 (47.6 vol%). Ceramics sintered by spark plasma sintering are completely dense with average grain sizes in the range around 250 nm. Outstanding mechanical properties (flexural strength σf = 1500 MPa, fracture toughness KIc = 6.8 MPa m1/2) together with a high resistance against low temperature degradation make these materials promising candidates for next generation bioceramics in total hip replacements and for dental implants.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1327654','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1327654"><span>Evaluation of AlGaN/GaN high electron mobility transistors grown on ZrTi buffer layers with sapphire substrates</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Ren, Fan; Pearton, Stephen J.; Ahn, Shihyun</p> <p></p> <p>Here, AlGaN/GaN high electron mobility transistors (HEMTs) have been grown on sapphire substrates, using ZrTi buffer layers to provide in-plane lattice-matching to hexagonal GaN. X-ray diffraction (XRD) as well as cross-section transmission electron microscopy (TEM) were used to assess the quality of the HEMT structure. The XRD 2θ scans showed full-width-at-half-maximum values of 0.16°, 0.07°, and 0.08° for ZrTi alloy, GaN buffer layer, and the entire HEMT structure, respectively. TEM studies of the GaN buffer layer and the AlN/ZrTi/AlN stack showed the importance of growing thin AlN buffer layers on the ZrTi layer prior to growth of the GaN buffermore » layer. The density of threading dislocations in the GaN channel layer of the HEMT structure was estimated to be in the 10 8 cm –2 range. The HEMT device exhibited a saturation drain current density of 820 mA/mm, and the channel of the fabricated HEMTs could be well modulated. A cutoff frequency (f T) of 8.9 GHz and a maximum frequency of oscillation (f max) of 17.3 GHz were achieved for HEMTs with gate dimensions of 1 × 200 μm.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1327654-evaluation-algan-gan-high-electron-mobility-transistors-grown-zrti-buffer-layers-sapphire-substrates','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1327654-evaluation-algan-gan-high-electron-mobility-transistors-grown-zrti-buffer-layers-sapphire-substrates"><span>Evaluation of AlGaN/GaN high electron mobility transistors grown on ZrTi buffer layers with sapphire substrates</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Ren, Fan; Pearton, Stephen J.; Ahn, Shihyun; ...</p> <p>2016-09-21</p> <p>Here, AlGaN/GaN high electron mobility transistors (HEMTs) have been grown on sapphire substrates, using ZrTi buffer layers to provide in-plane lattice-matching to hexagonal GaN. X-ray diffraction (XRD) as well as cross-section transmission electron microscopy (TEM) were used to assess the quality of the HEMT structure. The XRD 2θ scans showed full-width-at-half-maximum values of 0.16°, 0.07°, and 0.08° for ZrTi alloy, GaN buffer layer, and the entire HEMT structure, respectively. TEM studies of the GaN buffer layer and the AlN/ZrTi/AlN stack showed the importance of growing thin AlN buffer layers on the ZrTi layer prior to growth of the GaN buffermore » layer. The density of threading dislocations in the GaN channel layer of the HEMT structure was estimated to be in the 10 8 cm –2 range. The HEMT device exhibited a saturation drain current density of 820 mA/mm, and the channel of the fabricated HEMTs could be well modulated. A cutoff frequency (f T) of 8.9 GHz and a maximum frequency of oscillation (f max) of 17.3 GHz were achieved for HEMTs with gate dimensions of 1 × 200 μm.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015PMM...116.1108K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015PMM...116.1108K"><span>Structure of aging Al-Li-Cu-Zr-Sc-Ag alloy after severe plastic deformation and long-term storage</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kaigorodova, L. I.; Rasposienko, D. Yu.; Pushin, V. G.; Pilyugin, V. P.; Smirnov, S. V.</p> <p>2015-11-01</p> <p>Structural and phase transformations in commercial aging aluminum-lithium Al-1.2 Li-3.2 Cu-0.09 Zr-0.11 Sc-0.4 Ag-0.3 Mg alloy have been studied after severe plastic deformation by high-pressure torsion (at a pressure of 4 GPa with 1, 5, and 10 revolutions of the anvil) and natural aging (roomtemperature storage) for 1 week and 2 years. It has been found that, in this case, the process of static recrystallization is achieved in the alloy, the degree of which increases with an increasing degree of deformation and time of storage.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2008JTST...17..853B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2008JTST...17..853B"><span>Development of Oxide Dispersion Strengthened MCrAlY Coatings</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Bobzin, K.; Schläfer, T.; Richardt, K.; Brühl, M.</p> <p>2008-12-01</p> <p>MCrAlY materials are widely used as bond coats for thermal barrier coatings on turbine blades. The aim of this work is to improve mechanical properties and wear resistance of thermal sprayed NiCoCrAlY-coatings by strengthening the coating with hard phase particles. In order to retain the effect of the dispersion reinforcement at high temperatures, the use of temperature-stable oxide hard phases such as ZrO2-Y2O3 is necessary. To realize this new material structure, the high-energy ball-milling process is applied and analyzed. The mixture ratio between NiCoCrAlY and ZrO2-Y2O3 was varied between 5 and 10 wt.% ZrO2-Y2O3. The influences of the milling time of the high-energy ball-milling process on the distribution of the hard phases in the metal matrix were analyzed. After spraying with a HVOF system the mechanical properties of the coatings are measured and compared with conventional NiCoCrAlY coatings.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1399403-algan-gan-high-electron-mobility-transistor-grown-fabricated-zrti-metallic-alloy-buffer-layers','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1399403-algan-gan-high-electron-mobility-transistor-grown-fabricated-zrti-metallic-alloy-buffer-layers"><span>AlGaN/GaN High Electron Mobility Transistor Grown and Fabricated on ZrTi Metallic Alloy Buffer Layers</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Ren, Fan; Pearton, Stephen J.; Ahn, Shihyun; ...</p> <p>2017-09-26</p> <p>AlGaN/GaN high electron mobility transistors (HEMTs) were demonstrated for structures grown on ZrTi metallic alloy buffer layers, which provided lattice matching of the in-plane lattice parameter (“a-parameter”) to hexagonal GaN. The quality of the GaN buffer layer and HEMT structure were confirmed with X-ray 2θ and rocking scans as well as cross-section transmission electron microscopy (TEM) images. The X-ray 2θ scans showed full widths at half maximum (FWHM) of 0.06°, 0.05° and 0.08° for ZrTi alloy, GaN buffer layer, and the entire HEMT structure, respectively. TEM of the lower section of the HEMT structure containing the GaN buffer layer andmore » the AlN/ZrTi/AlN stack on the Si substrate showed that it was important to grow AlN on the top of ZrTi prior to growing the GaN buffer layer. Finally, the estimated threading dislocation (TD) density in the GaN channel layer of the HEMT structure was in the 10 8 cm -2 range.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MMI....23.1216K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MMI....23.1216K"><span>Formation of crystalline phase in the glass matrix of Zr-Co-Al glass-matrix composites and its effect on their mechanical properties</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kim, Woo Chul; Kim, Kang Chul; Na, Min Young; Jeong, Seok Hoan; Kim, Won Tae; Kim, Do Hyang</p> <p>2017-11-01</p> <p>The microstructural evolution and mechanical properties of Zr-Co-Al alloys, with compositions of (Zr50Co50)x (Zr56Co26Al18)1-x (x = 1/6, 2/6, 3/6, 4/6, 5/6, 1) and Zr54Co35Al11, (referred to as Z1, Z2, Z3, Z4, Z5, Z6, and Z4.5), were investigated. Alloys Z1-Z3 consisted of crystalline phases, while alloys Z4 and Z4.5 consisted of crystalline phase particles ( 3 vol% and 35 vol%, respectively) embedded within the glassy matrix. Alloys Z5 and Z6 consisted of a monolithic glass phase. The crystalline phase of alloys Z1-Z4.5 consisted of primary B2-ZrCo dendrite and an interdendritic B2-ZrCo/Zr6CoAl2 eutectic phase. The B2-ZrCo dendritic phase exhibited a high work-hardening rate, which originated from the deformation-induced B2-to-B33 martensitic transformation. However, when the brittle interdendritic B2-ZrCo/Zr6CoAl2 eutectic phase fraction increased, the work-hardening rate significantly decreased. The ductility of the glass-matrix composites was significantly impaired by the presence of the interdendritic eutectic phase in the crystalline phase. The results indicate that the design of the crystalline particle microstructure is important with regard to enhancing the plasticity of glass-matrix composites.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1996JPCM....811213D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1996JPCM....811213D"><span>Geometrically frustrated magnetic structures of the heavy-fermion compound CePdAl studied by powder neutron diffraction</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Dönni, A.; Ehlers, G.; Maletta, H.; Fischer, P.; Kitazawa, H.; Zolliker, M.</p> <p>1996-12-01</p> <p>The heavy-fermion compound CePdAl with ZrNiAl-type crystal structure (hexagonal space group 0953-8984/8/50/043/img8) was investigated by powder neutron diffraction. The triangular coordination symmetry of magnetic Ce atoms on site 3f gives rise to geometrical frustration. CePdAl orders below 0953-8984/8/50/043/img9 with an incommensurate antiferromagnetic propagation vector 0953-8984/8/50/043/img10, and a longitudinal sine-wave (LSW) modulated spin arrangement. Magnetically ordered moments at Ce(1) and Ce(3) coexist with frustrated disordered moments at Ce(2). The experimentally determined magnetic structure is in agreement with group theoretical symmetry analysis considerations, calculated by the program MODY, which confirm that for Ce(2) an ordered magnetic moment parallel to the magnetically easy c-axis is forbidden by symmetry. Further low-temperature experiments give evidence for a second magnetic phase transition in CePdAl between 0.6 and 1.3 K. Magnetic structures of CePdAl are compared with those of the isostructural compound TbNiAl, where a non-zero ordered magnetic moment for the geometrically frustrated Tb(2) atoms is allowed by symmetry.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1224037','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1224037"><span>Max Phase Materials And Coatings For High Temperature Heat Transfer Applications</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Martinez-Rodriguez, M.; Garcia-Diaz, B.; Olson, L.</p> <p>2015-10-19</p> <p>Molten salts have been used as heat transfer fluids in a variety of applications within proposed Gen IV nuclear designs and in advanced power system such as Concentrating Solar Power (CSP). However, operating at elevated temperatures can cause corrosion in many materials. This work developed coating technologies for MAX phase materials on Haynes-230 and characterized the corrosion of the coatings in the presence of commercial MgCl 2-KCl molten salt. Cold spraying of Ti 2AlC and physical vapor deposition (PVD) of Ti 2AlC or Zr 2AlC were tested to determine the most effective form of coating MAX phases on structural substrates.more » Corrosion testing at 850°C for 100 hrs showed that 3.9 μm Ti2AlC by PVD was slightly protective while 117 μm Ti 2AlC by cold spray and 3.6 μm Zr 2AlC by PVD were completely protective. None of the tests showed decomposition of the coating (Ti or Zr) into the salt« less</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_2");'>2</a></li> <li><a href="#" onclick='return showDiv("page_3");'>3</a></li> <li class="active"><span>4</span></li> <li><a href="#" onclick='return showDiv("page_5");'>5</a></li> <li><a href="#" onclick='return showDiv("page_6");'>6</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_4 --> <div id="page_5" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_3");'>3</a></li> <li><a href="#" onclick='return showDiv("page_4");'>4</a></li> <li class="active"><span>5</span></li> <li><a href="#" onclick='return showDiv("page_6");'>6</a></li> <li><a href="#" onclick='return showDiv("page_7");'>7</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="81"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28427627','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28427627"><span>Hydrothermal-precipitation preparation of CdS@(Er3+:Y3Al5O12/ZrO2) coated composite and sonocatalytic degradation of caffeine.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Huang, Yingying; Wang, Guowei; Zhang, Hongbo; Li, Guanshu; Fang, Dawei; Wang, Jun; Song, Youtao</p> <p>2017-07-01</p> <p>Here, we reported a novel method to dispose caffeine by means of ultrasound irradiation combinated with CdS@(Er 3+ :Y 3 Al 5 O 12 /ZrO 2 ) coated composite as sonocatalyst. The CdS@(Er 3+ :Y 3 Al 5 O 12 /ZrO 2 ) was synthesized via hydrothermal-precipitation method and then characterized by X-ray diffractometer (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X-ray analysis (EDX) and UV-vis diffuse reflectance spectra (DRS). After that, the sonocatalytic degradation of caffeine in aqueous solution was conducted adopting CdS@(Er 3+ :Y 3 Al 5 O 12 /ZrO 2 ) and CdS@ZrO 2 coated composites as sonocatalysts. In addition, some influencing factors such as CdS and ZrO 2 molar proportion, caffeine concentration, ultrasonic irradiation time, sonocatalyst dosage and addition of several inorganic oxidants on sonocatalytic degradation of caffeine were investigated by using UV-vis spectra and gas chromatograph. The experimental results showed that the presence of Er 3+ :Y 3 Al 5 O 12 could effectively improve the sonocatalytic degradation activity of CdS@ZrO 2 . To a certain extent some inorganic oxidants can also enhance sonocatalytic degradation of caffeine in the presence of CdS@(Er 3+ :Y 3 Al 5 O 12 /ZrO 2 ). The best sonocatalytic degradation ratio (94.00%) of caffeine could be obtained when the conditions of 5.00mg/L caffeine, 1.00g/L prepared CdS@(Er 3+ :Y 3 Al 5 O 12 /ZrO 2 ), 10.00mmol/LK 2 S 2 O 8 , 180min ultrasonic irradiation (40kHz frequency and 50W output power), 100mL total volume and 25-28°C temperature were adopted. It seems that the method of sonocatalytic degradation caused by CdS@(Er 3+ :Y 3 Al 5 O 12 /ZrO 2 ) displayspotentialadvantages in disposing caffeine. Copyright © 2017 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016MMTA...47.2396S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016MMTA...47.2396S"><span>Effect of Cr, Ti, V, and Zr Micro-additions on Microstructure and Mechanical Properties of the Al-Si-Cu-Mg Cast Alloy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Shaha, S. K.; Czerwinski, F.; Kasprzak, W.; Friedman, J.; Chen, D. L.</p> <p>2016-05-01</p> <p>Uniaxial static and cyclic tests were used to assess the role of Cr, Ti, V, and Zr additions on properties of the Al-7Si-1Cu-0.5Mg (wt pct) alloy in as-cast and T6 heat-treated conditions. The microstructure of the as-cast alloy consisted of α-Al, eutectic Si, and Cu-, Mg-, and Fe-rich phases Al2.1Cu, Al8.5Si2.4Cu, Al5.2CuMg4Si5.1, and Al14Si7.1FeMg3.3. In addition, the micro-sized Cr/Zr/Ti/V-rich phases Al10.7SiTi3.6, Al6.7Si1.2TiZr1.8, Al21.4Si3.4Ti4.7VZr1.8, Al18.5Si7.3Cr2.6V, Al7.9Si8.5Cr6.8V4.1Ti, Al6.3Si23.2FeCr9.2V1.6Ti1.3, Al92.2Si16.7Fe7.6Cr8.3V1.8, and Al8.2Si30.1Fe1.6Cr18.8V3.3Ti2.9Zr were present. During solution treatment, Cu-rich phases were completely dissolved, while the eutectic silicon, Fe-, and Cr/Zr/Ti/V-rich intermetallics experienced only partial dissolution. Micro-additions of Cr, Zr, Ti, and V positively affected the alloy strength. The modified alloy in the T6 temper during uniaxial tensile tests exhibited yield strength of 289 MPa and ultimate tensile strength of 342 MPa, being significantly higher than that for the Al-Si-Cu-Mg base. Besides, the cyclic yield stress of the modified alloy in the T6 state increased by 23 pct over that of the base alloy. The fatigue life of the modified alloy was substantially longer than that of the base alloy tested using the same parameters. The role of Cr, Ti, V, and Zr containing phases in controlling the alloy fracture during static and cyclic loading is discussed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018ApSS..427.1105Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018ApSS..427.1105Z"><span>Derivative effect of laser cladding on interface stability of YSZ@Ni coating on GH4169 alloy: An experimental and theoretical study</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zheng, Haizhong; Li, Bingtian; Tan, Yong; Li, Guifa; Shu, Xiaoyong; Peng, Ping</p> <p>2018-01-01</p> <p>Yttria-stabilized zirconia YSZ@Ni core-shell nanoparticles were used to prepare a thermal barrier coating (TBC) on a GH4169 alloy by laser cladding. Microstructural analysis showed that the TBC was composed of two parts: a ceramic and a bonding layer. In places where the ZrO2/Al2O3 eutectic structure was present in the ceramic layer, the Ni atoms diffused into the bonding layer, as confirmed by energy-dispersive X-ray spectroscopy (EDS). The derivative effect of laser cladding results in the original YSZ@Ni core-shell nanoparticles being translated into the Al2O3 crystal, activating the YSZ. The mechanism of ceramic/metal interface cohesion was studied in depth via first-principles and molecular dynamics simulation. The results show that the trend in the diffusion coefficients of Ni, Fe, Al, and Ti is DNi > DFe > DTi > DAl in the melting or solidification process of the material. The enthalpy of formation for Al2O3 is less than that of TiO2, resulting in a thermally grown oxide (TGO) Al2O3 phase transformation. With regard to the electronic structure, the trend in Mulliken population is QO-Ni > QZr-O > QO-Al. Although the bonding is slightly weakened between ZrO2/Al2O3 (QZr-O = 0.158 < QO-Ni = 0.220) compared to that in ZrO2/Ni, TGO Al2O3 can improve the oxidation resistance of the metal matrix. Thus, by comparing the connective and diffusive processes, our findings lay the groundwork for detailed and comprehensive studies of the laser cladding process for the production of composite materials.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2009AGUFM.V43B2245W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2009AGUFM.V43B2245W"><span>Zircon solubility and of Zr species in subduction zone fluids</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wilke, M.; Schmidt, C.; Rickers, K.; Pascarelli, S.; Manning, C. E.; Stechern, A.</p> <p>2009-12-01</p> <p>The geochemical signature of igneous rocks at convergent plate margins is thought to result from complex melt formation processes involving aqueous solutions derived from dehydration of the subducted slab. In these processes, the depletion of high-field-strength elements (HFSE) may be controlled by the presence of accessory phases such as zircon and rutile, which can strongly fractionate these elements; however, the stability and solubility of these phases depends strongly on the fluid composition, including concentration and stoichiometry of Na-Al silicate components. Here we present new data on the influence of the fluid composition on zircon solubility as well as data on the Zr complexation in these fluids at P&T. Experiments were conducted using a modified hydrothermal diamond-anvil cell (HDAC). Zr contents at P&T were determined using SR-µXRF spectra. Zr K-edge X-ray Absorption Fine Structure (XAFS) spectra were acquired to investigate the Zr complexation in-situ at P&T. A grain of synthetic crystalline zircon was equilibrated with an aqueous fluid containing Na2Si2O5 or Na2Si2O5 + Al2O3 components. XAFS and SR-µXRF spectra were taken at the dispersive beamline ID24 of the ESRF, Grenoble, France. Some additional SR-µXRF spectra were taken at HASYLAB, Hamburg, beamline L. The observed Zr concentrations in fluids containing 7-33 wt% Na2Si2O5 and variable Al contents were between 75 and 720 ppm at 500 to 750°C and ~300 MPa to ~700 MPa. These values match expected solubilities calculated from linear interpolation of the maximum solubility in pure H2O (from the detection limit) and the solubility in the most alkaline high-silica melts reported by Ellison and Hess (1986, CMP, 94, 343). The high Zr solubility in sodium silicate-bearing solutions signifies that aqueous fluids with alkali silicates offer an efficient mechanism for HFSE transport. This can be explained by complexation of HFSE with Si, Na, and perhaps also Al, via formation of polymerized solutes. The XAFS results show clear differences between spectra of Zr in an HCl solution and in H2O-Na2Si2O5 (±Al2O3) aqueous fluid, implying considerable differences in Zr complexation. The latter spectra display similarities to spectra of Zr in Na2Si2O5 glass. This may indicate a similar structural environment for the two examined states, and thus point to Zr in (alumino)-silicate-based polymeric units in the aqueous solutions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2009ApPhL..94i1904F','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2009ApPhL..94i1904F"><span>Al-centered icosahedral ordering in Cu46Zr46Al8 bulk metallic glass</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Fang, H. Z.; Hui, X.; Chen, G. L.; Liu, Z. K.</p> <p>2009-03-01</p> <p>Icosahedral short-range order, of which Al atoms are caged in the center of icosahedra with Cu and Zr atoms being the vertices, has been evidenced in the Cu46Zr46Al8 glassy structure by ab initio molecular dynamics simulation. These Al-centered clusters distribute irregularly in the three-dimensional space and form a "backbone" structure of the Cu46Zr46Al8 glass alloy. It is suggested that this kind of local structural feature is attributed to the requirement of efficient dense packing and the chemical affinity between Zr-Zr, Zr-Al, and Cu-Zr atoms. Our calculated results are found to be in good agreement with the experimental data.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/11924','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/11924"><span>Magnetic properties and crystal structure of RENiA1 and UniA1 hydrides.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Bordallo, H. N.; Drulis, H.; Havela, L.</p> <p>1999-08-11</p> <p>RENiAl (RE = rare-earth metal) and UNiAl compounds crystallizing in the hexagonal ZrNiAl-type structure (space group P{bar 6}2m) can absorb up to 2 and 3 hydrogen (deuterium) atoms per formula unit, respectively. Hydrogenation leads to a notable lattice expansion and modification of magnetic properties. However, the impact of hydrogenation on magnetism is the opposite for 4f- and 5f-materials: TN(T{sub c})is lowered in the case of rare-earth hydrides, while for UNiAlH(D){sub x} it increases by an order of magnitude. Here we present results of magnetic and structure studies performed of these compounds, focusing on the correlation between magnetic and structural variationsmore » and discussing possible reasons of the striking difference in effect of hydrogenation on rare-earth and actinide intermetallics.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MMTA...48.2496M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MMTA...48.2496M"><span>Effect of Nb Content on Mechanical Behavior and Structural Properties of W/(Zr55Cu30Al10Ni5)100- x Nb x Composite</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Mahmoodan, Morteza; Gholamipour, Reza; Mirdamadi, Shamseddin; Nategh, Said</p> <p>2017-05-01</p> <p>In the present study, (Zr55Cu30Al10Ni5)100- x Nb( x=0,1,2,3) bulk metallic glass matrix/tungsten wire composites were fabricated by infiltration process. Structural studies were investigated by scanning electron microscopy and X-ray diffraction method. Also, mechanical behaviors of the materials were analyzed using quasi-static compressive tests. Results indicated that the best mechanical properties i.e., 2105 MPa compressive ultimate strength and 28 pct plastic strain before failure, were achieved in the composite sample with X = 2. It was also found that adding Nb to the matrix modified interface structure in W fiber/(Zr55Cu30Al10Ni5)98Nb2 since the stable diffusion band formation acts as a functionally graded layer. Finally, the observation of multiple shear bands formation in the matrix could confirm the excellent plastic deformation behavior of the composite.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27045947','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27045947"><span>A basin-hopping Monte Carlo investigation of the structural and energetic properties of 55- and 561-atom bimetallic nanoclusters: the examples of the ZrCu, ZrAl, and CuAl systems.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>De Souza, Douglas G; Cezar, Henrique M; Rondina, Gustavo G; de Oliveira, Marcelo F; Da Silva, Juarez L F</p> <p>2016-05-05</p> <p>We report a basin-hopping Monte Carlo investigation within the embedded-atom method of the structural and energetic properties of bimetallic ZrCu, ZrAl, and CuAl nanoclusters with 55 and 561 atoms. We found that unary Zr55, Zr561, Cu55, Cu561, Al55, and Al561 systems adopt the well known compact icosahedron (ICO) structure. The excess energy is negative for all systems and compositions, which indicates an energetic preference for the mixing of both chemical species. The ICO structure is preserved if a few atoms of the host system are replaced by different species, however, the composition limit in which the ICO structure is preserved depends on both the host and new chemical species. Using several structural analyses, three classes of structures, namely ideal ICO, nearly ICO, and distorted ICO structures, were identified. As the amounts of both chemical species change towards a more balanced composition, configurations far from the ICO structure arise and the dominant structures are nearly spherical, which indicates a strong minimization of the surface energy by decreasing the number of atoms with lower coordination on the surface. The average bond lengths follow Vegard's law almost exactly for ZrCu and ZrAl, however, this is not the case for CuAl. Furthermore, the radial distribution allowed us to identify the presence of an onion-like behavior in the surface of the 561-atom CuAl nanocluster with the Al atoms located in the outermost surface shell, which can be explained by the lower surface energies of the Al surfaces compared with the Cu surfaces. In ZrCu and ZrAl the radial distribution indicates a nearly homogeneous distribution for the chemical species, however, with a slightly higher concentration of Al atoms on the ZrAl surface, which can also be explained by the lower surface energy.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010ApSS..256.4924C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010ApSS..256.4924C"><span>The effect of chromic sulfate concentration and immersion time on the structures and anticorrosive performance of the Cr(III) conversion coatings on aluminum alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Chen, Wei-Kun; Bai, Ching-Yuan; Liu, Chung-Ming; Lin, Chao-Sung; Ger, Ming-Der</p> <p>2010-06-01</p> <p>The main purpose of this study is to develop trivalent chromium, Cr(III), conversion coatings on aluminum alloys. The influence of Cr(III) concentration and immersion time on structures and anticorrosive performance of the coatings has been investigated. Corrosion behaviors of the coatings were evaluated in a 0.5 M H 2SO 4 aqueous solution at room temperature using potentiodynamic polarization. The structure and valence state of the coatings were examined by scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS). The addition of Cr(III) ions to the conversion bath considerably changes structures and compositions of the coatings. The coatings with Cr oxides possess a denser and thinner structure. Moreover, the corrosion resistance of Cr(III) coatings tends to decline with increasing immersion time due to the dissolution of coatings in the dipping period. According to XPS analysis, the Cr(III) conversion coatings are composed of Cr 2O 3, Cr(OH) 3, Al 2O 3, Al(OH) 3, ZrO 2, Zr(OH) 4, AlF 3, and ZrF 4, but no hexavalent chromium component in the coatings. The result indicates that the coatings prepared in the solution with 0.01 M Cr(III) for 5 min have the smoothest and densest structure and the best anticorrosive performance among all of conversion coatings in this work.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015ShMeS...1...17F','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015ShMeS...1...17F"><span>Design of Heusler Precipitation Strengthened NiTi- and PdTi-Base SMAs for Cyclic Performance</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Frankel, Dana J.; Olson, Gregory B.</p> <p>2015-06-01</p> <p>For a wide range of actuation applications, the performance of NiTi-based shape memory alloys is limited by cyclic instability associated with accommodation slip. For medical applications, low-Ni compositions are also desirable. Increasing yield strength via precipitation of a coherent nanoscale Ni2TiAl-type Heusler phase from a supersaturated B2 matrix is an effective approach for eliminating slip in order to improve the stability of the functional response and increase the structural fatigue life. Quaternary additions that partition into the L21 Heusler phase, such as Zr or Pd, are favorable for reducing interphase misfit and maintaining coherency during aging. Phase relations and precipitation kinetics in quaternary Ni(TiZrAl), low-Ni (PdNi)(TiAl), and Ni-free (PdFe)(TiAl) systems are summarized from TEM and atom probe tomography data in the literature. Strengthening behavior during isothermal aging is compared in the NiTiZrAl and PdNiTiAl systems, and recent work characterizing a high-strength, low-Ni "Hybrid" (PdNi)(TiZrAl) alloy is presented. A systems design approach is taken in which an optimal microstructure for peak strengthening is identified while other property objectives such as transformation temperature, misfit, radiopacity, and biocompatibility are satisfied.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22486811-novel-high-pressure-phase-zro-sub-ab-initio-prediction','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22486811-novel-high-pressure-phase-zro-sub-ab-initio-prediction"><span>Novel high-pressure phase of ZrO{sub 2}: An ab initio prediction</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Durandurdu, Murat, E-mail: murat.durandurdu@agu.edu.tr</p> <p>2015-10-15</p> <p>The high-pressure behavior of the orthorhombic cotunnite type ZrO{sub 2} is explored using an ab initio constant pressure technique. For the first time, a novel hexagonal phase (Ni{sub 2}In type) within P6{sub 3}/mmc symmetry is predicted through the simulation. The Ni{sub 2}In type crystal is the densest high-pressure phase of ZrO{sub 2} proposed so far and has not been observed in other metal dioxides at high pressure before. The phase transformation is accompanied by a small volume drop and likely to occur around 380 GPa in experiment. - Graphical abstract: Post-cotunnite Ni{sub 2}In type hexagonal phase forms in zirconia atmore » high pressure. - Highlights: • A post-cotunnite phase is predicted for ZrO{sub 2} through an ab initio simulation. • Cotunnite ZrO{sub 2} adopts the Ni{sub 2}In type structure at high pressure. • The Ni{sub 2}In type structure is the densest high-pressure phase of ZrO{sub 2} proposed so far. • The preferred mechanism in ZrO{sub 2} differs from the other metal dioxides.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018ApSS..435..367M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018ApSS..435..367M"><span>Comparing XPS on bare and capped ZrN films grown by plasma enhanced ALD: Effect of ambient oxidation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Muneshwar, Triratna; Cadien, Ken</p> <p>2018-03-01</p> <p>In this article we compare x-ray photoelectron spectroscopy (XPS) measurements on bare- and capped- zirconium nitride (ZrN) films to investigate the effect of ambient sample oxidation on the detected bound O in the form of oxide ZrO2 and/or oxynitride ZrOxNy. ZrN films in both bare- and Al2O3/AlN capped- XPS samples were grown by plasma-enhanced atomic layer deposition (PEALD) technique using tetrakis dimethylamino zirconium (TDMAZr) precursor, forming gas (5% H2, rest N2) inductively coupled plasma (ICP), and as received research grade process gases under identical process conditions. Capped samples were prepared by depositing 1 nm thick PEALD AlN on ZrN, followed by additional deposition of 1 nm thick ALD Al2O3, without venting of ALD reactor. On bare ZrN sample at room temperature, spectroscopic ellipsometry (SE) measurements with increasing ambient exposure times (texp) showed a self-limiting surface oxidation with the oxide thickness (dox) approaching 3.7 ± 0.02 nm for texp > 120 min. In XPS data measured prior to sample sputtering (tsput = 0), ZrO2 and ZrOxNy were detected in bare- samples, whereas only ZrN and Al2O3/AlN from capping layer were detected in capped- samples. For bare-ZrN samples, appearance of ZrO2 and ZrOxNy up to sputter depth (dsput) of 15 nm in depth-profile XPS data is in contradiction with measured dox = 3.7 nm, but explained from sputtering induced atomic inter-diffusion within analyzed sample. Appearance of artifacts in the XPS spectra from moderately sputtered (dsput = 0.2 nm and 0.4 nm) capped-ZrN sample, provides an evidence to ion-bombardment induced modifications within analyzed sample.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2007ApPhL..91s2906S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2007ApPhL..91s2906S"><span>The improvement of retention time of metal-ferroelectric (PbZr0.53Ti0.47O3)-insulator (ZrO2)-semiconductor transistors and capacitors by leakage current reduction using surface treatment</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Shih, Wen-Chieh; Kang, Kun-Yung; Lee, Joseph Ya-Min</p> <p>2007-11-01</p> <p>Metal-ferroelectric-insulator-semiconductor transistors (MFISFETs) and capacitors with the structure of Al /Pb (Zr0.53,Ti0.47) O3/ZrO2/Si were fabricated. The wafers were pretreated with H2O2 before ZrO2 deposition and/or post-treated with HCl after ZrO2 deposition. The leakage current density at 5V is reduced from 10-1to5×10-6A /cm2. The subthreshold slope was improved to 91mV/decade. The MFISFETs maintain a threshold voltage window of about 1.1V after an elapsed time of 3000s. The mobility is 267cm2/Vs. The improvements are most likely due to the reduction of interfacial layer thickness and the interface states at the ZrO2/Si interface.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2006MMTA...37..803A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2006MMTA...37..803A"><span>Influence of crystallography and bonding on the structure and migration of irrational interphase boundaries</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Aaronson, H. I.</p> <p>2006-03-01</p> <p>Interphase boundary structure developed during precipitation from solid solution and during massive transformations is considered in diverse alloy systems in the presence of differences in stacking sequence across interphase boundaries. Linear misfit compensating defects, including misfit dislocations, structural disconnections, and misfit disconnections, are present over a wide range of crystallographie when both phases have metallic bonding. Misfit dislocations have also been observed when both phases have covalent bonding ( e.g., US: β US2 by Sole and van der Walt). These defects are also found when one phase is ionic and the other is metallic (Nb∶Al2O3 by Rühle et al.), albeit when the latter is formed by vapor deposition. However, when bonding is metallic in one phase but significantly covalent in the other, the structure of the interphase boundary appears to depend upon the strength of the covalent bonding relative to that in the metallically bonded phase. When this difference is large, growth can take place as if it were occurring at a free surface, resulting in orientation relationships that are irrational and conjugate habit planes that are ill matched ( e.g., ZrN: α Zr-N by Li et al. and Xe(solid):Al-Xe by Kishida and Yamaguchi). At lower levels of bonding directionality and strength, crystallography is again irrational, but now edge-to-edge-based low-energy structures can replace linear misfit compensating defects (γm:TiAl:αTi-Al by Reynolds et al.). In the perhaps still smaller difference case of Widmanstätten cementite precipitated from austenite, one orientation relationship yields plates with linear misfit compensating defects at their broad faces whereas another (presumably nucleated at different types of site) produces laths with poorly defined shapes and interfacial structures. Hence, Hume-Rothery-type bonding considerations can markedly affect interphase boundary structure and thus the mechanisms, kinetics, and morphology of growth.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22288733-precipitation-process-mggdy-alloy-grain-refined-al-addition','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22288733-precipitation-process-mggdy-alloy-grain-refined-al-addition"><span>Precipitation process in a Mg–Gd–Y alloy grain-refined by Al addition</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Dai, Jichun; CAST Cooperative Research Centre, Department of Materials Engineering, Monash University, Victoria 3800; Zhu, Suming, E-mail: suming.zhu@monash.edu</p> <p>2014-02-15</p> <p>The precipitation process in Mg–10Gd–3Y (wt.%) alloy grain-refined by 0.8 wt.% Al addition has been investigated by transmission electron microscopy. The alloy was given a solution treatment at 520 °C for 6 h plus 550 °C for 7 h before ageing at 250 °C. Plate-shaped intermetallic particles with the 18R-type long-period stacking ordered structure were observed in the solution-treated state. Upon isothermal ageing at 250 °C, the following precipitation sequence was identified for the α-Mg supersaturated solution: β″ (D0{sub 19}) → β′ (bco) → β{sub 1} (fcc) → β (fcc). The observed precipitation process and age hardening response in themore » Al grain-refined Mg–10Gd–3Y alloy are compared with those reported in the Zr grain-refined counterpart. - Highlights: • The precipitation process in Mg–10Gd–3Y–0.8Al (wt.%) alloy has been investigated. • Particles with the 18R-type LPSO structure were observed in the solution state. • Upon ageing at 250 °C, the precipitation sequence is: β″ → β′ → β1 (fcc) → β. • The Al grain-refined alloy has a lower hardness than the Zr refined counterpart.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=20050201786&hterms=microstructure&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D60%26Ntt%3Dmicrostructure','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=20050201786&hterms=microstructure&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D60%26Ntt%3Dmicrostructure"><span>Tensile Strength and Microstructure of Al2O3-ZrO2 Hypo-Eutectic Fibers Studied</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Farmer, Serene C.; Sayir, Ali</p> <p>2001-01-01</p> <p>Oxide eutectics offer high-temperature strength retention and creep resistance in oxidizing environments. Al2O3-ZrO2 eutectic strengths have been studied since the 1970's. Directionally solidified oxide eutectics exhibit improved resistance to slow crack growth and excellent strength retention at high temperatures up to 1400 C. Materials studied typically contain Y2O3 to metastably retain the high-temperature cubic and tetragonal polymorphs at room temperature. Al2O3-ZrO2 is of fundamental interest for creep studies because it combines a creep-resistant material, Al2O3, with a very low creep resistance material, ZrO2. Results on mechanical properties and microstructures of these materials will be used to define compositions for creep testing in future work. Substantial variations from the eutectic alumina to zirconia ratio can be tolerated without a loss in room-temperature strength. The effect of increasing Y2O3 addition on the room-temperature tensile strength of an Al2O3-ZrO2 material containing excess Al2O3 was examined at the NASA Glenn Research Center, where the materials were grown using Glenn's world-class laser growth facilities.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3072521','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=3072521"><span>On the Synergistic Catalytic Properties of Bimetallic Mesoporous Materials Containing Aluminum and Zirconium: The Prins Cyclisation of Citronellal</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Telalović, Selvedin; Ramanathan, Anand; Ng, Jeck Fei; Maheswari, Rajamanickam; Kwakernaak, Cees; Soulimani, Fouad; Brouwer, Hans C; Chuah, Gaik Khuan; Weckhuysen, Bert M; Hanefeld, Ulf</p> <p>2011-01-01</p> <p>Bimetallic three-dimensional amorphous mesoporous materials, Al-Zr-TUD-1 materials, were synthesised by using a surfactant-free, one-pot procedure employing triethanolamine (TEA) as a complexing reagent. The amount of aluminium and zirconium was varied in order to study the effect of these metals on the Brønsted and Lewis acidity, as well as on the resulting catalytic activity of the material. The materials were characterised by various techniques, including elemental analysis, X-ray diffraction, high-resolution TEM, N2 physisorption, temperature-programmed desorption (TPD) of NH3, and 27Al MAS NMR, XPS and FT-IR spectroscopy using pyridine and CO as probe molecules. Al-Zr-TUD-1 materials are mesoporous with surface areas ranging from 700–900 m2 g−1, an average pore size of around 4 nm and a pore volume of around 0.70 cm3 g−1. The synthesised Al-Zr-TUD-1 materials were tested as catalyst materials in the Lewis acid catalysed Meerwein–Ponndorf–Verley reduction of 4-tert-butylcyclohexanone, the intermolecular Prins synthesis of nopol and in the intramolecular Prins cyclisation of citronellal. Although Al-Zr-TUD-1 catalysts possess a lower amount of acid sites than their monometallic counterparts, according to TPD of NH3, these materials outperformed those of the monometallic Al-TUD-1 as well as Zr-TUD-1 in the Prins cyclisation of citronellal. This proves the existence of synergistic properties of Al-Zr-TUD-1. Due to the intramolecular nature of the Prins cyclisation of citronellal, the hydrophilic surface of the catalyst as well as the presence of both Brønsted and Lewis acid sites synergy could be obtained with bimetallic Al-Zr-TUD-1. Besides spectroscopic investigation of the active sites of the catalyst material a thorough testing of the catalyst in different types of reactions is crucial in identifying its specific active sites. PMID:21259348</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22732480','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22732480"><span>Fabrication and mechanical properties of Al2O3/SiC/ZrO2 functionally graded material by electrophoretic deposition.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Askari, E; Mehrali, M; Metselaar, I H S C; Kadri, N A; Rahman, Md M</p> <p>2012-08-01</p> <p>This study describes the synthesis of Al(2)O(3)/SiC/ZrO(2) functionally graded material (FGM) in bio-implants (artificial joints) by electrophoretic deposition (EPD). A suitable suspension that was based on 2-butanone was applied for the EPD of Al(2)O(3)/SiC/ZrO(2), and a pressureless sintering process was applied as a presintering. Hot isostatic pressing (HIP) was used to densify the deposit, with beneficial mechanical properties after 2 h at 1800 °C in Ar atmosphere. The maximum hardness in the outer layer (90 vol.% Al(2)O(3)+10 vol.% SiC) and maximum fracture toughness in the core layer (75 vol.% Al(2)O(3)+10 vol.% SiC + 15 vol.% ZrO(2)) composite were 20.8±0.3 GPa and 8±0.1 MPa m(1/2), respectively. The results, when compared with results from Al(2)O(3)/ZrO(2) FGM, showed that SiC increased the compressive stresses in the outer layers, while the inner layers were under a residual tensile stress. Copyright © 2012 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/19566147','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/19566147"><span>Threshold photoionization and density functional theory studies of bimetallic-carbide nanocrystals and fragments: Ta3ZrC(y) (y = 0-4).</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Dryza, V; Metha, G F</p> <p>2009-06-28</p> <p>Gas-phase bimetallic tantalum-zirconium-carbide clusters are generated using a constructed double ablation cluster source. The Ta(3)ZrC(y) (y = 0-4) clusters are examined by photoionization efficiency spectroscopy to extract experimental ionization energies (IEs). The IE trend for the Ta(3)ZrC(y) cluster series is reasonably similar to that of the Ta(4)C(y) cluster series [V. Dryza et al., J. Phys. Chem. A 109, 11180 (2005)], although the IE reductions upon carbon addition are greater for the former. Complementary density functional theory calculations are performed for the various isomers constructed by attaching carbon atoms to the different faces of the tetrahedral Ta(3)Zr cluster. The good agreement between the experimental IE trend and that calculated for these isomers support a 2x2x2 face centered cubic nanocrystal structure for Ta(4)ZrC(4) and nanocrystal fragment structures for the smaller clusters.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JOM....69l2644L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JOM....69l2644L"><span>Preparation of Aluminum-Zirconium Master Alloy by Aluminothermic Reduction in Cryolite Melt</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Liu, Fengguo; Ding, Chenliang; Tao, Wenju; Hu, Xianwei; Gao, Bingliang; Shi, Zhongning; Wang, Zhaowen</p> <p>2017-12-01</p> <p>Al-Zr master alloy was prepared by aluminothermic reduction in cryolite melt without alumina impurity. The Al-Zr master alloy was characterized by x-ray diffraction, scanning electron microscopy, and energy-dispersive spectroscopy. The composition of the master alloy was analyzed by inductively coupled plasma optical emission spectrometry. The results indicated that Al-Zr master alloy with high purity could be obtained when byproduct Al2O3 was dissolved in the cryolite melt. The Al-Zr alloy was embedded in the Al matrix in the form of Al3Zr phase with long rod or tetragonal morphology due to temperature variation. Finally, we obtained Al-Zr alloy with 7 wt.% Zr by aluminothermic reduction for 90 min in cryolite melt at 980°C.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_3");'>3</a></li> <li><a href="#" onclick='return showDiv("page_4");'>4</a></li> <li class="active"><span>5</span></li> <li><a href="#" onclick='return showDiv("page_6");'>6</a></li> <li><a href="#" onclick='return showDiv("page_7");'>7</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_5 --> <div id="page_6" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_4");'>4</a></li> <li><a href="#" onclick='return showDiv("page_5");'>5</a></li> <li class="active"><span>6</span></li> <li><a href="#" onclick='return showDiv("page_7");'>7</a></li> <li><a href="#" onclick='return showDiv("page_8");'>8</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="101"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22054193-cluster-self-organization-inorganic-crystal-forming-systems-templated-nanocluster-precursors-self-assembly-framework-mt-structures-zr-silicates-na-ca-sr','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22054193-cluster-self-organization-inorganic-crystal-forming-systems-templated-nanocluster-precursors-self-assembly-framework-mt-structures-zr-silicates-na-ca-sr"><span>Cluster self-organization of inorganic crystal-forming systems: Templated nanocluster precursors and self-assembly of framework MT structures of A/B,Zr silicates (A = Na, K; B = Ca, Sr)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Ilyushin, G. D., E-mail: ilyushin@ns.crys.ras.ru</p> <p></p> <p>The basic concepts that are used to describe crystallization as a phenomenon of the hierarchical (cluster) self-organization of a chemical system are considered. The templation of theoretically possible nan-ocluster precursors composed of M octahedra and T tetrahedra by atoms of (A) alkaline and (B) alkaline earth metals is considered for the first time. A relationship between the A/B,M,T composition of templated nanocluster precursors with the composition of A/B,M silicates is established. The model that is developed is used to search for nanocluster precursors in framework MT structures of A/B,Zr silicates. Computer methods (TOPOS 4.0 program package) were used to performmore » complete 3D reconstruction of the self-assembly of all (four) structural types of A/B,Zr silicates (A = Na, K; B = Ca, Sr) with frameworks of the MT{sub 2}O{sub 7} type: nan-ocluster precursor S{sub 3}{sup 0}-primary chain S{sub 3}{sup 1}-microlayer S{sub 3}{sup 2}-microframework S{sub 3}{sup 3}. The invariant type of mono-cyclic nanocluster precursor M{sub 2}T{sub 4} (with the point symmetries 1-bar and 2), stabilized by one or two template cations (A and B), is determined. Bifurcations of the paths of evolution at the S{sub 3}{sup 1} level (structural branching point) are established for the self-assembly of the following frameworks: MT-1 in CaZrSi{sub 2}O{sub 7} (gittinsite, C2), MT-2 in SrZrSi{sub 2}O{sub 7} (P2{sub 1}/c); MT-3 in Na{sub 2}ZrSi{sub 2}O{sub 7} (parakeldyshite,), K{sub 2}ZrSi{sub 2}O{sub 7} (khibinskite, P2{sub 1}/b), and K{sub 2}ZrGe{sub 2}O{sub 7} (C2/c); and MT-4 in Na{sub 2}ZrSi{sub 2}O{sub 7} (H{sub 2}O)(C2/c), Na{sub 3}ScSi{sub 2}O{sub 7} (Pbnm), and K{sub 3}ScSi{sub 2}O{sub 7} (P6{sub 3}/mmc).« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018MMTA...49.3047M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018MMTA...49.3047M"><span>Enhancement of High Temperature Strength of 2219 Alloys Through Small Additions of Nb and Zr and a Novel Heat Treatment</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Mondol, S.; Makineni, S. K.; Kumar, S.; Chattopadhyay, K.</p> <p>2018-07-01</p> <p>This paper presents a detailed investigation on the effect of small amount of Nb and Zr additions to 2219 Al alloy coupled with a novel three-stage heat treatment process. The main aim of the work is to increase the high temperature strength of 2219 alloy by introducing thermally stable L12 type ordered precipitates in the matrix as well as by reducing the coarsening of metastable strengthening θ″ and θ' precipitates. To achieve this, small amounts of Nb and Zr are added to 2219 alloy melt and retained in solid solution by suction casting in a water-cooled copper mould having a cooling rate of 102 to 103 K/s. The suction cast alloy is directly aged at 673 K (400 °C) to form L12 type ordered coherent Al3Zr precipitates. Subsequently, the alloy is solution treated at 808 K (535 °C) for 30 minutes to get supersaturation of Cu in the matrix without significantly affecting the Al3Zr precipitates. Finally, the alloy is aged at 473 K (200 °C), which results in the precipitation of θ″ and θ'. Microstructural characterization reveals that θ″ and θ' are heterogeneously precipitated on pre-existing uniformly distributed Al3Zr precipitates, which leads to a higher number density of these precipitates. This results in a significant increase in strength at room temperature as well as at 473 K (200 °C) as compared to the 2219 alloy. Furthermore, the alloy remains thermally stable after prolonged exposure at 473 K (200 °C), which is attributed to the elastic strain energy minimization by the conjoint Al3Zr/ θ' or Al3Zr/ θ″ precipitates, and the high Zr and Nb solute-vacancy binding energy, retarding the growth and coarsening of θ″ and θ' precipitates.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018MMTA..tmp.1516M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018MMTA..tmp.1516M"><span>Enhancement of High Temperature Strength of 2219 Alloys Through Small Additions of Nb and Zr and a Novel Heat Treatment</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Mondol, S.; Makineni, S. K.; Kumar, S.; Chattopadhyay, K.</p> <p>2018-05-01</p> <p>This paper presents a detailed investigation on the effect of small amount of Nb and Zr additions to 2219 Al alloy coupled with a novel three-stage heat treatment process. The main aim of the work is to increase the high temperature strength of 2219 alloy by introducing thermally stable L12 type ordered precipitates in the matrix as well as by reducing the coarsening of metastable strengthening θ″ and θ' precipitates. To achieve this, small amounts of Nb and Zr are added to 2219 alloy melt and retained in solid solution by suction casting in a water-cooled copper mould having a cooling rate of 102 to 103 K/s. The suction cast alloy is directly aged at 673 K (400 °C) to form L12 type ordered coherent Al3Zr precipitates. Subsequently, the alloy is solution treated at 808 K (535 °C) for 30 minutes to get supersaturation of Cu in the matrix without significantly affecting the Al3Zr precipitates. Finally, the alloy is aged at 473 K (200 °C), which results in the precipitation of θ″ and θ'. Microstructural characterization reveals that θ″ and θ' are heterogeneously precipitated on pre-existing uniformly distributed Al3Zr precipitates, which leads to a higher number density of these precipitates. This results in a significant increase in strength at room temperature as well as at 473 K (200 °C) as compared to the 2219 alloy. Furthermore, the alloy remains thermally stable after prolonged exposure at 473 K (200 °C), which is attributed to the elastic strain energy minimization by the conjoint Al3Zr/θ' or Al3Zr/θ″ precipitates, and the high Zr and Nb solute-vacancy binding energy, retarding the growth and coarsening of θ″ and θ' precipitates.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JAP...123e5101L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JAP...123e5101L"><span>Effects of Al addition on atomic structure of Cu-Zr metallic glass</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Li, Feng; Zhang, Huajian; Liu, Xiongjun; Dong, Yuecheng; Yu, Chunyan; Lu, Zhaoping</p> <p>2018-02-01</p> <p>The atomic structures of Cu52Zr48 and Cu45Zr48Al7 metallic glasses (MGs) have been studied by molecular dynamic simulations. The results reveal that the molar volume of the Cu45Zr48Al7 MG is smaller than that of the Cu52Zr48 MG, although the size of the Al atom is larger than that of the Cu atom, implying an enhanced atomic packing density achieved by introducing Al into the ternary MG. Bond shortening in unlike atomic pairs Zr-Al and Cu-Al is observed in the Cu45Zr48Al7 MG, which is attributed to strong interactions between Al and (Zr, Cu) atoms. Meanwhile, the atomic packing efficiency is enhanced by the minor addition of Al. Compared with the Cu52Zr48 binary MG, the potential energy of the ternary MG decreases and the glass transition temperature increases. Structural analyses indicate that more Cu- and Al-centered full icosahedral clusters emerge in the Cu45Zr48Al7 MG as some Cu atoms are substituted by Al. Furthermore, the addition of Al leads to more icosahedral medium-range orders in the ternary MG. The increase of full icosahedral clusters and the enhancement of the packing density are responsible for the improved glass-forming ability of Cu45Zr48Al7.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/758832','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/758832"><span>Structural, electronic and chemical properties of metal/oxide and oxide/oxide interfaces and thin film structures</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Lad, Robert J.</p> <p>1999-12-14</p> <p>This project focused on three different aspects of oxide thin film systems: (1) Model metal/oxide and oxide/oxide interface studies were carried out by depositing ultra-thin metal (Al, K, Mg) and oxide (MgO, AlO{sub x}) films on TiO{sub 2}, NiO and {alpha}-Al{sub 2}O{sub 3} single crystal oxide substrates. (2) Electron cyclotron resonance (ECR) oxygen plasma deposition was used to fabricate AlO{sub 3} and ZrO{sub 2} films on sapphire substrates, and film growth mechanisms and structural characteristics were investigated. (3) The friction and wear characteristics of ZrO{sub 2} films on sapphire substrates in unlubricated sliding contact were studied and correlated with filmmore » microstructure. In these studies, thin film and interfacial regions were characterized using diffraction (RHEED, LEED, XRD), electron spectroscopies (XPS, UPS, AES), microscopy (AFM) and tribology instruments (pin-on-disk, friction microprobe, and scratch tester). By precise control of thin film microstructure, an increased understanding of the structural and chemical stability of interface regions and tribological performance of ultra-thin oxide films was achieved in these important ceramic systems.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29676904','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29676904"><span>Intricate Li-Sn Disorder in Rare-Earth Metal-Lithium Stannides. Crystal Chemistry of RE3Li4- xSn4+ x (RE = La-Nd, Sm; x < 0.3) and Eu7Li8- xSn10+ x ( x ≈ 2.0).</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Suen, Nian-Tzu; Guo, Sheng-Ping; Hoos, James; Bobev, Svilen</p> <p>2018-05-07</p> <p>Reported are the syntheses, crystal structures, and electronic structures of six rare-earth metal-lithium stannides with the general formulas RE 3 Li 4- x Sn 4+ x (RE = La-Nd, Sm) and Eu 7 Li 8- x Sn 10+ x . These new ternary compounds have been synthesized by high-temperature reactions of the corresponding elements. Their crystal structures have been established using single-crystal X-ray diffraction methods. The RE 3 Li 4- x Sn 4+ x phases crystallize in the orthorhombic body-centered space group Immm (No. 71) with the Zr 3 Cu 4 Si 4 structure type (Pearson code oI22), and the Eu 7 Li 8- x Sn 10+ x phase crystallizes in the orthorhombic base-centered space group Cmmm (No. 65) with the Ce 7 Li 8 Ge 10 structure type (Pearson code oC50). Both structures can be consdered as part of the [RESn 2 ] n [RELi 2 Sn] m homologous series, wherein the structures are intergrowths of imaginary RESn 2 (AlB 2 -like structure type) and RELi 2 Sn (MgAl 2 Cu-like structure type) fragments. Close examination the structures indicates complex occupational Li-Sn disorder, apparently governed by the drive of the structure to achieve an optimal number of valence electrons. This conclusion based on experimental results is supported by detailed electronic structure calculations, carried out using the tight-binding linear muffin-tin orbital method.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016ApPhL.108o3505T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016ApPhL.108o3505T"><span>A high performance transparent resistive switching memory made from ZrO2/AlON bilayer structure</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tsai, Tsung-Ling; Chang, Hsiang-Yu; Lou, Jesse Jen-Chung; Tseng, Tseung-Yuen</p> <p>2016-04-01</p> <p>In this study, the switching properties of an indium tin oxide (ITO)/zirconium oxide (ZrO2)/ITO single layer device and those of a device with an aluminum oxynitride (AlON) layer were investigated. The devices with highly transparent characteristics were fabricated. Compared with the ITO/ZrO2/ITO single layer device, the ITO/ZrO2/AlON/ITO bilayer device exhibited a larger ON/OFF ratio, higher endurance performance, and superior retention properties by using a simple two-step forming process. These substantial improvements in the resistive switching properties were attributed to the minimized influence of oxygen migration through the ITO top electrode (TE), which can be realized by forming an asymmetrical conductive filament with the weakest part at the ZrO2/AlON interface. Therefore, in the ITO/ZrO2/AlON/ITO bilayer device, the regions where conductive filament formation and rupture occur can be effectively moved from the TE interface to the interior of the device.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JNuM..502...76S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JNuM..502...76S"><span>Radiation response of ODS ferritic steels with different oxide particles under ion-irradiation at 550 °C</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Song, Peng; Morrall, Daniel; Zhang, Zhexian; Yabuuchi, Kiyohiro; Kimura, Akihiko</p> <p>2018-04-01</p> <p>In order to investigate the effects of oxide particles on radiation response such as hardness change and microstructural evolution, three types of oxide dispersion strengthened (ODS) ferritic steels (named Y-Ti-ODS, Y-Al-ODS and Y-Al-Zr-ODS), mostly strengthened by Y-Ti-O, Y-Al-O and Y-Zr-O dispersoids, respectively, were simultaneously irradiated with iron and helium ions at 550 °C up to a damage of 30 dpa and a corresponding helium (He) concentration of ∼3500 appm to a depth of 1000-1300 nm. A single iron ion beam irradiation was also performed for reference. Transmission electron microscopy revealed that after the dual ion irradiation helium bubbles of 2.8, 6.6 and 4.5 nm in mean diameter with the corresponding number densities of 1.1 × 1023, 2.7 × 1022 and 3.6 × 1022 m-3 were observed in Y-Ti-ODS, Y-Al-ODS and Y-Al-Zr-ODS, respectively, while no such bubbles were observed after single ion irradiation. About 80% of intragranular He bubbles were adjacent to oxide particles in the ODS ferritic steels. Although the high number density He bubbles were observed in the ODS steels, the void swelling in Y-Ti-ODS, Y-Al-ODS and Y-Al-Zr-ODS was still small and estimated to be 0.13%, 0.53% and 0.20%, respectively. The excellent swelling resistance is dominantly attributed to the high sink strength of oxide particles that depends on the morphology of particle dispersion rather than the crystal structure of the particles. In contrast, no dislocation loops were produced in any of the irradiated steels. Nanoindentation measurements showed that no irradiation hardening but softening was found in the ODS ferritic steels, which was probably due to irradiation induced dislocation recovery. The helium bubbles in high number density never contributed to the irradiation hardening of the ODS steels at these irradiation conditions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5090268','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5090268"><span>Water vapor effect on high-temperature oxidation behavior of Fe3Al intermetallics</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Chevalier, Sebastian; Juzon, Pitor; Przybylski, Kazimierz; Larpin, Jean-Pierre</p> <p>2009-01-01</p> <p>Fe3Al intermetallics (Fe3Al, Fe3Al-Zr, Fe3Al-Zr,Mo and Fe3Al-Zr, Mo, Nb) were oxidized at 950 °C in dry and humid (11 vol% water) synthetic air. Thermogravimetric measurements showed that the oxidation rates of the tested intermetallics were lower in humid air than in dry air (especially for Fe3Al-Zr, Mo and Fe3Al-Zr, Mo, Nb). The addition of small amounts of Zr, Mo or Nb improved the kinetics compared with that of the undoped Fe3Al. Fe3Al showed massive spallation, whereas Fe3Al-Zr, Fe3Al-Zr, Mo and Fe3Al-Zr, Mo, Nb produced a flat, adherent oxide layer. The rapid transformation of transient alumina into alpha alumina may explain the decrease in the oxidation rate in humid air. PMID:27877306</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/11472124','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/11472124"><span>Supported metallocene catalysts by surface organometallic chemistry. Synthesis, characterization, and reactivity in ethylene polymerization of oxide-supported mono- and biscyclopentadienyl zirconium alkyl complexes: establishment of structure/reactivity relationships.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Jezequel, M; Dufaud, V; Ruiz-Garcia, M J; Carrillo-Hermosilla, F; Neugebauer, U; Niccolai, G P; Lefebvre, F; Bayard, F; Corker, J; Fiddy, S; Evans, J; Broyer, J P; Malinge, J; Basset, J M</p> <p>2001-04-18</p> <p>The reactions of CpZr(CH(3))(3), 1, and Cp(2)Zr(CH(3))(2), 2, with partially dehydroxylated silica, silica-alumina, and alumina surfaces have been carried out with careful identification of the resulting surface organometallic complexes in order to probe the relationship between catalyst structure and polymerization activity. The characterization of the supported complexes has been achieved in most cases by in situ infrared spectroscopy, surface microanalysis, qualitative and quantitative analysis of evolved gases during surface reactions with labeled surface, solid state (1)H and (13)C NMR using (13)C-enriched compounds, and EXAFS. 1 and 2 react with silica(500) and silica-alumina(500) by simple protonolysis of one Zr-Me bond by surface silanols with formation of a single well-defined neutral compound. In the case of silica-alumina, a fraction of the supported complexes exhibits some interactions with electronically unsaturated surface aluminum sites. 1 and 2 also react with the hydroxyl groups of gamma-alumina(500), leading to several surface structures. Correlation between EXAFS and (13)C NMR data suggests, in short, two main surface structures having different environments for the methyl group: [Al](3)-OZrCp(CH(3))(2) and [Al](2)-OZrCp(CH(3))(mu-CH(3))-[Al] for the monoCp series and [Al](2)-OZrCp(2)(CH(3)) and [Al]-OZrCp(2)(mu-CH(3))-[Al] for the bisCp series. Ethylene polymerization has been carried out with all the supported complexes under various reaction conditions. Silica-supported catalysts in the absence of any cocatalyst exhibited no activity whatsoever for ethylene polymerization. When the oxide contained Lewis acidic sites, the resulting surface species were active. The activity, although improved by the presence of additional cocatalysts, remained very low by comparison with that of the homogeneous metallocene systems. This trend has been interpreted on the basis of various possible parameters, including the (p-pi)-(d-pi) back-donation of surface oxygen atoms to the zirconium center.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016ApSS..370...32Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016ApSS..370...32Z"><span>Effect of structural evolution on mechanical properties of ZrO2 coated Ti-6Al-7Nb-biomedical application</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zalnezhad, E.</p> <p>2016-05-01</p> <p>Zirconia (ZrO2) nanotube arrays were fabricated by anodizing pure zirconium (Zr) coated Ti-6Al-7Nb in fluoride/glycerol electrolyte at a constant potential of 60 V for different times. Zr was deposited atop Ti-6Al-7Nb via a physical vapor deposition magnetron sputtering (PVDMS) technique. Structural investigations of coating were performed utilizing X-ray diffraction (XRD) analysis. Field emission scanning electron microscopy (FESEM) and atomic force microscopy (AFM) were used to characterize the morphology and microstructure of coatings. Unannealed ZrO2 nanotube arrays were amorphous. Monoclinic and tetragonal ZrO2 appeared when the coated substrates were heat treated at 450 °C and 650 °C, while monoclinic ZrO2 was found at 850 °C and 900 °C. Mechanical properties, including nanohardness and modulus of elasticity, were evaluated at different annealing temperatures using a nanoindentation test. The nanoindentation results show that the nanohardness and modulus of elasticity for Ti-6AL-7Nb increased by annealing ZrO2 coated substrate at 450 °C. The nanohardness and modulus of elasticity for coated substrate decreased with annealing temperatures of 650, 850, and 900 °C. At an annealing temperature of 900 °C, cracks in the ZrO2 thin film coating occurred. The highest nanohardness and elastic modulus values of 6.34 and 218 GPa were achieved at an annealing temperature of 450 °C.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28482481','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28482481"><span>Mechanical properties and bio-tribological behaviors of novel beta-Zr-type Zr-Al-Fe-Nb alloys for biomedical applications.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Hua, Nengbin; Chen, Wenzhe; Zhang, Lei; Li, Guanghui; Liao, Zhenlong; Lin, Yan</p> <p>2017-07-01</p> <p>The present study prepares novel Zr 70+x Al 5 Fe 15-x Nb 10 (x=0, 5) alloys by arc-melting for potential biomedical application. The mechanical properties and bio-tribological behaviors of the Zr-based alloys are evaluated and compared with biomedical pure Zr. The as-prepared alloys exhibit a microstructure containing a micrometer-sized dendritic beta-Zr phase dispersed in a Zr 2 Fe-typed matrix. It is found that increasing the content of Zr is favorable for the mechanical compatibility with a combination of low Young's modulus, large plasticity, and high compressive strength. The wear resistance of the Zr-Al-Fe-Nb alloys in air and phosphate buffer saline (PBS) solution is superior to that of pure Zr. The wear mechanism of Zr-based alloys sliding in air is controlled by oxidation and abrasive wear whereas that sliding in PBS is controlled by synergistic effects of the abrasive and corrosive wear. Electrochemical measurements demonstrate that the Zr-based alloys are corrosion resistant in PBS. Their bio-corrosion resistance is improved with the increase in Zr content, which is attributed to the enrichment in Zr and decrease in Al concentration in the surface passive film of alloys. The Zr 75 Al 5 Fe 10 Nb 10 exhibits the best corrosion resistance in PBS, which contributes to its superior wear resistance in a simulated body environment. The combination of good mechanical properties, corrosion resistance, and biotribological behaviors of the Zr-Al-Fe-Nb alloys offers them potential advantages in biomedical applications. Copyright © 2017 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016PhDT........99P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016PhDT........99P"><span>Epitaxy of boron phosphide on AlN, 4H-SiC, 3C-SiC and ZrB2 substrates</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Padavala, Balabalaji</p> <p></p> <p>The semiconductor boron phosphide (BP) has many outstanding features making it attractive for developing various electronic devices, including neutron detectors. In order to improve the efficiency of these devices, BP must have high crystal quality along with the best possible electrical properties. This research is focused on growing high quality crystalline BP films on a variety of superior substrates like AlN, 4H-SiC, 3C-SiC and ZrB2 by chemical vapor deposition. In particular, the influence of various parameters such as temperature, reactant flow rates, and substrate type and its crystalline orientation on the properties of BP films were studied in detail. Twin-free BP films were produced by depositing on off-axis 4H-SiC(0001) substrate tilted 4° toward [11¯00] and crystal symmetry matched zincblende 3C-SiC. BP crystalline quality improved at higher deposition temperature (1200°C) when deposited on AlN, 4H-SiC, whereas increased strain in 3C-SiC and increased boron segregation in ZrB2 at higher temperatures limited the best deposition temperature to below 1200°C. In addition, higher flow ratios of PH 3 to B2H6 resulted in smoother films and improved quality of BP on all substrates. The FWHM of the Raman peak (6.1 cm -1), XRD BP(111) peak FWHM (0.18°) and peak ratios of BP(111)/(200) = 5157 and BP(111)/(220) = 7226 measured on AlN/sapphire were the best values reported in the literature for BP epitaxial films. The undoped films on AlN/sapphire were n-type with a highest electron mobility of 37.8 cm2/V˙s and a lowest carrier concentration of 3.15x1018 cm -3. Raman imaging had lower values of FWHM (4.8 cm-1 ) and a standard deviation (0.56 cm-1) for BP films on AlN/sapphire compared to 4H-SiC, 3C-SiC substrates. X-ray diffraction and Raman spectroscopy revealed residual tensile strain in BP on 4H-SiC, 3C-SiC, ZrB2/4H-SiC, bulk AlN substrates while compressive strain was evident on AlN/sapphire and bulk ZrB2 substrates. Among the substrates studied, AlN/sapphire proved to be the best choice for BP epitaxy, even though it did not eliminate rotational twinning in BP. The substrates investigated in this work were found to be viable for BP epitaxy and show promising potential for further enhancement of BP properties.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22475918-influence-al-content-properties-ternary-al-sub-sub-sub-alloy-films-prepared-ysz-substrates-mocvd','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22475918-influence-al-content-properties-ternary-al-sub-sub-sub-alloy-films-prepared-ysz-substrates-mocvd"><span>Influence of Al content on the properties of ternary Al{sub 2x}In{sub 2−2x}O{sub 3} alloy films prepared on YSZ (1 1 1) substrates by MOCVD</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Feng, Xianjin; Zhao, Cansong; Li, Zhao</p> <p>2015-10-15</p> <p>Highlights: • Al{sub 2x}In{sub 2−2x}O{sub 3} films were prepared on the Y-stabilized ZrO{sub 2} (1 1 1) substrates by MOCVD at 700 °C. • A phase transition from the bixbyite In{sub 2}O{sub 3} structure to the amorphous structure was observed. • The lowest resistivity of 4.7 × 10{sup −3} Ω cm was obtained for the Al{sub 0.4}In{sub 1.6}O{sub 3} film. • Tunable optical band gap from 3.7 to 4.8 eV was obtained. - Abstract: The ternary Al{sub 2x}In{sub 2−2x}O{sub 3} films with different Al contents of x [Al/(Al + In) atomic ratio] have been fabricated on the Y-stabilized ZrO{sub 2}more » (1 1 1) substrates by metal organic chemical vapor deposition at 700 °C. The structural, electrical and optical properties of the films as a result of different Al contents (x = 0.1–0.9) were investigated in detail. With the increase of Al content from 10% to 90%, a phase transition from the bixbyite In{sub 2}O{sub 3} structure with a single orientation along (1 1 1) to the amorphous structure was observed. The minimum resistivity of 4.7 × 10{sup −3} Ω cm, a carrier concentration of 1.4 × 10{sup 20} cm{sup −3} and a Hall mobility of 9.8 cm{sup 2} v{sup −1} s{sup −1} were obtained for the sample with x = 0.2. The average transmittances for the Al{sub 2x}In{sub 2−2x}O{sub 3} films in the visible range were all over 78% and the optical band gap of the films could be tuned from 3.7 to 4.8 eV.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012PhRvB..86v4202H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012PhRvB..86v4202H"><span>Thermodynamic integration based on classical atomistic simulations to determine the Gibbs energy of condensed phases: Calculation of the aluminum-zirconium system</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Harvey, J.-P.; Gheribi, A. E.; Chartrand, P.</p> <p>2012-12-01</p> <p>In this work, an in silico procedure to generate a fully coherent set of thermodynamic properties obtained from classical molecular dynamics (MD) and Monte Carlo (MC) simulations is proposed. The procedure is applied to the Al-Zr system because of its importance in the development of high strength Al-Li alloys and of bulk metallic glasses. Cohesive energies of the studied condensed phases of the Al-Zr system (the liquid phase, the fcc solid solution, and various orthorhombic stoichiometric compounds) are calculated using the modified embedded atom model (MEAM) in the second-nearest-neighbor formalism (2NN). The Al-Zr MEAM-2NN potential is parameterized in this work using ab initio and experimental data found in the literature for the AlZr3-L12 structure, while its predictive ability is confirmed for several other solid structures and for the liquid phase. The thermodynamic integration (TI) method is implemented in a general MC algorithm in order to evaluate the absolute Gibbs energy of the liquid and the fcc solutions. The entropy of mixing calculated from the TI method, combined to the enthalpy of mixing and the heat capacity data generated from MD/MC simulations performed in the isobaric-isothermal/canonical (NPT/NVT) ensembles are used to parameterize the Gibbs energy function of all the condensed phases in the Al-rich side of the Al-Zr system in a CALculation of PHAse Diagrams (CALPHAD) approach. The modified quasichemical model in the pair approximation (MQMPA) and the cluster variation method (CVM) in the tetrahedron approximation are used to define the Gibbs energy of the liquid and the fcc solid solution respectively for their entire range of composition. Thermodynamic and structural data generated from our MD/MC simulations are used as input data to parameterize these thermodynamic models. A detailed analysis of the validity and transferability of the Al-Zr MEAM-2NN potential is presented throughout our work by comparing the predicted properties obtained from this formalism with available ab initio and experimental data for both liquid and solid phases.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29630920','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29630920"><span>Resin cements formulated with thio-urethanes can strengthen porcelain and increase bond strength to ceramics.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Bacchi, Atais; Spazzin, Aloisio Oro; de Oliveira, Gabriel Rodrigues; Pfeifer, Carmem; Cesar, Paulo Francisco</p> <p>2018-06-01</p> <p>The use of thio-urethane oligomers has been shown to significantly improve the mechanical properties of resin cements (RCs). The aim of this study was to use thio-urethane-modified RC to potentially reinforce the porcelain-RC structure and to improve the bond strength to zirconia and lithium disilicate. Six oligomers were synthesized by combining thiols - pentaerythritol tetra-3-mercaptopropionate (PETMP, P) or trimethylol-tris-3-mercaptopropionate (TMP, T) - with di-functional isocyanates - 1,6-Hexanediol-diissocyante (HDDI) (aliphatic, AL) or 1,3-bis(1-isocyanato-1-methylethyl)benzene (BDI) (aromatic, AR) or Dicyclohexylmethane 4,4'-Diisocyanate (HMDI) (cyclic, CC). Thio-urethanes (20 wt%) were added to a BisGMA/UDMA/TEGDMA organic matrix. Filler was introduced at 60 wt%. The microshear bond strength (μSBS), Weibull modulus (m), and failure pattern of RCs bonded to zirconia (ZR) and lithium disilicate (LD) ceramics was evaluated. Biaxial flexural test and fractographic analysis of porcelain discs bonded to RCs were also performed. The biaxial flexural strength (σ bf ) and m were calculated in the tensile surfaces of porcelain and RC structures (Z = 0 and Z = -t 2 , respectively). The μSBS was improved with RCs formulated with oligomers P_AL or T_AL bonded to LD and P_AL, P_AR or T_CC bonded to zirconia in comparison to controls. Mixed failures predominated in all groups. σ bf had superior values at Z = 0 with RCs formulated with oligomers P_AL, P_AR, T_AL, or T_CC in comparison to control; σ bf increased with all RCs composed by thio-urethanes at Z = -t 2 . Fractographic analysis revealed all fracture origins at Z = 0. The use of specific thio-urethane oligomers as components of RCs increased both the biaxial flexural strength of the porcelain-RC structure and the μSBS to LD and ZR. The current investigation suggests that it is possible to reinforce the porcelain-RC pair and obtain higher bond strength to LD and ZR with RCs formulated with selected types of thio-urethane oligomers. Copyright © 2018 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2003ApPhL..83..542J','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2003ApPhL..83..542J"><span>Density functional theory study of HfCl4, ZrCl4, and Al(CH3)3 decomposition on hydroxylated SiO2: Initial stage of high-k atomic layer deposition</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Jeloaica, L.; Estève, A.; Djafari Rouhani, M.; Estève, D.</p> <p>2003-07-01</p> <p>The initial stage of atomic layer deposition of HfO2, ZrO2, and Al2O3 high-k films, i.e., the decomposition of HfCl4, ZrCl4, and Al(CH3)3 precursor molecules on an OH-terminated SiO2 surface, is investigated within density functional theory. The energy barriers are determined using artificial activation of vibrational normal modes. For all precursors, reaction proceeds through the formation of intermediate complexes that have equivalent formation energies (˜-0.45 eV), and results in HCl and CH4 formation with activation energies of 0.88, 0.91, and 1.04 eV for Hf, Zr, and Al based precursors, respectively. The reaction product of Al(CH3)3 decomposition is found to be more stable (by -1.45 eV) than the chemisorbed intermediate complex compared to the endothermic decomposition of HfCl4 and ZrCl4 chemisorbed precursors (0.26 and 0.29 eV, respectively).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29112917','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29112917"><span>Influence of minor combined addition of Cr and Pr on microstructure, mechanical properties and corrosion behaviors of an ultrahigh strength Al-Zn-Mg-Cu-Zr alloy.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Wang, Ming; Huang, Lanping; Chen, Kanghua; Liu, Wensheng</p> <p>2018-01-01</p> <p>This work focuses on controlling grain boundary structure in an ultra-high strength Al-8.6Zn-2.5Mg-2.2Cu-0.16Zr (wt.%) alloy by the combined addition of trace Cr (0.1wt.%) and Pr (0.14wt.%), and evaluating mechanical properties and localized corrosion behaviors of the alloy in the peak aged condition. The introduction of trace Cr and Pr leads to the formation of nanoscale Cr, Pr-containing Al 3 Zr and Zr-containing PrCr 2 Al 20 dispersoids which can obviously inhibit the recrystallization and sub-grain growth of the super-high strength Al-Zn-Mg-Cu alloys, and retain the deformation-recovery microstructure dominated by low-angle grain boundaries. The nearly ellipsoidal dispersoids with a size of 10-35nm are discretely distributed and precipitate free zones are hardly formed in low-angle grain boundaries. This new alloy composition exhibits better combined properties, higher resistance to stress corrosion, exfoliation corrosion and inter-granular corrosion with the undamaged strength, ductility and fracture toughness. Copyright © 2017 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018MS%26E..322b2040S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018MS%26E..322b2040S"><span>Effect of heat treatment on morphology evolution of Ti2Ni phase in Ti-Ni-Al-Zr alloy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Sheng, Liyuan; Yang, Yang; Xi, Tingfei</p> <p>2018-03-01</p> <p>The Ti6Al2Zr alloy with 15 wt.% Ni addition was prepared and then heat treated in the research. The microstructure of the alloy and evolution of Ti2Ni precipitate were investigated. The microstructure observations demonstrate that the Ni addition could promote the formation of eutectoid and eutectic structures in Ti-Al-Zr alloy. In the eutectoid structure, the ultrafine Ti2Ni fiber precipitates in the α-Ti matrix, but in the eutectic structure, the fine α-Ti phases precipitate in the Ti2Ni matrix. The heat treatment could change the morphology of Ti2Ni precipitates by thinning, fragmenting, merging and spherizing. In the alloy heat treated at and below 1073K, the coarsening of α-Ti precipitates in eutectic structure and Ti2Ni precipitates in eutectoid structure is the mainly characteristic. In the alloy heat treated above 1073K, the phase transformation of α to β phase is the main characteristic, which changes the morphology and amount of Ti2Ni phase by the solid solution of Ni. The phase transformation temperature of Ti-Ni-Al-Zr alloy is between 1073-1123K, which is increased compared with that of the Ti-Ni binary phase diagram.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014JPSJ...83g4713K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014JPSJ...83g4713K"><span>New Intermetallic Ternary Phosphide Chalcogenide AP2-xXx (A = Zr, Hf; X = S, Se) Superconductors with PbFCl-Type Crystal Structure</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kitô, Hijiri; Yanagi, Yousuke; Ishida, Shigeyuki; Oka, Kunihiko; Gotoh, Yoshito; Fujihisa, Hiroshi; Yoshida, Yoshiyuki; Iyo, Akira; Eisaki, Hiroshi</p> <p>2014-07-01</p> <p>We have synthesized a series of intermetallic ternary phosphide chalcogenide superconductors, AP2-xXx (A = Zr, Hf; X = S, Se), using the high-pressure synthesis technique. These materials have a PbFCl-type crystal structure (space group P4/nmm) when x is greater than 0.3. The superconducting transition temperature Tc changes systematically with x, yielding dome-like phase diagrams. The maximum Tc is achieved at approximately x = 0.7, at which point the Tc is 6.3 K for ZrP2-xSex (x = 0.75), 5.5 K for HfP2-xSex (x = 0.7), 5.0 K for ZrP2-xSx (x = 0.675), and 4.6 K for Hfp2-xSx (x = 0.5). They are typical type-II superconductors and the upper and lower critical fields are estimated to be 2.92 T at 0 K and 0.021 T at 2 K for ZrP2-xSex (x = 0.75), respectively.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_4");'>4</a></li> <li><a href="#" onclick='return showDiv("page_5");'>5</a></li> <li class="active"><span>6</span></li> <li><a href="#" onclick='return showDiv("page_7");'>7</a></li> <li><a href="#" onclick='return showDiv("page_8");'>8</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_6 --> <div id="page_7" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_5");'>5</a></li> <li><a href="#" onclick='return showDiv("page_6");'>6</a></li> <li class="active"><span>7</span></li> <li><a href="#" onclick='return showDiv("page_8");'>8</a></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="121"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010JNuM..402....8P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010JNuM..402....8P"><span>Microstructural analysis of as-processed U-10 wt.%Mo monolithic fuel plate in AA6061 matrix with Zr diffusion barrier</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Perez, E.; Yao, B.; Keiser, D. D., Jr.; Sohn, Y. H.</p> <p>2010-07-01</p> <p>For higher U-loading in low-enriched U-10 wt.%Mo fuels, monolithic fuel plate clad in AA6061 is being developed as a part of Reduced Enrichment for Research and Test Reactor (RERTR) program. This paper reports the first characterization results from a monolithic U-10 wt.%Mo fuel plate with a Zr diffusion barrier that was fabricated as part of a plate fabrication campaign for irradiation testing in the Advanced Test Reactor (ATR). Both scanning and transmission electron microscopy (SEM and TEM) were employed for analysis. At the interface between the Zr barrier and U-10 wt.%Mo, going from Zr to U(Mo), UZr 2, γ-UZr, Zr solid-solution and Mo 2Zr phases were observed. The interface between AA6061 cladding and Zr barrier plate consisted of four layers, going from Al to Zr, (Al, Si) 2Zr, (Al, Si)Zr 3 (Al, Si) 3Zr, and AlSi 4Zr 5. Irradiation behavior of these intermetallic phases is discussed based on their constituents. Characterization of as-fabricated phase constituents and microstructure would help understand the irradiation behavior of these fuel plates, interpret post-irradiation examination, and optimize the processing parameters of monolithic fuel system.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19850002913','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19850002913"><span>The transient oxidation of single crystal NiAl+Zr. M.S. Thesis. Final Report</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Doychak, J. K.</p> <p>1983-01-01</p> <p>The 800 C oxidation of oriented single crystals of Zr doped beta-NiAl was studied using transmission electron microscopy. The oxide phases and metal-oxide orientation relationships were determined to characterize the transient stages of oxidation prior to the transformation to or formation of alpha-Al2O3. On (001) and (012) metal orientations, NiAl2O4 was the first oxide to form followed by delta-Al2O3 which becomes the predominant oxide phase. All oxides were highly epitaxially related to the metal; the orientation relationships being function of parallel cation close-packed directions in the meta and oxide. On (011) and (111) metal orientations, gamma-Al2O3 became the predominant oxide phase rather than delta-Al2O3, indicating a structural stability from the highly epitaxial oxides. The relative concentration of aluminum in the oxide scales increased with time indicating preferential gamma-or delta-Al2O3 growth. The striking feature common to the orientation relationships is the alignment of 100 m and 110 ox directions, believed to result from the minimal 3 percent mismatch between the corresponding (100)m and (110)ox planes.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018MS%26E..347a2028I','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018MS%26E..347a2028I"><span>Structure and properties of ZrB2, ZrSiB and ZrAlSiB cathode materials and coatings obtained by their magnetron sputtering</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Iatsyuk, I. V.; Lemesheva, M. V.; Kiryukhantsev-Korneev, Ph V.; Levashov, E. A.</p> <p>2018-04-01</p> <p>The ceramic ZrB2, ZrSiB, and ZrAlSiB cathodes were manufactured by means of self-propagating high-temperature synthesis (SHS). The parameters of SHS process including dependence of the combustion temperature and rate on the initial temperature of the reaction mixtures, as well as values of effective activation energy were estimated. Cathodes were subjected to the magnetron sputtering in the argon atmosphere. The structure and properties of cathodes and coatings were studied by means of X-ray diffraction, scanning electron microscopy, energy-dispersive and glow discharge optical emission spectroscopy. Bulk ceramic samples and coatings were characterised in terms of their hardness, elastic modulus, elastic recovery, density, and residual porosity. Results obtained shows that cathodes posses homogeneous structure with low porosity level in range 2-6% and hardness between 10 and 17 GPa. Coatings demonstrate dense defect-free structure and contain nanocrystallites of h-ZrB2 phase. The grain size and hardness decrease from 8 down to 2 nm and from 37 down to 16 GPa with the addition of the silicon and aluminum dopes.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PMM...118.1215S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PMM...118.1215S"><span>Effect of the Size of Al3(Sc,Zr) Precipitates on the Structure of Multi-Directionally Isothermally Forged Al-Mg-Sc-Zr Alloy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Sitdikov, O. Sh.; Avtokratova, E. V.; Mukhametdinova, O. E.; Garipova, R. N.; Markushev, M. V.</p> <p>2017-12-01</p> <p>The effect of Al3(Sc,Zr) dispersoids on the evolution of the cast Al-Mg-Sc-Zr alloy structure under multi-directional isothermal forging (MIF) has been investigated. The alloy, which has an equiaxed grain structure with a grain size of 25 μm and contains dispersoids 5-10 and 20-50 nm in size after onestage (at 360°C for 6 h) and two-stage (360°C for 6 h + 520°C for 1 h) annealing, respectively, was deformed at 325°C ( 0.65 T m) up to cumulative strains of e = 8.4. In the initial stages of MIF, new fine (sub)grains surrounded by low-angle and high-angle boundaries (HABs) were formed near the initial grain boundaries. With increasing strain, the volume fraction and misorientation of these crystallites increased, which led to the replacement of a coarse-grained structure with a fine-grained one with a grain size of 1.5-2.0 μm. Dynamic recrystallization occurred in accordance to a continuous mechanism and was controlled by the interaction of lattice dislocations and/or (sub)grain boundaries with dispersoids that effectively inhibited the migration of boundaries, as well as the rearrangement of lattice dislocations and their annihilation. The particle size and the density of their distribution significantly affected the parameters of the evolved structure; in an alloy with smaller particles, a structure with a smaller grain size and a larger HAB fraction developed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22591589-high-performance-transparent-resistive-switching-memory-made-from-zro-sub-alon-bilayer-structure','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22591589-high-performance-transparent-resistive-switching-memory-made-from-zro-sub-alon-bilayer-structure"><span>A high performance transparent resistive switching memory made from ZrO{sub 2}/AlON bilayer structure</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Tsai, Tsung-Ling; Chang, Hsiang-Yu; Tseng, Tseung-Yuen, E-mail: tseng@cc.nctu.edu.tw</p> <p>2016-04-11</p> <p>In this study, the switching properties of an indium tin oxide (ITO)/zirconium oxide (ZrO{sub 2})/ITO single layer device and those of a device with an aluminum oxynitride (AlON) layer were investigated. The devices with highly transparent characteristics were fabricated. Compared with the ITO/ZrO{sub 2}/ITO single layer device, the ITO/ZrO{sub 2}/AlON/ITO bilayer device exhibited a larger ON/OFF ratio, higher endurance performance, and superior retention properties by using a simple two-step forming process. These substantial improvements in the resistive switching properties were attributed to the minimized influence of oxygen migration through the ITO top electrode (TE), which can be realized by formingmore » an asymmetrical conductive filament with the weakest part at the ZrO{sub 2}/AlON interface. Therefore, in the ITO/ZrO{sub 2}/AlON/ITO bilayer device, the regions where conductive filament formation and rupture occur can be effectively moved from the TE interface to the interior of the device.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JNuM..501...59D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JNuM..501...59D"><span>Development of low-Cr ODS FeCrAl alloys for accident-tolerant fuel cladding</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Dryepondt, Sebastien; Unocic, Kinga A.; Hoelzer, David T.; Massey, Caleb P.; Pint, Bruce A.</p> <p>2018-04-01</p> <p>Low-Cr oxide dispersion strengthened (ODS) FeCrAl alloys were developed as accident tolerant fuel cladding because of their excellent oxidation resistance at very high temperature, high strength and improved radiation tolerance. Fe-12Cr-5Al wt.% gas atomized powder was ball milled with Y2O3+FeO, Y2O3+ZrO2 or Y2O3+TiO2, and the resulting powders were extruded at 950 °C. The resulting fine grain structure, particularly for the Ti and Zr containing alloys, led to very high strength but limited ductility. Comparison with variants of commercial PM2000 (Fe-20Cr-5Al) highlighted the significant impact of the powder consolidation step on the alloy grain size and, therefore, on the alloy mechanical properties at T < 500 °C. These low-Cr compositions exhibited good oxidation resistance at 1400 °C in air and steam for 4 h but could not form a protective alumina scale at 1450 °C, similar to observations for fine grained PM2000 alloys. The effect of alloy grain size, Zr and Ti additions, and impurities on the alloy mechanical and oxidation behaviors are discussed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/6760413-synthesis-nonstoichiometry-zirconium-trihalides','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/6760413-synthesis-nonstoichiometry-zirconium-trihalides"><span>Synthesis and nonstoichiometry of the zirconium trihalides</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Daake, R.L.; Corbett, J.D.</p> <p>1978-05-01</p> <p>The synthesis of ZrX/sub 3/ (X = Cl, Br, I) by reaction of the corresponding tetrahalides with ZrCl, ZrBr, or ZrI/sub 1.8/ in sealed tantalum tubing gives high-purity, single-phase products, thereby avoiding problems of the relatively low reactivity of and contamination by zirconium powder reductant used previously. Phase limits for the three trihalides established by isopiestic equilibration with the adjoining phases are 2.94 (2) less than or equal to Cl:Zr less than or equal to 3.03 (2) (440/sup 0/C), 2.87 (2) less than or equal to Br:Zr less than or equal to 3.23 (2) (435/sup 0/C), and 2.83 (5) (775/supmore » 0/C) less than or equal to I:Zr less than or equal to 3.43 (5) (475/sup 0/C). The hexagonal lattice constants for the bromide phase (Guinier techniques) decrease linearly with increasing bromide content across the entire range without the development of any additional lines. The variation of the c dimension for ZrI/sub 3/ (and HfI/sub 3/) on oxidation is in the opposite direction, and in this case extra lines from a presumed superlattice structure developed toward the upper limit. The structural implications of these results are considered. The reported structure for ..cap alpha..-ZrCl/sub 3/, an unusual BiI/sub 3/-type variant, was based on a misassigned ZrCl powder pattern and therefore appears to be in error. 25 references.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5345062','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5345062"><span>Surface Crystallization of a MgO/Y2O3/SiO2/Al2O3/ZrO2 Glass: Growth of an Oriented β-Y2Si2O7 Layer and Epitaxial ZrO2</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Wisniewski, Wolfgang; Seidel, Sabrina; Patzig, Christian; Rüssel, Christian</p> <p>2017-01-01</p> <p>The crystallization behavior of a glass with the composition 54.7 SiO2·10.9 Al2O3·15.0 MgO·3.4 ZrO2·16.0 Y2O3 is studied using X-ray diffraction (XRD), scanning electron microscopy (SEM) including electron backscatter diffraction (EBSD) and (scanning) transmission electron microscopy [(S)TEM] including energy-dispersive X-ray spectrometry (EDXS). This glass shows the sole surface crystallization of four different yttrium silicates of the composition Y2Si2O7 (YS). The almost simultaneous but independent nucleation of α-, β-, δ-, and ε-YS at the surface is followed by growth into the bulk, where ε-YS quickly dominates a first crystallized layer. An accumulation of Mg at the growth front probably triggers a secondary nucleation of β-YS, which forms a thin compact layer before fragmenting into a highly oriented layer of fine grained crystals occupying the remaining bulk. The residual glass between the YS growth structures allows the crystallization of indialite, yttrium stabilized ZrO2 (Y-ZrO2) and very probably μ-cordierite during cooling. Hence, this glass basically shows the inverted order of crystallization observed in other magnesium yttrium alumosilicate glasses containing less Y2O3. An epitaxial relationship between Y-ZrO2 and ε-YS is proven and multiple twinning relationships occur in the YS phases. PMID:28281661</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018ApPhA.124..144L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018ApPhA.124..144L"><span>Influence of Sc on microstructure and mechanical properties of Al-Si-Mg-Cu-Zr alloy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Li, Yukun; Du, Xiaodong; Zhang, Ya; Zhang, Zhen; Fu, Junwei; Zhou, Shi'ang; Wu, Yucheng</p> <p>2018-02-01</p> <p>In the present study, the effects of Mg, Cu, Sc and Zr combined additions on the microstructure and mechanical properties of hypoeutectic Al-Si cast alloy were systematically investigated. Characterization techniques such as optical microscopy (OM), scanning electron microscope (SEM), energy dispersive spectrometer (EDS), electron back-scatter diffraction (EBSD), atomic force microscopy (AFM), transmission electron microscope (TEM), Brinell hardness tester and universal testing machine were employed to analyze the microstructure and mechanical properties. The results showed that Sc served as modifier on the microstructure of Al-3Si-0.45Mg-0.45Cu-0.2Zr alloys, including modification of eutectic Si and grains. Extraordinarily, grain refinement was found to be related to the primary particles, which exhibited a close orientation to matrix. After T6 heat treatment, the grain structures were composed of nano-scaled secondary Al3(Sc, Zr) precipitates and spherical eutectic Si. Combined with T6 heat treatment, the highest hardness, yield strength, ultimate tensile strength and elongation were achieved in 0.56 wt.% Sc-modified alloy. Interestingly, the strength and ductility had a similar tendency. This paper demonstrated that combined additions of Mg, Cu, Sc and Zr could significantly improve the microstructure and performance of the hypoeutectic Al-Si cast alloy.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/94432-aluminum-alloy-alumina-based-ceramic-interactions','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/94432-aluminum-alloy-alumina-based-ceramic-interactions"><span>Aluminum alloy/alumina-based ceramic interactions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Lebeau, T.; Strom-Olsen, J.O.; Gruzleski, J.E.</p> <p>1995-07-01</p> <p>Wetting experiments were performed on eutectic ZrO{sub 2}/Al{sub 2}O{sub 3} (ZA), ZrO{sub 2}/Al{sub 2}O{sub 3}/TiO{sub 2} (ZAT), and ZrO{sub 2}/Al{sub 2}O{sub 3}/SiO{sub 2} (ZAS) ceramic substrates with different Al alloys. Four major variables were tested to study the wetting behavior of the different ceramic-metal systems. Variable include holding time, melt temperature, ally, and ceramic compositions. An experimental setup was designed to measure in situ contact angles using the sessile drop method. For any ceramic substrate, a temperature over 950 C was necessary to observe an equilibrium wetting angle of less than 90{degree} with pure Al; by alloying the aluminum, wettingmore » could be observed at lower temperatures ({theta} = 76--86{degree} at 900 C for Al-10 wt. % Si, {theta} {approximately}72{degree} at 850 C for Al-2.4 wt. % Mg) forming clean interfaces. Finally, ZAS specimens reacted with molten Al alloys over 900 C to produce Zr-Al based intermetallics at the metal-ceramic interface.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017OptMa..72..341W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017OptMa..72..341W"><span>Effect of the addition of MgF2 and NaF on the thermal, optical and magnetic properties of fluoride glasses for sensing applications</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wang, Yujie; Wang, Shuangbao; Deng, Saifu; Liu, Jianting; Zhang, Jiahui</p> <p>2017-10-01</p> <p>Optical glass was very important for the development of optical fiber sensor. In this paper, a new type fluoride glass of ZrF4-BaF2-AlF3-NaF-MgF2(ZBANM) was synthesized for sensing application which has low loss and high magneto-optical coefficient, and it was found that the glass system had at least 60% transmittance from 3.5 μm to 7 μm and smallest verdet constant of 4.628E-5/(rad A-1) at 632.8 nm. The relationship among the compositions of sample glass with its thermal property, optical absorptivity and magnetic-optical coefficients was respectively studied with Thermal Gravimetric-Differential Thermal Analyzer, Fourier Transform infrared spectroscopy and a home-made magneto optical bench. The study indicated that transmittance of fluoride glass structure had been obviously improved after moderate content of Mg2+ and Na+ was doped. Simultaneously, with the molar ratio of alkaline-earth ions Mg increased, the Verdet constant of fluoride glass was increased. And the glass structure with composition of 48%ZrF4-24%BaF2-6%AlF3-8%NaF-14%MgF2 exhibited a small molar absorptivity and the largest Verdet constant of 2.853E-4/(rad A-1).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20010064404','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20010064404"><span>The Effect of Microstructure on Mechanical Properties of Directionally Solidified Al2O3/ZrO2(Y2O3) Eutectic</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Sayir, Ali; Farmer, Serene C.</p> <p>1999-01-01</p> <p>The eutectic architecture of a continuous reinforcing phase within a higher volume fraction phase or matrix can be described as a naturally occurring in-situ composite. Here we report the results of experiments aimed at identifying the sources of high temperature creep resistance and high levels of strength in a two phase Al2O3/ZrO2(Y2O3) system. The mechanical properties of two phase Al2O3/ZrO2(Y2O3) eutectic are superior to those of either constituent alone due to strong constraining effects provided by the coherent interfaces and microstructure. The AlO3/ZrO2(Y2O3) eutectic maintains a low energy interface resulting from directional solidification and can produce strong and stable reinforcing phase/matrix bonding. The phases comprising a eutectic are thermodynamically compatible at higher homologous temperatures than man-made composites and as such offer the potential for superior high temperature properties.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20000033828','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20000033828"><span>Nonprotective Alumina Growth in Sulfur-Doped NiAl(Zr)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Smialek, James L.</p> <p>2000-01-01</p> <p>The 1200 C oxidation behavior of NiAl was examined at various levels of sulfur and zirconium dopants to test the possibility of a critical S/Zr ratio required for adhesion. Cyclic furnace testing for 200 1 -hr cycles and interrupted testing for 500 hr were used as screening tests. Pure NiAl and NiAl(Zr) with 0. 14 at.% Zr were chosen as model base compositions; they exhibited normal, slow-growing scales (3 Mg/sq cm) with excellent adhesion for the Zr-doped alloys. NiAl with about 120 ppma S exhibited a substantial weight loss (-20 Mg/sq cm) in cyclic tests and a very large weight gain (+60 Mg/sq cm) in interrupted tests. The major surface phase remained as alpha -Al2O3. Sulfur doping the NiAl(Zr) alloy caused massive weight gains of 80 - 100 Mg/sq cm, swelling, cracking, and nearly complete conversion into NiAl2O4, and alpha- Al2O3. The initial objective of determining critical S/Zr ratios for adhesion was therefore unattainable. Initiation of the catastrophic attack was examined after a 10 hr exposure, revealing a few sites of broad, raised, and cracked ridges. In cross-section, the ridges appeared as modular intrusions, with a complex, fractal, oxide-metal interface. They were primarily alumina (with occasional entrapped islands of NiAl2O4 or pure Ni metal). They possessed a unique microstructure consisting of 0.3 microns lamellae, separated by 0.1 microns open channels. This allowed for rapid growth controlled by gaseous diffusion. The microstructure is discussed in terms of SO2 evolution and a sulfur-driven de-passivation process.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1348374','DOE-PATENT-XML'); return false;" href="https://www.osti.gov/servlets/purl/1348374"><span>Low-cost Fe--Ni--Cr alloys for high temperature valve applications</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/doepatents">DOEpatents</a></p> <p>Muralidharan, Govindarajan</p> <p>2017-03-28</p> <p>An Fe--Ni--Cr alloy is composed essentially of, in terms of weight percent: 1 to 3.5 Al, up to 2 Co, 15 to 19.5 Cr, up to 2 Cu, 23 to 40 Fe, up to 0.3 Hf, up to 4 Mn, 0.15 to 2 Mo, up to 0.15 Si, up to 1.05 Ta, 2.8 to 4.3 Ti, up to 0.5 W, up to 0.06 Zr, 0.02 to 0.15 C, 0.0001 to 0.007 N, balance Ni, wherein, in terms of atomic percent: 6.5.ltoreq.Al+Ti+Zr+Hf+Ta.ltoreq.10, 0.33.ltoreq.Al/(Al+Ti+Zr+Hf+Ta).ltoreq.0.065, 4.ltoreq.(Fe+Cr)/(Al+Ti+Zr+Hf+Ta).ltoreq.10, the alloy being essentially free of Nb and V.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19990039540&hterms=amorphous+coating&qs=N%3D0%26Ntk%3DAll%26Ntx%3Dmode%2Bmatchall%26Ntt%3Damorphous%2Bcoating','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19990039540&hterms=amorphous+coating&qs=N%3D0%26Ntk%3DAll%26Ntx%3Dmode%2Bmatchall%26Ntt%3Damorphous%2Bcoating"><span>MgO-Al2O3-ZrO2 Amorphous Ternary Composite: A Dense and Stable Optical Coating</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Shaoo, Naba K.; Shapiro, Alan P.</p> <p>1998-01-01</p> <p>The process-parameter-dependent optical and structural properties of MgO-Al2O3-ZrO2 ternary mixed-composite material were investigated. Optical properties were derived from spectrophotometric measurements. The surface morphology, grain size distributions, crystallographic phases, and process- dependent material composition of films were investigated through the use of atomic force microscopy, x-ray diffraction analysis, and energy-dispersive x-ray analysis. Energy-dispersive x-ray analysis made evident the correlation between the optical constants and the process-dependent compositions in the films. It is possible to achieve environmentally stable amorphous films with high packing density under certain optimized process conditions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1348290-electronic-structural-studies-improved-thermal-stability-li-ni0-o2-zro2-coating-lithium-ion-batteries','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1348290-electronic-structural-studies-improved-thermal-stability-li-ni0-o2-zro2-coating-lithium-ion-batteries"><span>Electronic structural studies on the improved thermal stability of Li(Ni0.8Co0.15Al0.05)O2 by ZrO2 coating for lithium ion batteries</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Kim, Ji-Young; Kim, Sang Hoon; Kim, Dong Hyun; ...</p> <p>2017-03-21</p> <p>The electronic structures of bare and ZrO 2-coated Li(Ni 0.8Co 0.15Al 0.05)O 2 electrode systems were investigated using a combination of time-resolved X-ray diffraction and soft X-ray absorption spectroscopy (XAS) techniques. The ZrO 2 coating on the surface of Li(Ni 0.8Co 0.15Al 0.05)O 2 was effective in elevating the onset temperature of the dissociation of charged Li 0.33(Ni 0.8Co 0.15Al 0.05)O 2, which will enhance the safety of Li-ion cells. Lastly, soft XAS spectra of the Ni LII,III-edge in the partial electron yield mode were obtained, which showed that the enhanced electrochemical properties and thermal stability of the cathode materialsmore » by ZrO 2 coating can be attributed to the suppression of unwanted Ni oxidation state changes at the surface.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19810007696','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19810007696"><span>Microstructure of Al2O3 scales formed on NiCrAl alloys. Ph.D. Thesis - Case Western Reserve Univ.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Smialek, J. L.</p> <p>1981-01-01</p> <p>The structure of transient scales formed on pure and Y or Zr-doped Ni-15Cr-13Al alloys oxidized for 0.1 hr at 1100 C was studied by the use of transmission electron microscopy. Crystallographically oriented scales were found on all three alloys, but especially for the Zr-doped NiCrAl. The oriented scales consisted of alpha-(Al,Cr)2O3, Ni(Al,Cr)2O4 and gamma-Al2O3. They were often found in intimate contact with each other such that the close-packed planes and directions of one oxide phase were aligned with those of another. The prominent structural features of the oriented scales were approximately equal to micrometer subgrains; voids, antiphase domain boundaries and aligned precipitates were also prevalent. Randomly oriented alpha-Al2O3 was also found and was the only oxide ever observed at the immediate oxide metal interface. These approximately 0.15 micrometer grains were populated by intragranular voids which decreased in size and number towards the oxide metal interface. A sequence of oxidation was proposed in which the composition of the growing scale changed from oriented oxides rich in Ni and Cr to oriented oxides rich in Al. At the same time the structure changed from cubic spinels to hexagonal corundums with apparent precipitates of one phase in the matrix of the other. Eventually randomly oriented pure alpha-Al2O3 formed as the stable oxide with an abrupt transition: there was no gradual loss of orientation, no gradual compositional change or no gradual decrease in precipitate density.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19770009172','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19770009172"><span>Oxidation behavior of nickel-chromium-aluminum-yttrium - Magnesium oxide and nickel-chromium-aluminum-yttrium - zirconate type of cermets</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Zaplatynsky, I.</p> <p>1976-01-01</p> <p>The 1100 and 1200 C cyclic oxidation resistance of dense Ni-Cr-Al-Y - MgO, Ni-Cr-Al-Y - CaZrO3, Ni-Cr-Al-Y - SrZrO3, Ni-Cr-Al-Y - MgZro3 cermets and a 70 percent dense Ni-Cr-Al-Y developmental material was determined. The cermets contained 60 and 50 volume percent of Ni-Cr-Al-Y which formed a matrix with the oxide particles imbedded in it. The cermets containing MgO were superior to cermets based on zirconates and to the porous Ni-Cr-Al-Y material.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2011JAP...110f4115Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2011JAP...110f4115Z"><span>Comparison of structural and electric properties of PbZr0.2Ti0.8O3 and CoFe2O4/PbZr0.2Ti0.8O3 films on (100)LaAlO3</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zhang, X. D.; Dho, Joonghoe; Park, Sungmin; Kwon, Hyosang; Hwang, Jihwan; Park, Gwangseo; Kwon, Daeyoung; Kim, Bongju; Jin, Yeryeong; Kim, Bog. G.; Karpinsky, D.; Kholkin, A. L.</p> <p>2011-09-01</p> <p>In this work, we investigated structural, electrical, and magnetic properties of ferroelectric PbZr0.2Ti0.8O3 (PZT) and ferrimagnetic/ferroelectric [CoFe2O4(CFO)/PZT] bilayers grown on (100)LaAlO3 (LAO) substrates supplied with bottom 50 nm thick LaNiO3 electrodes. Interestingly, structural and electrical properties of the PZT layer exhibited remarkable changes after the top-layer CFO deposition. X-ray diffraction data suggested that both the c- and a-domains exist in the PZT layer and the tetragonality of the PZT decreases upon the top-layer deposition. A variation in the electrical properties of the PZT layer upon the CFO deposition was investigated by polarization versus voltage (P-V), capacitance versus voltage (C-V), and capacitance versus frequency (C-f) measurements. The CFO deposition induced a slight decrease of the remnant polarization and more symmetric behavior of P-V loops as well as led to the improvement of fatigue behavior. The tentative origin of enhanced fatigue endurance is discussed based on the measurement results. These results were corroborated by local piezoelectric measurements. Ferrimagnetic property of the CFO/PZT bilayer was confirmed by magnetic measurement at room temperature.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016SuScT..29e5004I','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016SuScT..29e5004I"><span>Superconductivity in layered ZrP2-x Se x with PbFCl-type structure</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ishida, Shigeyuki; Fujihisa, Hiroshi; Hase, Izumi; Yanagi, Yousuke; Kawashima, Kenji; Oka, Kunihiko; Gotoh, Yoshito; Yoshida, Yoshiyuki; Iyo, Akira; Eisaki, Hiroshi; Kito, Hijiri</p> <p>2016-05-01</p> <p>We performed a systematic study of the crystal structure, physical properties, and electronic structure of PbFCl-type ZrP2-x Se x (0.3 ≤ x ≤ 0.9). We successfully synthesized single-phase polycrystalline samples for the Se substitution range of 0.4 ≤ x ≤ 0.8. The crystal structure of the compound is characterized by the alternate stacking of a two-dimensional P square net and a Zr-(P1-x Se x ) network. ZrP2-x Se x exhibits a dome-like superconductivity phase diagram and has a maximum superconducting transition temperature (T c) of 6.3 K for x ≈ 0.6. Resistivity and Hall measurements indicated that electron-phonon scattering plays a dominant role and that electron-type carriers dominate charge transport. Specific heat measurements confirmed that ZrP2-x Se x exhibits bulk superconductivity. Further, the value of the specific heat jump at T c (ΔC/γT c ≈ 1.35) is in keeping with the BCS weak-coupling model. These facts suggest a rather conventional pairing mechanism in ZrP2-x Se x . The x dependence of T c can be explained on the basis of the density of states (DOS) for x ≤ 0.7, whereas the decrease in T c with an increase in the DOS for x = 0.8 needs further investigation. One possible reason for the suppression of superconductivity is that the PbFCl-type structure becomes unstable for x ≥ 0.8. The results of electronic structure calculations agree reasonably well with those of the experimental observations, suggesting that the Zrd band plays a primary role in determining the physical properties. Further, the calculations predict a significant change in the Fermi-surface topology for x ≥ 0.8 this is a probable reason for the decrease in T c as well as the instability of the PbFCl-type structure.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_5");'>5</a></li> <li><a href="#" onclick='return showDiv("page_6");'>6</a></li> <li class="active"><span>7</span></li> <li><a href="#" onclick='return showDiv("page_8");'>8</a></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_7 --> <div id="page_8" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_6");'>6</a></li> <li><a href="#" onclick='return showDiv("page_7");'>7</a></li> <li class="active"><span>8</span></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="141"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/12930665','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/12930665"><span>[Study of relationship between powder-size gradation and mechanical properties of Zirconia toughened glass infiltrated nanometer-ceramic composite powder].</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Chai, Feng; Xu, Ling; Liao, Yun-mao; Chao, Yong-lie</p> <p>2003-07-01</p> <p>The fabrication of all-ceramic dental restorations is challenged by ceramics' relatively low flexural strength and intrinsic poor resistance to fracture. This paper aimed at investigating the relationships between powder-size gradation and mechanical properties of Zirconia toughened glass infiltrated nanometer-ceramic composite (Al(2)O(3)-nZrO(2)). Al(2)O(3)-nZrO(2) ceramics powder (W) was processed by combination methods of chemical co-precipitation and ball milling with addition of different powder-sized ZrO(2). Field-emission scanning electron microscopy was used to determine the particle size distribution and characterize the particle morphology of powders. The matrix compacts were made by slip-casting technique and sintered to 1,450 degrees C and flexural strength and the fracture toughness of them were measured. 1. The particle distribution of Al(2)O(3)-nZrO(2) ceramics powder ranges from 0.02 - 3.5 micro m and among them the superfine particles almost accounted for 20%. 2. The ceramic matrix samples with addition of nZrO(2) (W) showed much higher flexural strength (115.434 +/- 5.319) MPa and fracture toughness (2.04 +/- 0.10) MPa m(1/2) than those of pure Al(2)O(3) ceramics (62.763 +/- 7.220 MPa; 1.16 +/- 0.02 MPa m(1/2)). The particle size of additive ZrO(2) may impose influences on mechanical properties of Al(2)O(3)-nZrO(2) ceramics matrix. Good homogeneity and reasonable powder-size gradation of ceramic powder can improve the mechanical properties of material.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1990JNuM..174....1P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1990JNuM..174....1P"><span>Experimental determination of the phase relationships in Zr/2.5 8.0 at% Nb/0 6.7 at% Al alloys with 750 at ppm 0 and 250 at ppm N between 730 900° C</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Peruzzi, A.; Bolcich, J.</p> <p>1990-11-01</p> <p>Zr alloys with 2.5 to 8.0 at% Nb and 0 to 6.7 at% Al were subjected to dynamic and static treatments between 730-900° C and studied by qualitative and quantitative optical metallography, electrical resistance, X-ray diffractometry and electron microanalysis. The experimental data were analyzed by taking into account the effects of oxygen and nitrogen impurities. The main results for Zn-Nb-Al alloys with 750 at ppm O and 250 at ppm N are the following: (i) Equilibrium relationships are established between the α (hcp), β (bcc) and Zr 3Al (Cu 3Au) phases along isothermal sections at 730, 771 and 800°C. (ii) The β/ α + β boundaries are determined along iso-aluminum vertical sections at 6.7, 3.3 and 0 at% Al. (iii) The addition of Al to Zr-Nb alloys increases the solubility of Nb in the α phase, its maximum value at 730° C being about 0.7-0.8 at% for 4 at% Al. (iv) Solubility values for Al in the α-phase of Zr-Al were estimated by extrapolation from ternary alloys. These estimates help to solve an existing discrepancy in the Zr-Al system.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24411395','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24411395"><span>In vitro bio-functional performances of the novel superelastic beta-type Ti-23Nb-0.7Ta-2Zr-0.5N alloy.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Ion, Raluca; Gordin, Doina-Margareta; Mitran, Valentina; Osiceanu, Petre; Dinescu, Sorina; Gloriant, Thierry; Cimpean, Anisoara</p> <p>2014-02-01</p> <p>The materials used for internal fracture fixations and joint replacements are mainly made of metals which still face problems ranging from higher rigidity than that of natural bone to leaching cytotoxic metallic ions. Beta (β)-type titanium alloys with low elastic modulus made from non-toxic and non-allergenic elements are desirable to reduce stress shielding effect and enhance bone remodeling. In this work, a new β-type Ti-23Nb-0.7Ta-2Zr-0.5N alloy with a Young's modulus of approximately 50 GPa was designed and characterized. The behavior of MC3T3-E1 pre-osteoblasts on the new alloy, including adhesion, proliferation and differentiation, was evaluated by examining the cytoskeleton, focal adhesion formation, metabolic activity and extracellular matrix mineralization. Results indicated that the pre-osteoblast cells exhibited a similar degree of attachment and growth on Ti-23Nb-0.7Ta-2Zr-0.5N and Ti-6Al-4V. However, the novel alloy proved to be significantly more efficient in sustaining mineralized matrix deposition upon osteogenic induction of the cells than Ti-6Al-4V control. Further, the analysis of RAW 264.7 macrophages cytokine gene and protein expression indicated no significant inflammatory response. Collectively, these findings suggest that the Ti-23Nb-0.7Ta-2Zr-0.5N alloy, which has an increased mechanical biocompatibility with bone, allows a better osteogenic differentiation of osteoblast precursor cells than Ti-6Al-4V and holds great potential for future clinical prosthetic applications. Copyright © 2013 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012JPCM...24x5102T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012JPCM...24x5102T"><span>Predicting the solid state phase diagram for glass-forming alloys of copper and zirconium</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tang, C.; Harrowell, Peter</p> <p>2012-06-01</p> <p>The free energies of six crystal structures associated with Cu-Zr alloys—Cu (face centred cubic), Cu2Zr, Cu10Zr7, CuZr, CuZr2 and Zr (hexagonal close packed)—are calculated using the embedded atom potential of Mendelev et al (2009 Phil. Mag. 89 967). We find that the observed low temperature stability of the Cu10Zr7 and CuZr2 phases is not reproduced. Instead, the model predicts that the CuZr phase remains stable down to T = 0 K. This discrepancy is largely removed when the interaction potentials are cut off at a short distance, such as that used by Duan et al (2005 Phys. Rev. B 71 224208). We present evidence, however, that the cut-off distance necessary to achieve the change in phase stability results in pathological artefacts in the energetics of some crystal phases.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19730028466&hterms=residual+salt&qs=N%3D0%26Ntk%3DAll%26Ntx%3Dmode%2Bmatchall%26Ntt%3Dresidual%2Bsalt','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19730028466&hterms=residual+salt&qs=N%3D0%26Ntk%3DAll%26Ntx%3Dmode%2Bmatchall%26Ntt%3Dresidual%2Bsalt"><span>Effects of hot-salt stress corrosion on titanium alloys.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Gray, H. R.</p> <p>1972-01-01</p> <p>Susceptibility of titanium alloys to hot-salt stress-corrosion cracking increased as follows: Ti-2Al-11Sn-5Zr-1Mo-0.2Si (679), Ti-6Al-2Sn-4Zr-2Mo (6242), Ti-6Al-4V (64), Ti-6Al-4V-3Co (643), Ti-8Al-1Mo-1V (811), and Ti-13V-11Cr-3Al (13-11-3). The Ti-5Al-6Sn-2Zr-1Mo-0.25Si (5621S) alloy was both the least and most susceptible, depending on heat treatment. Such rankings can be drastically altered by heat-to-heat variations and processing conditions. Residual compressive stresses reduce susceptibility to stress-corrosion. Detection of substantial concentrations of hydrogen in all corroded alloys confirmed the generality of a previously proposed hydrogen embrittlement mechanism.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1992JNuM..191..243R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1992JNuM..191..243R"><span>Irradiation behavior of LiAlO 2 and Li 2ZrO 3 ceramics in the ALICE 3 experiment</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Rasneur, B.; Thevenot, G.; Bouilloux, Y.</p> <p>1992-09-01</p> <p>Within the framework of the investigation of ceramic breeders for the DEMO relevant solid blankets developed in Europe, the ALICE 3 experiment was foreseen to study the irradiation behavior of the ceramics. The irradiation was performed in the core of the OSIRIS reactor for 46 FPD (full power days) at 400°C and 600°C. The three ceramics in the configuration contemplated in the BIT and BOT concepts were tested, i.e. LiAlO 2 and Li 2ZrO 3 pellets, Li 4SiO 4 and Li 2ZrO 3 pebbles, respectively. In this paper are reported the results of the post-irradiation examination carried out at CEA on CEA Li 2ZrO 3 and LiAlO 2 specimens: dimensions, X-ray diffraction, ultimate bending strength, diametral compressive strength and residual tritium.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1394435-microstructural-evolution-single-ni2tial-hierarchical-nial-ni2-tial-precipitates-fe-ni-al-cr-ti-ferritic-alloys-during-thermal-treatment-elevated-temperature-applications','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1394435-microstructural-evolution-single-ni2tial-hierarchical-nial-ni2-tial-precipitates-fe-ni-al-cr-ti-ferritic-alloys-during-thermal-treatment-elevated-temperature-applications"><span>Microstructural evolution of single Ni 2TiAl or hierarchical NiAl/Ni 2 TiAl precipitates in Fe-Ni-Al-Cr-Ti ferritic alloys during thermal treatment for elevated-temperature applications</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Song, Gian; Sun, Zhiqian; Poplawsky, Jonathan D.; ...</p> <p>2017-01-07</p> <p>Precipitate features, such as the size, morphology, and distribution, are important parameters determining the mechanical properties of semi- or fully-coherent precipitatehardened alloys at elevated temperatures. In this study, the microstructural formation and evolution of recently-developed Fe-Ni-Al-Cr-Ti alloys with superior creep resistance have been systematically investigated using transmission-electron microscopy (TEM), scanning-electron microscopy (SEM), and atom-probe tomography (APT). These alloys were designed by adding 2 or 4 weight percent (wt. %) Ti into a NiAl-hardened ferritic alloy with a nominal composition of Fe-6.5Al-10Cr-10Ni-3.4Mo-0.25Zr-0.005B in wt. %. These alloys were, then, subjected to a homogenization treatment at 1,473 K for 0.5 hour, followedmore » by aging treatments at 973 K for 1 ~ 500 hours. In the homogenization-treated case, both alloys contain a primary L21-type Ni 2TiAl precipitate, but with the distinct size and morphology of the precipitates and precipitate/matrix interface structures. In the subsequent aging treatments, the 2 wt. % Ti alloy establishes a hierarchical-precipitate structure consisting of a fine network of a B2-type NiAl phase within the parent L2 1-type Ni2TiAl precipitate, while the 4 wt. % Ti alloy retains the single Ni 2TiAl precipitate. It was found that the hierarchical structure is more effective in remaining the coherent interface during the growth/coarsening of the precipitate. The formation of the different types of the precipitates, and their effects on the microstructural evolution are discussed, and the driving forces for these features are identified from the competition between the interface energy and elastic interactions due to the lattice misfit and misfit dislocations.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1394435','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1394435"><span>Microstructural evolution of single Ni 2TiAl or hierarchical NiAl/Ni 2 TiAl precipitates in Fe-Ni-Al-Cr-Ti ferritic alloys during thermal treatment for elevated-temperature applications</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Song, Gian; Sun, Zhiqian; Poplawsky, Jonathan D.</p> <p></p> <p>Precipitate features, such as the size, morphology, and distribution, are important parameters determining the mechanical properties of semi- or fully-coherent precipitatehardened alloys at elevated temperatures. In this study, the microstructural formation and evolution of recently-developed Fe-Ni-Al-Cr-Ti alloys with superior creep resistance have been systematically investigated using transmission-electron microscopy (TEM), scanning-electron microscopy (SEM), and atom-probe tomography (APT). These alloys were designed by adding 2 or 4 weight percent (wt. %) Ti into a NiAl-hardened ferritic alloy with a nominal composition of Fe-6.5Al-10Cr-10Ni-3.4Mo-0.25Zr-0.005B in wt. %. These alloys were, then, subjected to a homogenization treatment at 1,473 K for 0.5 hour, followedmore » by aging treatments at 973 K for 1 ~ 500 hours. In the homogenization-treated case, both alloys contain a primary L21-type Ni 2TiAl precipitate, but with the distinct size and morphology of the precipitates and precipitate/matrix interface structures. In the subsequent aging treatments, the 2 wt. % Ti alloy establishes a hierarchical-precipitate structure consisting of a fine network of a B2-type NiAl phase within the parent L2 1-type Ni2TiAl precipitate, while the 4 wt. % Ti alloy retains the single Ni 2TiAl precipitate. It was found that the hierarchical structure is more effective in remaining the coherent interface during the growth/coarsening of the precipitate. The formation of the different types of the precipitates, and their effects on the microstructural evolution are discussed, and the driving forces for these features are identified from the competition between the interface energy and elastic interactions due to the lattice misfit and misfit dislocations.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22288689-precipitation-cold-rolled-alsczr-almnsczr-alloys-prepared-powder-metallurgy','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22288689-precipitation-cold-rolled-alsczr-almnsczr-alloys-prepared-powder-metallurgy"><span>Precipitation in cold-rolled Al–Sc–Zr and Al–Mn–Sc–Zr alloys prepared by powder metallurgy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Vlach, M., E-mail: martin.vlach@mff.cuni.cz; Stulikova, I.; Smola, B.</p> <p>2013-12-15</p> <p>The effects of cold-rolling on thermal, mechanical and electrical properties, microstructure and recrystallization behaviour of the AlScZr and AlMnScZr alloys prepared by powder metallurgy were studied. The powder was produced by atomising in argon with 1% oxygen and then consolidated by hot extrusion at 350 °C. The electrical resistometry and microhardness together with differential scanning calorimetry measurements were compared with microstructure development observed by transmission and scanning electron microscopy, X-ray diffraction and electron backscatter diffraction. Fine (sub)grain structure developed and fine coherent Al{sub 3}Sc and/or Al{sub 3}(Sc,Zr) particles precipitated during extrusion at 350 °C in the alloys studied. Additional precipitationmore » of the Al{sub 3}Sc and/or Al{sub 3}(Sc,Zr) particles and/or their coarsening was slightly facilitated by the previous cold rolling. The presence of Sc,Zr-containing particles has a significant antirecrystallization effect that prevents recrystallization at temperatures minimally up to 420 °C. The precipitation of the Al{sub 6}Mn- and/or Al{sub 6}(Mn,Fe) particles of a size ∼ 1.0 μm at subgrain boundaries has also an essential antirecrystallization effect and totally suppresses recrystallization during 32 h long annealing at 550 °C. The texture development of the alloys seems to be affected by high solid solution strengthening by Mn. The precipitation of the Mn-containing alloy is highly enhanced by a cold rolling. The apparent activation energy of the Al{sub 3}Sc particles formation and/or coarsening and that of the Al{sub 6}Mn and/or Al{sub 6}(Mn,Fe) particle precipitation in the powder and in the compacted alloys were determined. The cold deformation has no effect on the apparent activation energy values of the Al{sub 3}Sc-phase and the Al{sub 6}Mn-phase precipitation. - Highlights: • The Mn, Sc and Zr additions to Al totally suppresses recrystallization at 550 °C. • The Sc,Zr-containing particle precipitation is slightly facilitated by cold rolling. • The Mn-containing particle precipitation is highly enhanced by cold rolling. • Cold rolling has no effect on activation energy of the Al{sub 3}Sc and Al{sub 6}Mn precipitation. • The texture development is affected by high solid solution strengthening by Mn.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010NIMPB.268.2177K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010NIMPB.268.2177K"><span>Structural investigations in helium implanted cubic zirconia using grazing incidence XRD and EXAFS spectroscopy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kuri, G.; Degueldre, C.; Bertsch, J.; Döbeli, M.</p> <p>2010-06-01</p> <p>The crystal structure and local atom arrangements surrounding Zr atoms were determined for a helium implanted cubic stabilized zirconia (CSZ) using X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) spectroscopy, respectively, measured at glancing angles. The implanted specimen was prepared at a helium fluence of 2 × 10 16 cm -2 using He + beams at two energies (2.54 and 2.74 MeV) passing through a 8.0 μm Al absorber foil. XRD results identified the formation of a new rhombohedral phase in the helium embedded layer, attributed to internal stress as a result of expansion of the CSZ-lattice. Zr K-edge EXAFS data suggested loss of crystallinity in the implanted lattice and disorder of the Zr atoms environment. EXAFS Fourier transforms analysis showed that the average first-shell radius of the Zr sbnd O pair in the implanted sample was slightly larger than that of the CSZ standard. Common general disorder features were explained by rhombohedral type short-range ordered clusters. The average structural parameters estimated from the EXAFS data of unimplanted and implanted CSZ are compared and discussed. Potential of EXAFS as a local probe of atomic-scale structural modifications induced by helium implantation in CSZ is demonstrated.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19860022226','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19860022226"><span>Study on effects of powder and flake chemistry and morphology on the properties of Al-Cu-Mg-X-X-X powder metallurgy advanced aluminum alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Meschter, P. J.; Lederich, R. J.; Oneal, J. E.</p> <p>1986-01-01</p> <p>A study was conducted: (1) to develop rapid solidification processed (RSP) dispersoid-containing Al-3Cu-2Li-1Mg-0.2Zr alloys as substitutes for titanium alloys and commercial 2XXX aluminum alloys for service to at least 150 C; and (2) to develop RSP Al-4Li-Cu-Mg-Zr alloys as substitutes for high-strength commercial 7XXX alloys in ambient-temperature applications. RSP Al-3Cu-2Li-1Mg-0.2Zr alloys have density-normalized yield stresses at 150 C up to 52% larger than that of 2124-T851 and up to 30% larger than that of Ti-6Al-4V. Strength at 150 C in these alloys is provided by thermally stable delta' (Al3Li), T1 (Al2LiCu), and S' (Al2CuMg) precipitates. Density-normalized yield stresses of RSP Al-3Cu-2Li-1Mg-0.2Zr alloys are up to 100% larger than that of 2124-T851 and equivalent to that of Al-8Fe-4Ce at 260 C. Strength in the RSP alloys at 260 C is provided by incoherent dispersoids and subboundary constituent particles such as T1 and S. The RSP alloys are attractive substitutes in less than or = 100-h exposures for 2xxx and Al-4Fe-Ce alloys up to 260 C and for titanium alloys up to 150 C. RSP Al-4Li-Cu-Mg-Zr alloys have ambient-temperature yield and ultimate tensile stresses similar to that of 7050-T7651, and are 14% less dense. RSP Al-4Li-0.5Cu-1.5Mg-0.2Zr has a 20% higher specific yield stress, 40% higher specific elastic modulus, and superior corrosion resistance compared to the properties of 7050-T7651. Strength in the Al-4Li-Cu-Mg-Zr alloy class is primarily provided by the substructure and delta' precipitates and is independent of Cu:Mg ratio. Improvements in fracture toughness and transverse-orientation properties in both alloy classes depend on improved melt practices to eliminate oxide inclusions which are incorporated into the consolidated forms.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22391963-grain-size-engineering-ferroelectric-hf-sub-zr-sub-sub-films-insertion-al-sub-sub-interlayer','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22391963-grain-size-engineering-ferroelectric-hf-sub-zr-sub-sub-films-insertion-al-sub-sub-interlayer"><span>Grain size engineering for ferroelectric Hf{sub 0.5}Zr{sub 0.5}O{sub 2} films by an insertion of Al{sub 2}O{sub 3} interlayer</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Kim, Han Joon; Park, Min Hyuk; Kim, Yu Jin</p> <p>2014-11-10</p> <p>The degradation of ferroelectric (FE) properties of atomic layer deposited Hf{sub 0.5}Zr{sub 0.5}O{sub 2} films with increasing thickness was mitigated by inserting 1 nm-thick Al{sub 2}O{sub 3} interlayer at middle position of the thickness of the FE film. The large P{sub r} of 10 μC/cm{sup 2}, which is 11 times larger than that of single layer Hf{sub 0.5}Zr{sub 0.5}O{sub 2} film with equivalent thickness, was achieved from the films as thick as 40 nm. The Al{sub 2}O{sub 3} interlayer could interrupt the continual growth of Hf{sub 0.5}Zr{sub 0.5}O{sub 2} films, and the resulting decrease of grain size prevented the formation of non-ferroelectricmore » monoclinic phase. The Al{sub 2}O{sub 3} interlayer also largely decreased the leakage current of the Hf{sub 0.5}Zr{sub 0.5}O{sub 2} films.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014MS%26E...63a2167Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014MS%26E...63a2167Y"><span>Nanocrystallization of Zr-Cu-Ni-Al-Au glassy alloys during severe plastic deformation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yamada, Masahiro; Kamisato, Ryo; Yamasaki, Tohru; Adachi, Hiroki; Tsuchiya, Koichi; Yokoyama, Yoshihiko</p> <p>2014-08-01</p> <p>A study has been carried out into the formation of nanocrystalline grains during high-pressure torsion (HPT) deformation of Zr65Cu17Ni5Al10Au3 bulk alloys prepared using tilt casting. As a preliminary to this, X-ray diffraction (XRD) and differential scanning calorimetry (DSC) analyses were carried out on as-cast Zr65+xCu17-xNi5Al10Au3 (x=0~5 at.%) and Zr65Cu20Ni5Al10Au3 alloys, in order to determine the effect on the microstructure of the excess Zr content x and the presence of Au. From the XRD patterns, it was determined that all of the alloys had a metallic glassy nature. For Zr65Cu17Ni5Al10Au3, the DSC results indicated the presence of a wide supercooled liquid region between the glass transition temperature (Tg) of 644 K and the crystallization temperature of 763 K, where the stable body-centered tetragonal Zr2Cu phase was formed. In contrast, for the Zr65+xCu17-xNi5Al10Au3 alloys, precipitation of an icosahedral quasicrystalline phase (I-phase) was observed in the supercooled liquid region at about 715 K. HPT deformation of the Zr65Cu17Ni5Al10Au3 alloys was carried out under a high pressure of 5 GPa. Both as-cast specimens and those annealed at Tg-50 K for 90 min were used. Following a single HPT rotation (N=1), transmission electron microscopy identified the presence of face- centered cubic Zr2Ni precipitates in the as-cast alloy, with a size of about 50 nm. For the annealed alloy, a high density of I-phase precipitates with sizes of less than 10 nm was observed following HPT with N=10, indicating that the combination of severe plastic deformation and annealing is effective at producing extremely small grains.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27813287','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27813287"><span>Efficient Decarbonylation of Furfural to Furan Catalyzed by Zirconia-Supported Palladium Clusters with Low Atomicity.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Ishida, Tamao; Kume, Kurumi; Kinjo, Kota; Honma, Tetsuo; Nakada, Kengo; Ohashi, Hironori; Yokoyama, Takushi; Hamasaki, Akiyuki; Murayama, Haruno; Izawa, Yusuke; Utsunomiya, Masaru; Tokunaga, Makoto</p> <p>2016-12-20</p> <p>Decarbonylation of furfural to furan was efficiently catalyzed by ZrO 2 -supported Pd clusters in the liquid phase under a N 2 atmosphere without additives. Although Pd/C and Pd/Al 2 O 3 have frequently been used for decarbonylation, Pd/ZrO 2 exhibited superior catalytic performance compared with these conventional catalysts. Transmission electron microscopy and X-ray absorption fine structure measurements revealed that the size of the Pd particles decreased with an increase in the specific surface area of ZrO 2 . ZrO 2 with a high surface area immobilized Pd as clusters consisting of several (three to five) Pd atoms, whereas Pd aggregated to form nanoparticles on other supports such as carbon and Al 2 O 3 despite their high surface areas. The catalytic activity of Pd/ZrO 2 was enhanced with a decrease in particle size, and the smallest Pd/ZrO 2 was the most active catalyst for decarbonylation. When CeO 2 was used as the support, a decrease in Pd particle size with an increase in surface area was also observed. Single Pd atoms were deposited on CeO 2 with a high surface area, with a strong interaction through the formation of a Pd-O-Ce bond, which led to a lower catalytic activity than that of Pd/ZrO 2 . This result suggests that zero-valent small Pd clusters consisting of more than one Pd atom are the active species for the decarbonylation reaction. Recycling tests proved that Pd/ZrO 2 maintained its catalytic activity until its sixth use. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24604069','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24604069"><span>Correlation and the mechanism of lithium ion diffusion with the crystal structure of Li7La3Zr2O12 revealed by an internal friction technique.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Wang, X P; Gao, Y X; Xia, Y P; Zhuang, Z; Zhang, T; Fang, Q F</p> <p>2014-04-21</p> <p>The correlation and transport mechanism of lithium ions with the crystal structure of a fast lithium ion conductor Li7La3Zr2O12 are mainly investigated by internal friction (IF) and AC impedance spectroscopy techniques. Compared with the poor conductivity of tetragonal Li7La3Zr2O12, the Al stabilized cubic phase exhibits a good ionic conductivity that can be up to 1.9 × 10(-4) S cm(-1) at room temperature, which can be ascribed to the disordered distribution of lithium ions in the cubic phase. A well-pronounced relaxation IF peak (labeled as peak PC) is observed in the cubic phase while a very weak IF peak (labeled as PT) is observed in the tetragonal phase, further evidencing the difference in lithium ion migration in the two phases. Peak PC can be decomposed into two sub-peaks with the activation energy and the pre-exponential factor of relaxation time being E1 = 0.41 eV and τ01 = 1.2 × 10(-14) s for the lower temperature peak PC1 and E2 = 0.35 eV and τ02 = 1.9 × 10(-15) s for the higher temperature PC2 peak, respectively. Based on the crystalline structure of a cubic garnet-type Li7La3Zr2O12 compound, an atomistic mechanism of lithium ion diffusion via vacancies is suggested, i.e. 48g(96h) ↔ 48g(96h) for peak PC1 and 48g(96h) ↔ 24d for peak PC2, respectively. The weak PT peak in the tetragonal phase is preliminarily interpreted as due to the short jump process among neighboring octahedral sites and vacant tetrahedral sites.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015JTST...24.1415F','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015JTST...24.1415F"><span>Development of Plasma-Sprayed Molybdenum Carbide-Based Anode Layers with Various Metal Oxides for SOFC</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Faisal, N. H.; Ahmed, R.; Katikaneni, S. P.; Souentie, S.; Goosen, M. F. A.</p> <p>2015-12-01</p> <p>Air plasma-sprayed (APS) coatings provide an ability to deposit a range of novel fuel cell materials at competitive costs. This work develops three separate types of composite anodes (Mo-Mo2C/Al2O3, Mo-Mo2C/ZrO2, Mo-Mo2C/TiO2) using a combination of APS process parameters on Hastelloy®X for application in intermediate temperature proton-conducting solid oxide fuel cells. Commercially available carbide of molybdenum powder catalyst (Mo-Mo2C) and three metal oxides (Al2O3, ZrO2, TiO2) was used to prepare three separate composite feedstock powders to fabricate three different anodes. Each of the modified composition anode feedstock powders included a stoichiometric weight ratio of 0.8:0.2. The coatings were characterized by scanning electron microscopy, energy dispersive spectroscopy, x-ray diffraction, nanoindentation, and conductivity. We report herein that three optimized anode layers of thicknesses between 200 and 300 µm and porosity as high as 20% for Mo-Mo2C/Al2O3 (250-µm thick) and Mo-Mo2C/TiO2 (300 µm thick) and 17% for Mo-Mo2C/ZrO2 (220-µm thick), controllable by a selection of the APS process parameters with no addition of sacrificial pore-forming material. The nanohardness results indicate the upper layers of the coatings have higher values than the subsurface layers in coatings with some effect of the deposition on the substrate. Mo-Mo2C/ZrO2 shows high electrical conductivity.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018ApSS..440..932M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018ApSS..440..932M"><span>Microstructure and thermal stability of Cu/Zr0.3Al0.7N/Zr0.2Al0.8N/Al34O60N6 cermet-based solar selective absorbing coatings</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Meng, Jian-ping; Guo, Rui-rui; Li, Hu; Zhao, Lu-ming; Liu, Xiao-peng; Li, Zhou</p> <p>2018-05-01</p> <p>Solar selective absorbing coatings play a valuable role in photo-thermal conversion for high efficiency concentrating solar power systems (CSP). In this paper, a novel Cu/Zr0.3Al0.7N/Zr0.2Al0.8N/Al34O60N6 cermet-based solar selective absorbing coating was successfully deposited by ion beam assisted deposition. The optical properties, microstructure and element distribution in depth were investigated by spectroscopic ellipsometry, UV-vis-NIR spectrophotometer, transmission electron microscope (TEM) and Auger electron spectroscopy (AES), respectively. A high absorptance of 0.953 and a low thermal emittance of 0.079 at 400 °C are obtained by the integral computation according to the whole reflectance from 300 nm to 28,800 nm. After annealing treatment at 400 °C (in vacuum) for 192 h, the deposited coating exhibits the high thermal stability. Whereas, the photothermal conversion efficiency decreases from 12.10 to 6.86 due to the emittance increase after annealing at 600 °C for 192 h. Meanwhile, the nitrogen atom in the Zr0.3Al0.7N sub-layer diffuses toward the adjacent sub-layer due to the spinodal decomposition of metastable c-ZrAlN and the phase transition from c-AlN to h-AlN, which leads to the composition of the Zr0.3Al0.7N sub-layer deviates the initial design. This phenomenon has a guide effect for the thermal-stability improvement of cermet coatings. Additionally, a serious diffusion between copper and silicon substrate also contributes to the emittance increase.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27110064','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27110064"><span>Structural and Electrochemical Consequences of Al and Ga Cosubstitution in Li7La3Zr2O12 Solid Electrolytes.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Rettenwander, Daniel; Redhammer, Günther; Preishuber-Pflügl, Florian; Cheng, Lei; Miara, Lincoln; Wagner, Reinhard; Welzl, Andreas; Suard, Emmanuelle; Doeff, Marca M; Wilkening, Martin; Fleig, Jürgen; Amthauer, Georg</p> <p>2016-04-12</p> <p>Several "Beyond Li-Ion Battery" concepts such as all solid-state batteries and hybrid liquid/solid systems envision the use of a solid electrolyte to protect Li-metal anodes. These configurations are very attractive due to the possibility of exceptionally high energy densities and high (dis)charge rates, but they are far from being realized practically due to a number of issues including high interfacial resistance and difficulties associated with fabrication. One of the most promising solid electrolyte systems for these applications is Al or Ga stabilized Li 7 La 3 Zr 2 O 12 (LLZO) based on high ionic conductivities and apparent stability against reduction by Li metal. Nevertheless, the fabrication of dense LLZO membranes with high ionic conductivity and low interfacial resistances remains challenging; it definitely requires a better understanding of the structural and electrochemical properties. In this study, the phase transition from garnet ( Ia 3̅ d , No. 230) to "non-garnet" ( I 4̅3 d , No. 220) space group as a function of composition and the different sintering behavior of Ga and Al stabilized LLZO are identified as important factors in determining the electrochemical properties. The phase transition was located at an Al:Ga substitution ratio of 0.05:0.15 and is accompanied by a significant lowering of the activation energy for Li-ion transport to 0.26 eV. The phase transition combined with microstructural changes concomitant with an increase of the Ga/Al ratio continuously improves the Li-ion conductivity from 2.6 × 10 -4 S cm -1 to 1.2 × 10 -3 S cm -1 , which is close to the calculated maximum for garnet-type materials. The increase in Ga content is also associated with better densification and smaller grains and is accompanied by a change in the area specific resistance (ASR) from 78 to 24 Ω cm 2 , the lowest reported value for LLZO so far. These results illustrate that understanding the structure-properties relationships in this class of materials allows practical obstacles to its utilization to be readily overcome.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2008JAP...104i3519W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2008JAP...104i3519W"><span>Atomic structure and glass forming ability of Cu46Zr46Al8 bulk metallic glass</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wang, X. D.; Jiang, Q. K.; Cao, Q. P.; Bednarcik, J.; Franz, H.; Jiang, J. Z.</p> <p>2008-11-01</p> <p>By using a combination of state-of-the-art experimental and computational methods, the high glass forming ability (GFA) of Cu46Zr46Al8 alloy is studied from the view of its atomic packing. Three-dimensional atomic configuration is well established. It is found that Al atoms almost homogeneously distribute around Cu and Zr atoms without segregation, causing the local environment around Cu and Zr atoms in Cu46Zr46Al8 bulk metallic glass different from that of the major competing phase of Cu10Zr7. Furthermore, the addition of Al not only increases the amount of icosahedronlike clusters but also makes them more homogeneous distribution, which can enhance the GFA by increasing the structural incompatibility with the competing crystalline phases.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2008JSSCh.181.1859S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2008JSSCh.181.1859S"><span>Oxidation/reduction studies on Zr yU 1-yO 2+x and delineation of a new orthorhombic phase in U-Zr-O system</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Sali, S. K.; Kulkarni, N. K.; Krishnan, K.; Achary, S. N.; Tyagi, A. K.</p> <p>2008-08-01</p> <p>In this communication, we report the oxidation and reduction behavior of fluorite type solid solutions in U-Zr-O. The maximum solubility of ZrO 2 in UO 2 lattice could be achieved with a mild oxidizing followed by reducing conditions. The role of valency state of U is more dominating in controlling the unit cell parameters than the incorporated interstitial oxygen in the fluorite lattice. The controlled oxidation studies on U-Zr-O solid solutions led to the delineation of a new distorted fluorite lattice at the U:Zr=2:1 composition. The detailed crystal structure analysis of this ordered composition Zr 0.33U 0.67O 2.33 (ZrU 2O 7) has been carried from the powder XRD data. This phase crystallizes in an orthorhombically distorted fluorite type lattice with unit cell parameters: a=5.1678(2), b=5.4848(2), c=5.5557(2) Å and V=157.47(1) Å 3 (Space group: Cmcm, No. 63). The metal ions have distorted cubical polyhedra with anion similar to the fluorite structure. The excess anions are occupied in the interstitial (empty cubes) of the fluorite unit cell. The crystal structure and chemical analyses suggest approximately equal fractions of U 4+ and U 6+ in this compound. The details of the thermal stability as well as kinetics of formation and oxidation of ZrU 2O 7 are also studied using thermogravimetry.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_6");'>6</a></li> <li><a href="#" onclick='return showDiv("page_7");'>7</a></li> <li class="active"><span>8</span></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_8 --> <div id="page_9" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_7");'>7</a></li> <li><a href="#" onclick='return showDiv("page_8");'>8</a></li> <li class="active"><span>9</span></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="161"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2008AIPC..973..931K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2008AIPC..973..931K"><span>Microstructural Evolution of Al2O3-ZrO2 (Y2O3) Composites and its Correlation with Toughness</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kim, Hee Seung; Seo, Mi Young; Kim, Ik Jin</p> <p>2008-02-01</p> <p>The microstructure of zirconia (ZrO2) toughened alumina (Al2O3) ceramics was carefully controlled so as to obtain dense and fine-grained ceramics, thereby improving the properties and reliability of the ceramics for capillary applications in semiconductor bonding technology. Al2O3-ZrO2(Y2O3) composite was produced via Ceramic Injection Molding (CIM) technology, followed by Sinter-HIP process. Room temperature strength, hardness, Young's modulus, thermal expansion coefficient and toughness were determined, as well as surface strengthening induced by the fine grained homogenous microstructure and the thermal treatment. The changes in alumina/zirconia grain size, sintering condition and HIP treatment were found to be correlated.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JaJAP..56h6503C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JaJAP..56h6503C"><span>Electrical characteristics of SiO2/ZrO2 hybrid tunnel barrier for charge trap flash memory</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Choi, Jaeho; Bae, Juhyun; Ahn, Jaeyoung; Hwang, Kihyun; Chung, Ilsub</p> <p>2017-08-01</p> <p>In this paper, we investigate the electrical characteristics of SiO2/ZrO2 hybrid tunnel oxide in metal-Al2O3-SiO2-Si3N4-SiO2-silicon (MAONOS) structure in an effort to improve program and erase speed as well as retention characteristics. Inserting ZrO2 into the conventional MAONOS structure increased the programmed V th variation to 6.8 V, and increased the erased V th variation to -3.7 V at 17 MV/cm. The results can be understood in terms of reducing the Fowler-Nordheim (F/N) tunneling barrier due to high-k ZrO2 in the tunneling oxide. In addition, Zr diffusion in SiO2 caused the formation of Zr x Si1- x O2 at the interface region, which reduced the energy band gap of SiO2. The retention property of the hybrid tunnel oxide varied depending on the thickness of SiO2. For thin SiO2 less than 30 Å, the retention properties of the tunneling oxides were poor compared with those of the SiO2 only tunneling oxides. However, the hybrid tunneling oxides with SiO2 thickness thicker than 40 Å yielded improved retention behavior compared with those of the SiO2-only tunneling oxides. The detailed analysis in charge density of ZrO2 was carried out by ISPP test. The obtained charge density was quite small compared to that of the total charge density, which indicates that the inserted ZrO2 layer serves as a tunneling material rather than charge storage dielectric.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhRvB..96s5103M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhRvB..96s5103M"><span>Electronic properties and bonding in Zr Hx thin films investigated by valence-band x-ray photoelectron spectroscopy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Magnuson, Martin; Schmidt, Susann; Hultman, Lars; Högberg, Hans</p> <p>2017-11-01</p> <p>The electronic structure and chemical bonding in reactively magnetron sputtered Zr Hx (x =0.15 , 0.30, 1.16) thin films with oxygen content as low as 0.2 at.% are investigated by 4d valence band, shallow 4p core-level, and 3d core-level x-ray photoelectron spectroscopy. With increasing hydrogen content, we observe significant reduction of the 4d valence states close to the Fermi level as a result of redistribution of intensity toward the H 1s-Zr 4d hybridization region at ˜6 eV below the Fermi level. For low hydrogen content (x =0.15 , 0.30), the films consist of a superposition of hexagonal closest-packed metal (α phase) and understoichiometric δ -Zr Hx (Ca F2 -type structure) phases, while for x =1.16 , the films form single-phase Zr Hx that largely resembles that of stoichiometric δ -Zr H2 phase. We show that the cubic δ -Zr Hx phase is metastable as thin film up to x =1.16 , while for higher H contents the structure is predicted to be tetragonally distorted. For the investigated Zr H1.16 film, we find chemical shifts of 0.68 and 0.51 eV toward higher binding energies for the Zr 4 p3 /2 and 3 d5 /2 peak positions, respectively. Compared to the Zr metal binding energies of 27.26 and 178.87 eV, this signifies a charge transfer from Zr to H atoms. The change in the electronic structure, spectral line shapes, and chemical shifts as a function of hydrogen content is discussed in relation to the charge transfer from Zr to H that affects the conductivity by charge redistribution in the valence band.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5503357','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5503357"><span>Development of AlN and TiB2 Composites with Nb2O5, Y2O3 and ZrO2 as Sintering Aids</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>González, José C.; Rodríguez, Miguel Á.; Figueroa, Ignacio A.; Villafuerte-Castrejón, María-Elena; Díaz, Gerardo C.</p> <p>2017-01-01</p> <p>The synthesis of AlN and TiB2 by spark plasma sintering (SPS) and the effect of Nb2O5, Y2O3 and ZrO2 additions on the mechanical properties and densification of the produced composites is reported and discussed. After the SPS process, dense AlN and TiB2 composites with Nb2O5, Y2O3 and ZrO2 were successfully prepared. X-ray diffraction analysis showed that in the AlN composites, the addition of Nb2O5 gives rise to Nb4N3 during sintering. The compound Y3Al5O12 (YAG) was observed as precipitate in the sample with Y2O3. X-ray diffraction analysis of the TiB2 composites showed TiB2 as a single phase in these materials. The maximum Vickers and toughness values were 14.19 ± 1.43 GPa and 27.52 ± 1.75 GPa for the AlN and TiB2 composites, respectively. PMID:28772681</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29226675','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29226675"><span>Ferroelectric Polarization-Modulated Interfacial Fine Structures Involving Two-Dimensional Electron Gases in Pb(Zr,Ti)O3/LaAlO3/SrTiO3 Heterostructures.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Wang, Shuangbao; Bai, Yuhang; Xie, Lin; Li, Chen; Key, Julian D; Wu, Di; Wang, Peng; Pan, Xiaoqing</p> <p>2018-01-10</p> <p>Interfacial fine structures of bare LaAlO 3 /SrTiO 3 (LAO/STO) heterostructures are compared with those of LAO/STO heterostructures capped with upward-polarized Pb(Zr 0.1 ,Ti 0.9 )O 3 (PZT up ) or downward-polarized Pb(Zr 0.5 ,Ti 0.5 )O 3 (PZT down ) overlayers by aberration-corrected scanning transmission electron microscopy experiments. By combining the acquired electron energy-loss spectroscopy mapping, we are able to directly observe electron transfer from Ti 4+ to Ti 3+ and ionic displacements at the interface of bare LAO/STO and PZT down /LAO/STO heterostructure unit cell by unit cell. No evidence of Ti 3+ is observed at the interface of the PZT up /LAO/STO samples. Furthermore, the confinement of the two-dimensional electron gas (2DEG) at the interface is determined by atomic-column spatial resolution. Compared with the bare LAO/STO interface, the 2DEG density at the LAO/STO interface is enhanced or depressed by the PZT down or PZT up overlayer, respectively. Our microscopy studies shed light on the mechanism of ferroelectric modulation of interfacial transport at polar/nonpolar oxide heterointerfaces, which may facilitate applications of these materials as nonvolatile memory.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/863719','DOE-PATENT-XML'); return false;" href="https://www.osti.gov/servlets/purl/863719"><span>Structural silicon nitride materials containing rare earth oxides</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/doepatents">DOEpatents</a></p> <p>Andersson, Clarence A.</p> <p>1980-01-01</p> <p>A ceramic composition suitable for use as a high-temperature structural material, particularly for use in apparatus exposed to oxidizing atmospheres at temperatures of 400 to 1600.degree. C., is found within the triangular area ABCA of the Si.sub.3 N.sub.4 --SiO.sub.2 --M.sub.2 O.sub.3 ternary diagram depicted in FIG. 1. M is selected from the group of Yb, Dy, Er, Sc, and alloys having Yb, Y, Er, or Dy as one component and Sc, Al, Cr, Ti, (Mg +Zr) or (Ni+Zr) as a second component, said alloy having an effective ionic radius less than 0.89 A.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25040698','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25040698"><span>In vitro color evaluation of esthetic coatings for metallic dental implants and implant prosthetic appliances.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Pecnik, Christina M; Roos, Malgorzata; Muff, Daniel; Spolenak, Ralph; Sailer, Irena</p> <p>2015-05-01</p> <p>The aim of this study was to characterize the optical properties of newly developed esthetic coatings for metallic implants and components for an improved peri-implant soft tissue appearance. Pig maxillae (n = 6) were used for the in vitro color evaluation of coated and uncoated samples. Three different coating systems (Ti-ZrO(2), Ti-Al-ZrO(2), and Ti-Ag-ZrO(2)) were deposited on titanium substrates, which exhibited different roughness (polished, machined, and sand-blasted) and interference colors (pink, yellow, and white). Spectrophotometric measurements were made of samples below three different mucosa thicknesses (1 mm, 2 mm, and 3 mm) and titanium served as negative control. Color difference ΔE was calculated using ΔL, Δa, and Δb values for each sample (in total 30 samples). ΔE values were significantly above the threshold value of 3.70 for sand-blasted Ti and Ti-ZrO(2) samples when tested below 1 mm thick soft tissue, hence resulted in a dark appearance of the soft tissues. In contrast, Ti-Al-ZrO(2) and Ti-Ag-ZrO(2) samples showed significant ΔL values below 1 mm, which indicates a brightening of the covering tissue. In general, ΔE values decreased with increasing thickness of the tissue. At 3 mm thick tissue, ΔE values were significantly below 3.70 for Ti-Al-ZrO(2) and Ti-Ag-ZrO(2) samples. The preferable substrate surface should be machined due increased color brightness, good soft tissue integration and improved adhesion between coating and substrates. Improvement of the optical appearance of the metal was achieved with the coating systems Ti-Al-ZrO(2) and Ti-Ag-ZrO(2). Darkening effects could not be observed for these systems, and partially light brightening of the tissue was observed. Advantageous colors were suggested to be pink and yellow. © 2014 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/21113490-identification-phases-interaction-layer-between-mo-zr-al-mo-zr-al-si','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/21113490-identification-phases-interaction-layer-between-mo-zr-al-mo-zr-al-si"><span>Identification of phases in the interaction layer between U-Mo-Zr/Al and U-Mo-Zr/Al-Si</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Varela, C.L. Komar; Arico, S.F.; Mirandou, M.</p> <p></p> <p>Out-of-pile diffusion experiments were performed between U-7wt.% Mo-1wt.% Zr and Al or Al A356 (7,1wt.% Si) at 550 deg. C. In this work morphological characterization and phase identification on both interaction layer are presented. They were carried out by the use of different techniques: optical and scanning electron microscopy, X-Ray diffraction and WDS microanalysis. In the interaction layer U-7wt.% Mo-1wt.% Zr/Al, the phases UAl{sub 3}, UAl{sub 4}, Al{sub 20}Mo{sub 2}U and Al{sub 43}Mo{sub 4}U{sub 6} were identified. In the interaction layer U-7wt.% Mo-1wt.% Zr/Al A356, the phases U(Al, Si) with 25at.% Si and Si{sub 5}U{sub 3} were identified. This lastmore » phase, with a higher Si concentration, was identified with XRD Synchrotron radiation performed at the National Synchrotron Light Laboratory (LNLS), Campinas, Brasil. (author)« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/16541664','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/16541664"><span>[Microwave sintering of nanometer powder of alumina and zirconia-based dental ceramics].</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Chen, Yi-Fan; Lu, Dong-Mei; Wan, Qian-Bing; Jin, Yong; Zhu, Ju-Mu</p> <p>2006-02-01</p> <p>The objective of the present study was to investigate the feasibility and reliability of sintering alumina and zirconia-based all-ceramic materials through a recently introduced microwave heating technique. The variation of crystal phases, the growth of grain sizes and microstructural features of these materials were evaluated after sintering. Four different groups of powder (l00%Al2O3, 60%Al2O3+40%ZrO2, 40% Al2O3+60%ZrO2, 100% ZrO2) were respectively press-compacted to fabricate green disk samples, 5 specimen of each group were prepared. All the samples were surrounded by refractory materials for heat containment and processed at 1 600 degrees C in a domestic microwave oven (850 W, 2 450 MHz), 1 600 degrees C/5 min for heating rate, 10 min for holding time. After sintering, the phase composition and average grain size of these ceramics were examined using X-ray diffraction (XRD). Their microstructure characteristics were studied by scanning electron microscopy (SEM). All the specimens were successfully sintered with the application of microwave heating system in combination with a suitable thermal insulator. No phase change was found in alumina while monoclinic-zirconia was found to be transformed to tetragonal-zirconia. A little grain size growth of Al2O3 and ZrO2 has been observed with Al2O3 24.1 nm/before and 51.8 nm/after; ZrO2 25.3 nm/before and 29.7 nm/after. The SEM photos indicated that the microwave-sintered Al2O3-ZrO2 ceramics had a uniform crystal distribution and their crystal sizes could be maintained within the range of nanometers. It is expected that in the near future microwave heating system could be a promising substitute for conventional processing methods due to its unparalled advantages, including more rapid heating rate, shortened sintering time, superfine grain size, improved microstructure and much less expensive equipment.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018ApSS..432...34M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018ApSS..432...34M"><span>Forming mechanism of Te-based conductive-bridge memories</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Mendes, M. Kazar; Martinez, E.; Marty, A.; Veillerot, M.; Yamashita, Y.; Gassilloud, R.; Bernard, M.; Renault, O.; Barrett, N.</p> <p>2018-02-01</p> <p>We investigated origins of the resistivity change during the forming of ZrTe/Al2O3 based conductive-bridge resistive random access memories. Non-destructive hard X-ray photoelectron spectroscopy was used to investigate redox processes with sufficient depth sensitivity. Results highlighted the reduction of alumina correlated to the oxidation of zirconium at the interface between the solid electrolyte and the active electrode. In addition the resistance switching caused a decrease of Zr-Te bonds and an increase of elemental Te showing an enrichment of tellurium at the ZrTe/Al2O3 interface. XPS depth profiling using argon clusters ion beam confirmed the oxygen diffusion towards the top electrode. A four-layer capacitor model showed an increase of both the ZrO2 and AlOx interfacial layers, confirming the redox process located at the ZrTe/Al2O3 interface. Oxygen vacancies created in the alumina help the filament formation by acting as preferential conductive paths. This study provides a first direct evidence of the physico-chemical phenomena involved in resistive switching of such devices.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018MS%26E..290a2044A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018MS%26E..290a2044A"><span>Optimizing the Synthesis of Alumina Inserts Using Hot Isostatic Pressing (HIP)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ariff, T. F.; Azhar, A. Z.; Sariff, M. N.; Rasid, S. N.; Zahari, S. Z.; Bahar, R.; Karim, M.; Nurul Amin, AKM</p> <p>2018-01-01</p> <p>Alumina or Aluminium Oxide (Al2O3) is well known for its high strength and hardness. Its low heat retention and low specific heat characteristics make it attractive to be used widely as a cutting tool for grinding, milling and turning processes. Various synthesis methods have been used for the purpose of enhancing the properties of the alumina inserts. However, the optimization process using Hot Isostatic Pressing (HIP) has not been performed. This research aims in finding the optimum parameters in synthesizing the alumina inserts (98Al2O3 1.6ZrO2 0.4MgO, 93Al2O3 6.4ZrO2 0.6MgO and 85Al2O3 14.5ZrO2 0.5MgO) using HIP at different temperatures (1200, 1250 and 1300°C) and sintering time (10, 30 and 60 minutes). Hardness, density, shrinkage and microstructure using SEM were analysed. The optimum sintering condition for the alumina insert was found in 98Al2O3 1.6ZrO2 0.4MgO sintered at 1300°C for 60 minutes for it exhibited the highest values of hardness (1917HV), density (3.95g/cm3), shrinkage (9.6%).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2007JAP...101h6101Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2007JAP...101h6101Y"><span>Fine-grained BaZr0.2Ti0.8O3 thin films for tunable device applications</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ying, Z.; Yun, P.; Wang, D. Y.; Zhou, X. Y.; Song, Z. T.; Feng, S. L.; Wang, Y.; Chan, H. L. W.</p> <p>2007-04-01</p> <p>A study of the structure and in-plane dielectric properties of BaZr0.2Ti0.8O3 thin film epitaxially grown on (LaAlO3)0.3(Sr2AlTaO6)0.35 (001) single-crystal substrates through pulsed-laser deposition has been carried out. X-ray diffraction measurements revealed a good crystallinity and tensile in-plane stress in the film. Fine grains with an average size of ˜20 nm were observed using atomic force microscopy. Curie temperature of the film was found to be ˜120 °C, which is 100 °C higher than that of the ceramic. Butterfly-shaped C-V curve confirmed the in-plane ferroelectric state in the film. A large dielectric tunability of ˜50% was found in the film.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2002PhDT.........8E','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2002PhDT.........8E"><span>The synthesis and application of pillared clays prepared from charge reduced montmorillonite</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Engwall, Erik Edwin</p> <p></p> <p>The synthesis of pillared interlayered clays (PILCs) makes use of the cation exchange capacity (CEC) of clay minerals to prop their structures open with large hydroxy-metal cations. Homo-ionic Ca-Montmorillonite with a CEC of 83.9 meq/100 g has been partially exchanged with varied amounts of Li+ and heated to 200°C for 24 hours. These have been used to produce Zr and Al PILCs making use of ethanol/water synthesis solutions to overcome the hydrophobic nature of the clay. For the Zr-PILC system, the d(001) spacings determined by x-ray diffraction (XRD) were relatively constant at 19.0--20.1 A with respect to changing the unpillared CEC. The Zr-PILCs had type I isotherms for argon at 87 K and for benzene, p-xylene and 1,3,5-trimethylbenzene adsorption at 30°C. Several Al-PILC synthesis procedures were evaluated and all produced materials whose adsorption capacity decreased with decreasing unpillared CEC. This reduction in adsorption capacity with unpillared CEC could be partially overcome by the combined use of ethanol/water pillaring solutions with ethanol/water washing. Previously unreported d(001) values in the range of 26.8 to 29.8 A were observed in Al-PILCs and were often bimodal with the expected values of about 18 A. These larger d(001) values were most prevalent at lower CEC values, if pillaring conditions favored the formation of polymeric species other than the Keggin cation. A new micropore size distribution model was developed to better understand PILC pore structure. The new model was compared to the Horvath and Kawazoe (1983) model (HK) and the Cheng and Yang (1994) model (CY) using argon adsorption at 87 K on Zr and Al-PILCs. The interlayer spacings determined by XRD for the test PILCs were 9.5 and 8.5 A for Zr and Al-PILCs respectively. Pore sizes predicted by the new model were 7.5 and 7.3 A for Zr and Al-PILCs respectively. The new model consistently predicts values that are closer to the interlayer spacing than either the HK or CY models. The new model showed little change in pore size with changes in unpillared CEC for the Zr-PILC system. These results indicate that the limiting dimension in the PILC pore system is the inter-layer spacing and not the inter-pillar spacing. (Abstract shortened by UMI.)</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017OptMa..73..541K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017OptMa..73..541K"><span>Raman spectroscopy and electron-phonon coupling in Eu3+ doped Gd2Zr2O7 nanopowders</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Krizan, G.; Gilic, M.; Ristic-Djurovic, J. L.; Trajic, J.; Romcevic, M.; Krizan, J.; Hadzic, B.; Vasic, B.; Romcevic, N.</p> <p>2017-11-01</p> <p>The Raman spectra of Eu3+ doped Gd2Zr2O7 nanopowders were measured. We registered three phonons at 177 cm-1, 268 cm-1, and 592 cm-1, as well as their overtones at 354 cm-1, 445 cm-1, 708 cm-1, 1062 cm-1, 1184 cm-1, ∼1530 cm-1, and ∼1720 cm-1. The phonon at 592 cm-1 is known to be characteristic for Gd2Zr2O7 fluorite-type structure; however, the other two have not been registered so far. We found that the position of the newly detected phonons agrees well with the observed electron-phonon interaction. On the other hand, the registered multiphonon processes were a consequence of miniaturization that further induced changes in electronic structure of Eu3+ doped Gd2Zr2O7 nanopowders.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1340709-two-cubic-phases-kimzeyite-garnet-from-type-locality-magnet-cove-arkansas','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1340709-two-cubic-phases-kimzeyite-garnet-from-type-locality-magnet-cove-arkansas"><span></span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Antao, Sytle M.; Cruickshank, Laura A.</p> <p></p> <p>The crystal structure of an optically anisotropic kimzeyite garnet from Magnet Cove, Arkansas, USA, where it was first discovered, was refined with the Rietveld method, cubic space group, Ia\\overline 3 d, and monochromatic [λ = 0.41422 (2) Å] synchrotron high-resolution powder X-ray diffraction (HRPXRD) data. The Rietveld refinement reduced χ 2and overallR(F 2) values are 1.840 and 0.0647, respectively. The sample, with the general garnet formula [8]X 3 [6]Y 2 [4]Z 3 [4]O 12, contains an intergrowth of two cubic phases that occur initially as oscillatory growth zoning, and patchy intergrowths arise later from fluid-enhanced dissolution and re-precipitation. The twomore » compositions obtained with electron-probe microanalyses (EPMA) are Ca 3.00(Zr 1.31Ti 4+ 0.46Fe 3+ 0.22Mn 3+ 0.01) Σ2[Al 0.76Fe 3+ 1.01Si 1.23] Σ3O 12for phase 1aand Ca 2.99(Zr 1.48Ti 4+ 0.37Fe 3+ 0.15) Σ2[Al 0.87Fe 3+ 0.98Si 1.15] Σ3O 12for phase 1b. The weight percentage, unit-cell parameter (Å), distances (Å), and site occupancy factors (s.o.f.s) for phase 1aare as follows: 42.6 (2)%,a= 12.46553 (3) Å, average <X—O> = 2.482,Y—O = 2.059 (2),Z—O = 1.761 (2) Å, Ca (Xs.o.f.) = 0.960 (4), Zr (Ys.o.f.) = 0.809 (3), and Fe (Zs.o.f.) = 0.623 (2). The corresponding values for phase 1bare 57.4 (2)%,a= 12.47691 (2) Å, average <X—O> = 2.482,Y—O = 2.062 (1),Z—O = 1.762 (1) Å, Ca (Xs.o.f.) = 0.957 (3), Zr (Ys.o.f.) = 0.828 (2) and Fe (Zs.o.f.) = 0.617 (2). The main structural differences between the two phases are in the unit-cell parameter, Δa= 0.01138 Å,Y(s.o.f.), andY—O distance. Structural mismatch between the two cubic phases in a crystal gives rise to strain-induced optical anisotropy.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2011JAP...109k3538L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2011JAP...109k3538L"><span>Formation and structure of Al-Zr metallic glasses studied by Monte Carlo simulations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Li, J. H.; Zhao, S. Z.; Dai, Y.; Cui, Y. Y.; Liu, B. X.</p> <p>2011-06-01</p> <p>Based on the recently constructed n-body potential, both molecular dynamics and Monte Carlo simulations revealed that the Al-Zr amorphous alloy or metallic glass can be obtained within the composition range of 24-66 at. % Zr. The revealed composition range could be considered the intrinsic glass-forming range and it quantitatively indicates the glass-forming ability of the Al-Zr system. The underlying physics of the finding is that, within the composition range, the amorphous alloys are energetically favored to form. In addition, it is proposed that the energy difference between a solid solution and the amorphous phase could serve as the driving force of the crystalline to amorphous transition and the driving force should be sufficiently large for amorphization to take place. The minimum driving forces for fcc Al-based and hcp Zr-based Al-Zr solid solutions to amorphize are calculated to be about -0.05 and -0.03 eV/atom, respectively, whereas the maximum driving force is found to be -0.23 eV/atom at the alloy stoichiometry of Al60Zr40. A thermodynamics parameter γ¯, defined as the ratio of the driving force to the formation energy of the solid solution, is further proposed to indicate the glass-forming ability of an Al-Zr alloy. Thermodynamics calculations show that the glass-forming ability of the Al56Zr44 alloy is the largest, implying that the Al56Zr44 amorphous alloy is more ready to form than other alloys in the Al-Zr system. Besides, Voronoi analysis found that there exists a strong correlation between the coordinate number and structure. Amorphization could result in increase of coordinate numbers and about 1.5% volume-expansion. The volume-expansion induced by amorphization can be attributed to two factors, i.e., the total bond number of the Al-Zr amorphous phase is greater than that of the corresponding solid solution, and the averaged bond length of the Al-Zr amorphous phase is longer than that of the corresponding solid solution. For the Al-Zr alloys, especially for the Al-Zr amorphous phase, there exists a negative chemical micro-inhomogeneity in the alloys, suggesting that metallic bonds prefer to be formed between the atoms of dissimilar species. Finally, it is found that there is a weak correspondence between the bond-angle distributions of Al-Zr amorphous alloys and the solid solutions. It is further suggested that the configuration of Al-Zr amorphous alloys embodies some hybrid imprint of bcc, fcc, and hcp structures. More interestingly, the short-range order is also observed in the bond-angle distributions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018MRE.....5a5039L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018MRE.....5a5039L"><span>A new approach to preparing Bi2Zr2O7 photocatalysts for dye degradation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Luo, Yijia; Cao, Liyun; Huang, Jianfeng; Feng, Liangliang; Yao, Chunyan</p> <p>2018-01-01</p> <p>A new synthetic route is presented to prepared pure Bi2Zr2O7 material, in which a NaNO3/KNO3 molten salt is used to obtain the resulting Bi2Zr2O7 at a relatively low temperature of 400 °C under atmospheric pressure. Powder x-ray diffraction confirmed the structure type and purity of the as-prepared sample, and further revealed that a single-source Bi(OH)3 · Zr(OH)4 · nH2O complex precursor plays a crucial role to synthesize Bi2Zr2O7 nanocrystals. Scanning electron microscope and transmission electron microscope show the morphologies and sizes of Bi2Zr2O7 crystal in detail, and UV-vis diffuse reflectance measurements evidenced the wide light absorption range. Furthermore, the as-synthesized Bi2Zr2O7 with smaller particle size and larger specific surface area exhibit superior photocatalytic activities compared with the sample obtained without adding molten salts.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25280721','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25280721"><span>Biocompatible Ni-free Zr-based bulk metallic glasses with high-Zr-content: compositional optimization for potential biomedical applications.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Hua, Nengbin; Huang, Lu; Chen, Wenzhe; He, Wei; Zhang, Tao</p> <p>2014-11-01</p> <p>The present study designs and prepares Ni-free Zr60+xTi2.5Al10Fe12.5-xCu10Ag5 (at.%, x=0, 2.5, 5) bulk metallic glasses (BMGs) by copper mold casting for potential biomedical application. The effects of Zr content on the in vitro biocompatibility of the Zr-based BMGs are evaluated by investigating mechanical properties, bio-corrosion behavior, and cellular responses. It is found that increasing the content of Zr is favorable for the mechanical compatibility with a combination of low Young's modulus, large plasticity, and high notch toughness. Electrochemical measurements demonstrate that the Zr-based BMGs are corrosion resistant in a phosphate buffered saline solution. The bio-corrosion resistance of BMGs is improved with the increase in Zr content, which is attributed to the enrichment in Zr and decrease in Al concentration in the surface passive film of alloys. Regular cell responses of mouse MC3T3-E1 cells, including cell adhesion and proliferation, are observed on the Zr-Ti-Al-Fe-Cu-Ag BMGs, which reveals their general biosafety. The high-Zr-based BMGs exhibit a higher cell proliferation activity in comparison with that of pure Zr and Ti-6Al-4V alloy. The effects of Zr content on the in vitro biocompatibility can be used to guide the future design of biocompatible Zr-based BMGs. Copyright © 2014 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1413722-influence-ag-concentration-medium-range-order-cuzralag-bulk-metallic-glass','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1413722-influence-ag-concentration-medium-range-order-cuzralag-bulk-metallic-glass"><span>Influence of the Ag concentration on the medium-range order in a CuZrAlAg bulk metallic glass</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Gammer, C.; Escher, B.; Ebner, C.; ...</p> <p>2017-03-21</p> <p>Fluctuation electron microscopy of bulk metallic glasses of CuZrAl(Ag) demonstrates that medium-range order is sensitive to minor compositional changes. Furthermore, by analyzing nanodiffraction patterns medium-range order is detected with crystal-like motifs based on the B2 CuZr structure and its distorted structures resembling the martensitic ones. This result thus demonstrates some structural homology between the metallic glass and its high temperature crystalline phase. The amount of medium-range order seems slightly affected with increasing Ag concentration (0, 2, 5 at.%) but the structural motifs of the medium-range ordered clusters become more diverse at the highest Ag concentration. The decrease of dominant clustersmore » is consistent with the destabilization of the B2 structure measured by calorimetry and accounts for the increased glass-forming ability.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1413722','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1413722"><span>Influence of the Ag concentration on the medium-range order in a CuZrAlAg bulk metallic glass</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Gammer, C.; Escher, B.; Ebner, C.</p> <p></p> <p>Fluctuation electron microscopy of bulk metallic glasses of CuZrAl(Ag) demonstrates that medium-range order is sensitive to minor compositional changes. Furthermore, by analyzing nanodiffraction patterns medium-range order is detected with crystal-like motifs based on the B2 CuZr structure and its distorted structures resembling the martensitic ones. This result thus demonstrates some structural homology between the metallic glass and its high temperature crystalline phase. The amount of medium-range order seems slightly affected with increasing Ag concentration (0, 2, 5 at.%) but the structural motifs of the medium-range ordered clusters become more diverse at the highest Ag concentration. The decrease of dominant clustersmore » is consistent with the destabilization of the B2 structure measured by calorimetry and accounts for the increased glass-forming ability.« less</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_7");'>7</a></li> <li><a href="#" onclick='return showDiv("page_8");'>8</a></li> <li class="active"><span>9</span></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_9 --> <div id="page_10" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_8");'>8</a></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li class="active"><span>10</span></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="181"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018ResPh...9..166G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018ResPh...9..166G"><span>Synthesizing (ZrAl3 + AlN)/Mg-Al composites by a 'matrix exchange' method</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gao, Tong; Li, Zengqiang; Hu, Kaiqi; Han, Mengxia; Liu, Xiangfa</p> <p>2018-06-01</p> <p>A method named 'matrix exchange' to synthesize ZrAl3 and AlN reinforced Mg-Al composite was developed in this paper. By inserting Al-10ZrN master alloy into Mg matrix and reheating the cooled ingot to 550 °C, Al and Mg atoms diffuse to the opposite side. As a result, liquid melt occurs once the interface areas reach to proper compositions. Then dissolved Al atoms react with ZrN, leading to the in-situ formation of ZrAl3 and AlN particles, while the Al matrix is finally replaced by Mg. This study provides a new insight for preparing Mg composites.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015PMM...116..346K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015PMM...116..346K"><span>Structure and mechanical properties of aging Al-Li-Cu-Zr-Sc-Ag alloy after severe plastic deformation by high-pressure torsion</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kaigorodova, L. I.; Rasposienko, D. Yu.; Pushin, V. G.; Pilyugin, V. P.; Smirnov, S. V.</p> <p>2015-04-01</p> <p>The structural and phase transformations have been studied in aging commercial aluminum-lithium alloy Al-1.2 Li-3.2 Cu-0.09 Zr-0.11 Sc-0.4 Ag-0.3 Mg in the as-delivered state and after severe plastic deformation by torsion for 1, 5 and 10 revolutions under a high pressure of 4 GPa. Deformation-induced nanofragmentation and dynamic recrystallization have been found to occur in the alloy. The degree of recrystallization increases with deformation. Nanofragmentation and recrystallization processes are accompanied by the deformation-induced decomposition of solid solution and changes in both the nucleation mechanism of precipitation and the phase composition of the alloy. The influence of a nanostructured nanophase state of the alloy on its mechanical properties (microhardness, plasticity, elastic modulus, and stiffness) is discussed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22443413-sulfuric-acid-functional-zirconium-aluminum-incorporated-mesoporous-mcm-solid-acid-catalysts-alkylation-phenol-tert-butyl-alcohol','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22443413-sulfuric-acid-functional-zirconium-aluminum-incorporated-mesoporous-mcm-solid-acid-catalysts-alkylation-phenol-tert-butyl-alcohol"><span>Sulfuric acid functional zirconium (or aluminum) incorporated mesoporous MCM-48 solid acid catalysts for alkylation of phenol with tert-butyl alcohol</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Jiang, Tingshun, E-mail: tshjiang@mail.ujs.edu.cn; Cheng, Jinlian; Liu, Wangping</p> <p>2014-10-15</p> <p>Several zirconium (or aluminum) incorporated mesoporous MCM-48 solid acid catalysts (SO{sub 4}{sup 2−}/Zr-MCM-48 and SO{sub 4}{sup 2−}/Al-MCM-48) were prepared by the impregnation method and their physicochemical properties were characterized by means of XRD, FT-IR, TEM, NH{sub 3}-TPD and N{sub 2} physical adsorption. Also, the catalytic activities of these solid acid catalysts were evaluated by the alkylation of phenol with tert-butyl alcohol. The effect of weight hour space velocity (WHSV), reaction time and reaction temperature on catalytic properties was also studied. The results show that the SO{sub 4}{sup 2−}/Zr-MCM-48 and SO{sub 4}{sup 2−}/Al-MCM-48 still have good mesoporous structure and long rangemore » ordering. Compared with the Zr (or Al)–MCM-48 samples, SO{sub 4}{sup 2−}/Zr-MCM-48 and SO{sub 4}{sup 2−}/Al-MCM-48 solid acid catalysts have strong acidity and exhibit high activities in alkylation reaction of phenol with tert-butyl alcohol. The SO{sub 4}{sup 2−}/Zr-MCM-48-25 (molar ratio of Si/Zr=0.04) catalyst was found to be the most promising and gave the highest phenol conversion among all catalysts. A maximum phenol conversion of 91.6% with 4-tert-butyl phenol (4-TBP) selectivity of 81.8% was achieved when the molar ratio of tert-butyl alcohol:phenol is 2:1, reaction time is 2 h, the WHSV is 2 h{sup −1} and the reaction temperature is 140 °C. - Highlights: • Sulfuric acid functional mesoporous solid acid catalysts were prepared via impregnation method. • The alkylation of phenol with tert-butyl alcohol was carried out over these solid acid catalysts. • The catalytic activity of SO{sub 4}{sup 2−}/Zr-MCM-48-25 catalyst is much higher than that of the others. • A maximum phenol conversion of 91.6% was achieved under optimum reaction conditions for SO{sub 4}{sup 2−}/Zr-MCM-48-25.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JaJAP..55jTA08O','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JaJAP..55jTA08O"><span>Composition dependences of crystal structure and electrical properties of epitaxial Pb(Zr,Ti)O3 films grown on Si and SrTiO3 substrates</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Okamoto, Shoji; Okamoto, Satoshi; Yokoyama, Shintaro; Akiyama, Kensuke; Funakubo, Hiroshi</p> <p>2016-10-01</p> <p>{100}-oriented Pb(Zr x ,Ti1- x )O3 (PZT) thin films of approximately 2 µm thickness and Zr/(Zr + Ti) ratios of 0.39-0.65 were epitaxially grown on (100)cSrRuO3//(100)SrTiO3 (STO) and (100)cSrRuO3//(100)cLaNiO3//(100)CeO2//(100)YSZ//(100)Si (Si) substrates having different thermal expansion coefficients by pulsed metal-organic chemical vapor deposition (MOCVD). The effects of Zr/(Zr + Ti) ratio and type of substrate on the crystal structure and dielectric, ferroelectric and piezoelectric properties of the films were systematically investigated. The X-ray diffraction measurement showed that both films changed from having a tetragonal symmetry to rhombohedral symmetry through the coexisting region with increasing Zr/(Zr + Ti) ratio. This region showed the Zr/(Zr + Ti) ratios of 0.45-0.59 for the films on the STO substrates that were wider than the films on the Si substrates. Saturation polarization values were minimum at approximately Zr/(Zr + Ti) = 0.50 for the films on the STO substrates, and no obvious Zr/(Zr + Ti) ratio dependence was detected in the films on the Si substrates. On the other hand, the maximum field-induced strain values measured by scanning force microscopy at approximately Zr/(Zr + Ti) = 0.50 at 100 kV/cm were about 0.5 and 0.1% in the films on the Si and STO, respectively.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017AIPC.1876b0009D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017AIPC.1876b0009D"><span>A study of Pd/SO4/ZrO2/Al2O3 catalysts in n-hexane isomerization</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Dzhikiya, O. V.; Smolikov, M. D.; Kazantsev, K. V.; Yablokova, S. S.; Kireeva, T. V.; Paukshtis, E. A.; Gulyaeva, T. I.; Belyi, A. S.</p> <p>2017-08-01</p> <p>The effect of palladium concentration in a range from 0.02 to 1.6 wt.% on characteristics of n-hexane isomerization was studied. The (O2-Hchem) titration and O2 chemisorption study revealed that palladium in Pd/SO4/ZrO2/Al2O3 systems adsorbs hydrogen in a ratio H/Pds = 1.13-1.65 at./at. Investigation of the charge state of the metal by IR spectroscopy of adsorbed CO showed the presence of both the metallic (Pd0) and charged palladium species. Pd/SO4/ZrO2/Al2O3 catalysts with charged palladium atoms exhibit high activity and selectivity in n-hexane isomerization.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018AIPC.1927c0031K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018AIPC.1927c0031K"><span>Morphological characterization of ceramic fillers made from Indonesian natural sand as restorative dental materials</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Karlina, E.; Susra, S.; Fatmala, Y.; Hartoyo, H. M.; Takarini, V.; Usri, K.; Febrida, R.; Djustiana, N.; Panatarani, C.; Joni, I. M.</p> <p>2018-02-01</p> <p>Dental composite as restorative dental materials can be reinforced using ceramic fillers. Homogeneous distribution of filler particles shall improve its mechanical properties. This paper presents the results of the preliminary study on the ZrO2-Al2O3-SiO2 ceramic fillers made from Indonesian natural sand that can increase the mechanical properties of dental composite. The synthesis was done using zirconium silicate sand (ZrSiO4) and aluminium oxide (Al2O3) precursors, which dissolved together with 70:30 weight ratios. Two types of sand were used: (1) manufactured sand (mesh #80) and (2) natural sand (mesh #400). The samples then heated in the furnace at 1100 °C for 8 hours. The morphological characterization was then evaluated using JEOL Scanning Electron Microscope (SEM) for the surface structure that analyze particles size and distribution. Ceramic fillers made from natural sand is homogenous, well distributed with average particle size of 5-10 µm. Comparably, ceramic filler made from the manufactured sand is heterogeneous, poorly distributed and appear as agglomerates with average particle size are 30-50 µm. The results suggest that ceramic fillers made from natural sand demonstrate better character to represent as a functional restorative dental material.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014IJMMM..21...95K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014IJMMM..21...95K"><span>Influence of sulfides on the tribological properties of composites produced by pulse electric current sintering</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kim, Seung Ho</p> <p>2014-01-01</p> <p>Self-lubricating Al2O3-15wt% ZrO2 composites with sulfides, such as molybdenum disulfide (MoS2) and tungsten disulfide (WS2) serving as solid lubricants, were fabricated by using the pulse electric current sintering (PECS) technique. The coefficient of friction (COF) of the Al2O3-15wt% ZrO2 composite without/with sulfides was in the range of 0.37-0.48 and 0.27-0.49, respectively. As the amount of sulfides increased, the COF and the wear rate decreased. The reduction in COF and wear rate of the sulfide-containing composite is caused by a reduction in shear stresses between the specimen and the tribological medium due to the formation of a lubricating film resulting from the lamellar structure of sulfides located on the worn surface.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27468433','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27468433"><span>Intramolecular mobility of η(5)-ligands in chiral zirconocene complexes and the enantioselectivity of alkene functionalization by organoaluminum compounds.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Parfenova, Lyudmila V; Zakirova, Irina V; Kovyazin, Pavel V; Karchevsky, Stanislav G; Istomina, Galina P; Khalilov, Leonard M; Dzhemilev, Usein M</p> <p>2016-08-09</p> <p>The effect of solvent nature (CD2Cl2, d8-toluene, d8-THF) on the conformational behavior of neomenthyl-substituted zirconocenes CpInd*ZrCl2 (Cp = η(5)-C5H5, Ind* = η(5)-neomenthylindenyl), CpCp'ZrCl2 (Cp = η(5)-C5H5, Cp' = η(5)-neomenthyl-4,5,6,7-tetrahydroindenyl), and Ind*2ZrCl2 (Ind* = η(5)-neomenthylindenyl) was shown by means of dynamic NMR spectroscopy, and the constants and thermodynamic parameters of conformer exchange were determined. The experimental conformational composition of the complexes was compared with structures obtained by quantum chemical modeling using the DFT methods PBE/3ζ and M06-2X/cc-pVDZ(H, C, Cl)/cc-pVDZ-PP(Zr), which predicted three rotamers in the case of both CpInd*ZrCl2 and CpCp'ZrCl2, and seven rotational isomers for Ind*2ZrCl2, three of these being C2-symmetric and the others being asymmetric. The enantioselectivity of the conformationally mobile complex Ind*2ZrCl2 in the reactions of terminal alkenes with AlR3 (R = Me, Et) was compared with that of rigid ansa-complexes, rac-p-S, p-S-[Y(η(5)-C9H10)2]ZrX2 (Y = SiMe2, C2H4; X = S-binaphtholate). Faster exchange between the conformers of Ind*2ZrCl2 in a chlorinated solvent gives the structural isomer of catalytically active sites, which affords higher substrate conversion and reaction enantioselectivity. Binding of the ligands to ansa-zirconocenes prevents the rotational isomerism of the complexes, providing the same configuration of the β-stereogenic center in the methyl- and ethylalumination products (unlike the conformationally mobile complex Ind*2ZrCl2) with an enantiomeric purity of 50-65%.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2002JAP....92.6756J','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2002JAP....92.6756J"><span>Fatigue in artificially layered Pb(Zr,Ti)O3 ferroelectric films</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Jiang, A. Q.; Scott, J. F.; Dawber, M.; Wang, C.</p> <p>2002-12-01</p> <p>We have performed fatigue tests on lead zirconate titanate (PZT) multilayers having stacks of Pb(Zr0.8Ti0.2)O3/Pb(Zr0.2Ti0.8)O3 with repeated distances of 12 formula groups. The results are compared with single-layer n-type (0.5 at. % Ta-doped) PZT films. We conclude that fatigue is dominated by space-charge layers in each case, but that in the multilayer such space charge accumulates at the layer interfaces, rather than at the electrode-dielectric interface. The model, which includes both drift and diffusion, is quantitative and yields a rate-limiting mobility of 6.9±0.9×10-12 cm2/V s, in excellent agreement with the oxygen vacancy mobility for perovskite oxides obtained from Zafar et al.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018ApSS..434..582K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018ApSS..434..582K"><span>Selective generation of laser-induced periodic surface structures on Al2O3-ZrO2-Nb composites</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kunz, Clemens; Bartolomé, José F.; Gnecco, Enrico; Müller, Frank A.; Gräf, Stephan</p> <p>2018-03-01</p> <p>Laser-induced periodic surface structures (LIPSS) were selectively fabricated on the metal phase of Al2O3-nZrO2-Nb (78.3-1.7-20 vol.%) ceramic matrix composites. For this purpose, sample surfaces were irradiated with fs-laser pulses (τ = 300 fs, λ = 1025 nm) of different laser peak fluences ranging from 0.23 to 0.40 J/cm2. The structured surfaces were characterised by scanning electron microscopy (SEM), atomic force microscopy (AFM), attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), and by measuring the water contact angle. Well-pronounced LIPSS with a period of Λ ≈ 750 nm and a height of h ≈ 263 nm were found solely on the metal phase of the composite when applying the highest fluence whereas no structural and chemical modifications were found on the surface of the ceramic matrix. This can be explained by the different light absorption behaviour of both phases, which results in different ablation thresholds. The water contact angle of composite surfaces was successfully reduced from 68.4° for untreated samples to 40.9° for structured samples. Selectively structured composites with adjustable wettability are of particular interest for biomedical and tribological applications.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29748813','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29748813"><span>Low-temperature co-purification of NO x and Hg0 from simulated flue gas by Ce x Zr y Mn z O2/r-Al2O3: the performance and its mechanism.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Lu, Pei; Yue, Huifang; Xing, Yi; Wei, Jianjun; Zeng, Zheng; Li, Rui; Wu, Wanrong</p> <p>2018-05-11</p> <p>In this study, series of Ce x Zr y Mn z O 2 /r-Al 2 O 3 catalysts were prepared by impregnation method and explored to co-purification of NO x and Hg 0 at low temperature. The physical and chemical properties of the catalysts were investigated by XRD, BET, FTIR, NH 3 -TPD, H 2 -TPR, and XPS. The experimental results showed that 10% Ce 0.2 Zr 0.3 Mn 0.5 O 2 /r-Al 2 O 3 yielded higher conversion on co-purification of NO x and Hg 0 than the other prepared catalysts at low temperature, especially at 200-300 °C. 91% and 97% convert rate of NO x and Hg 0 were obtained, respectively, when 10% Ce 0.2 Zr 0.3 Mn 0.5 O 2 /r-Al 2 O 3 catalyst was used at 250 °C. Moreover, the presence of H 2 O slightly decreased the removal of NO x and Hg 0 owing to the competitive adsorption of H 2 O and Hg 0 . When SO 2 was added, the removal of Hg 0 first increased slightly and then presented a decrease due to the generation of SO 3 and (NH 4 ) 2 SO 4 . The results of NH 3 -TPD indicated that the strong acid of 10% Ce 0.2 Zr 0.3 Mn 0.5 O 2 /r-Al 2 O 3 improved its high-temperature activity. XPS and H 2 -TPR results showed there were high-valence Mn and Ce species in 10% Ce 0.2 Zr 0.3 Mn 0.5 O 2 /r-Al 2 O 3 , which could effectively promote the removal of NO x and Hg 0 . Therefore, the mechanisms of Hg 0 and NO x removal were proposed as Hg (ad) + [O] → HgO (ad), and 2NH 3 /NH 4 + (ad) + NO 2 (ad) + NO (g) → 2 N 2 + 3H 2 O/2H + , respectively. Graphical abstract ᅟ.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5978126','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5978126"><span>High-Temperature Wettability and Interactions between Y-Containing Ni-Based Alloys and Various Oxide Ceramics</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Li, Jinpeng; Gao, Ming; Li, Qingling; Bian, Weidong; Tao, Tongxiang; Zhang, Hu</p> <p>2018-01-01</p> <p>To obtain appropriate crucible materials for vacuum induction melting of MCrAlY alloys, four different oxide ceramics, including MgO, Y2O3, Al2O3, and ZrO2, with various microstructures were designed and characterized. The high-temperature wettability and interactions between Ni-20Co-20Cr-10Al-1.5Y alloys and oxide ceramics were studied by sessile drop experiments under vacuum. The results showed that all the systems exhibited non-wetting behavior. The contact angles were stable during the melting process of alloys and the equilibrium contact angles were 140° (MgO), 148° (Y2O3), 154° (Al2O3), and 157° (ZrO2), respectively. The interfacial reaction between the ceramic substrates and alloys occurred at high temperature. Though the ceramics had different microstructures, similar continuous Y2O3 reaction layer with thicknesses of about 25 μm at the alloy-ceramic interface in MgO, Al2O3, and ZrO2 systems formed. The average area percentage of oxides in the alloy matrices were 0.59% (MgO), 0.11% (Al2O3), 0.09% (ZrO2), and 0.02% (Y2O3), respectively. The alloys, after reacting with MgO ceramic, had the highest inclusion content, while those with the lowest content were in the Y2O3 system. Y2O3 ceramic was the most beneficial for vacuum induction melting of high-purity Y-containing Ni-based alloys. PMID:29735958</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA623815','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA623815"><span>Effect of Atomic Layer Depositions (ALD)-Deposited Titanium Oxide (TiO2) Thickness on the Performance of Zr40Cu35Al15Ni10 (ZCAN)/TiO2/Indium (In)-Based Resistive Random Access Memory (RRAM) Structures</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>2015-08-01</p> <p>metal structures, memristors, resistive random access memory, RRAM, titanium dioxide, Zr40Cu35Al15Ni10, ZCAN, resistive memory, tunnel junction 16...TiO2 thickness ........................6 1 1. Introduction Resistive-switching memory elements based on metal-insulator-metal (MIM) diodes ...have attracted great interest due to their potential as components for simple, inexpensive, and high-density non-volatile storage devices. MIM diodes</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010JTST...19..207T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010JTST...19..207T"><span>Al2O3-ZrO2 Finely Structured Multilayer Architectures from Suspension Plasma Spraying</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tingaud, Olivier; Montavon, Ghislain; Denoirjean, Alain; Coudert, Jean-François; Rat, Vincent; Fauchais, Pierre</p> <p>2010-01-01</p> <p>Suspension plasma spraying (SPS) is an alternative to conventional atmospheric plasma spraying (APS) aiming at manufacturing thinner layers (i.e., 10-100 μm) due to the specific size of the feedstock particles, from a few tens of nanometers to a few micrometers. The staking of lamellae and particles, which present a diameter ranging from 0.1 to 2.0 μm and an average thickness from 20 to 300 nm, permits to manufacture finely structured layers. Moreover, it appears as a versatile process able to manufacture different coating architectures according to the operating parameters (suspension properties, injection configuration, plasma properties, spray distance, torch scan velocity, scanning step, etc.). However, the different parameters controlling the properties of the coating, and their interdependences, are not yet fully identified. Thus, the aim of this paper is, on the one hand, to better understand the influence of operating parameters on the coating manufacturing mechanisms (in particular, the plasma gas mixture effect) and, on the other hand, to produce Al2O3-ZrO2 finely structured layers with large varieties of architectures. For this purpose, a simple theoretical model was used to describe the plasma torch operating conditions at the nozzle exit, based on experimental data (mass enthalpy, arc current intensity, thermophysical properties of plasma forming gases, etc.) and the influences of the spray parameters were determined by mean of the study of sizes and shapes of spray beads. The results enabled then to reach a better understanding of involved phenomena and their interactions on the final coating architectures permitting to manufacture several types of microstructures.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22490761-voltage-linearity-modulation-polarity-dependent-conduction-metal-insulator-metal-capacitors-atomic-layer-deposited-al-sub-sub-zro-sub-sio-sub-nano-stacks','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22490761-voltage-linearity-modulation-polarity-dependent-conduction-metal-insulator-metal-capacitors-atomic-layer-deposited-al-sub-sub-zro-sub-sio-sub-nano-stacks"><span></span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Zhu, Bao; Liu, Wen-Jun; Wei, Lei</p> <p></p> <p>Excellent voltage linearity of metal-insulator-metal (MIM) capacitors is highly required for next generation radio frequency integration circuits. In this work, employing atomic layer deposition technique, we demonstrated how the voltage linearity of MIM capacitors was modulated by adding different thickness of SiO{sub 2} layer to the nano-stack of Al{sub 2}O{sub 3}/ZrO{sub 2}. It was found that the quadratic voltage coefficient of capacitance (α) can be effectively reduced from 1279 to −75 ppm/V{sup 2} with increasing the thickness of SiO{sub 2} from zero to 4 nm, which is more powerful than increasing the thickness of ZrO{sub 2} in the Al{sub 2}O{sub 3}/ZrO{sub 2}more » stack. This is attributed to counteraction between the positive α for Al{sub 2}O{sub 3}/ZrO{sub 2} and the negative one for SiO{sub 2} in the MIM capacitors with Al{sub 2}O{sub 3}/ZrO{sub 2}/SiO{sub 2} stacks. Interestingly, voltage-polarity dependent conduction behaviors in the MIM capacitors were observed. For electron bottom-injection, the addition of SiO{sub 2} obviously suppressed the leakage current; however, it abnormally increased the leakage current for electron top-injection. These are ascribed to the co-existence of shallow and deep traps in ZrO{sub 2}, and the former is in favor of the field-assisted tunnelling conduction and the latter contributes to the trap-assisted tunnelling process. The above findings will be beneficial to device design and process optimization for high performance MIM capacitors.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27592198','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27592198"><span>Morphological changes of the red blood cells treated with metal oxide nanoparticles.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Kozelskaya, A I; Panin, A V; Khlusov, I A; Mokrushnikov, P V; Zaitsev, B N; Kuzmenko, D I; Vasyukov, G Yu</p> <p>2016-12-01</p> <p>The toxic effect of Al 2 O 3 , SiО 2 and ZrО 2 nanoparticles on red blood cells of Wistar rats was studied in vitro using the atomic force microscopy and the fluorescence analysis. Transformation of discocytes into echinocytes and spherocytes caused by the metal oxide nanoparticles was revealed. It was shown that only extremely high concentration of the nanoparticles (2mg/ml) allows correct estimating of their effect on the cell morphology. Besides, it was found out that the microviscosity changes of red blood cell membranes treated with nanoparticles began long before morphological modifications of the cells. On the contrary, the negatively charged ZrO 2 and SiO 2 nanoparticles did not affect ghost microviscosity up to concentrations of 1μg/ml and 0.1mg/ml, correspondingly. In its turn, the positively charged Al 2 O 3 nanoparticles induced structural changes in the lipid bilayer of the red blood cells already at a concentration of 0.05μg/ml. A decrease in microviscosity of the erythrocyte ghosts treated with Al 2 O 3 and SiO 2 nanoparticles was shown. It was detected that the interaction of ZrO 2 nanoparticles with the cells led to an increase in the membrane microviscosity and cracking of swollen erythrocytes. Copyright © 2016 Elsevier B.V. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5455268','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5455268"><span>Al2O3/ZrO2/Y3Al5O12 Composites: A High-Temperature Mechanical Characterization</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Palmero, Paola; Pulci, Giovanni; Marra, Francesco; Valente, Teodoro; Montanaro, Laura</p> <p>2015-01-01</p> <p>An Al2O3/5 vol%·ZrO2/5 vol%·Y3Al5O12 (YAG) tri-phase composite was manufactured by surface modification of an alumina powder with inorganic precursors of the second phases. The bulk materials were produced by die-pressing and pressureless sintering at 1500 °C, obtaining fully dense, homogenous samples, with ultra-fine ZrO2 and YAG grains dispersed in a sub-micronic alumina matrix. The high temperature mechanical properties were investigated by four-point bending tests up to 1500 °C, and the grain size stability was assessed by observing the microstructural evolution of the samples heat treated up to 1700 °C. Dynamic indentation measures were performed on as-sintered and heat-treated Al2O3/ZrO2/YAG samples in order to evaluate the micro-hardness and elastic modulus as a function of re-heating temperature. The high temperature bending tests highlighted a transition from brittle to plastic behavior comprised between 1350 and 1400 °C and a considerable flexural strength reduction at temperatures higher than 1400 °C; moreover, the microstructural investigations carried out on the re-heated samples showed a very limited grain growth up to 1650 °C. PMID:28787961</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19890054373&hterms=boron&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D90%26Ntt%3Dboron','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19890054373&hterms=boron&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D90%26Ntt%3Dboron"><span>Hot isostatic pressing of silicon nitride with boron nitride, boron carbide, and carbon additions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Mieskowski, Diane M.; Sanders, William A.</p> <p>1989-01-01</p> <p>Si3N4 test bars containing additions of BN, B4C, and C, were hot isostatically pressed in Ta cladding at 1900 and 2050 C to 98.9 percent to 99.5 percent theoretical density. Room-temperature strength data on specimens containing 2 wt pct BN and 0.5 wt pct C were comparable to data obtained for Si3N4 sintered with Y2O3, Y2O3 and Al2O3, or ZrO2. The 1370 C strengths were less than those obtained for additions of Y2O3 or ZrO2 but greater than those obtained from a combination of Y2O3 and Al2O3. SEM fractography indicated that, as with other types of Si3N4, room-temperature strength was controlled by processing flaws. The decrease in strength at 1370 C was typical of Si3N4 having an amorphous grain-boundary phase. The primary advantage of nonoxide additions appears to be in facilitating specimen removal from the Ta cladding.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012JPhCS.390a2031K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012JPhCS.390a2031K"><span>Preparation of magnetron sputtered ZrO2 films on Si for gate dielectric application</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kondaiah, P.; Mohan Rao, G.; Uthanna, S.</p> <p>2012-11-01</p> <p>Zirconium oxide (ZrO2) thin films were deposited on to p - Si and quartz substrates by sputtering of zirconium target at an oxygen partial pressure of 4x10-2 Pa and sputter pressure of 0.4 Pa by using DC reactive magnetron sputtering technique. The effect of annealing temperature on structural, optical, electrical and dielectric properties of the ZrO2 films was systematically studied. The as-deposited films were mixed phases of monoclinic and orthorhombic ZrO2. As the annealing temperature increased to 1073 K, the films were transformed in to single phase orthorhombic ZrO2. Fourier transform infrared studies conform the presence of interfacial layer between Si and ZrO2. The optical band gap and refractive index of the as-deposited films were 5.82 eV and 1.81. As the annealing temperature increased to 1073 K the optical band gap and refractive index increased to 5.92 eV and 2.10 respectively. The structural changes were influenced the capacitance-voltage and current-voltage characteristics of Al/ZrO2/p-Si capacitors. The dielectric constant was increased from 11.6 to 24.5 and the leakage current was decreased from 1.65×10-7 to 3.30×10-9 A/ cm2 for the as-deposited and annealed at 1073 K respectively.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JAP...122l5109T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JAP...122l5109T"><span>Nanoscale heterogeneity as remnant hexagonal-type local structures in shocked Cu-Pb and Zr</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tayal, Akhil; Conradson, Steven D.; Batuk, Olga N.; Fensin, Saryu; Cerreta, Ellen; Gray, George T.; Saxena, Avadh</p> <p>2017-09-01</p> <p>Extended X-ray absorption fine structure spectroscopy was used to determine the local structure in: (1) Zr that had undergone quasistatic elongation; (2) Zr that had undergone plastic deformation by shock at pressures above and below the ω-phase transformation; and (3) shocked Cu that contained a few percent of insoluble Pb. Below the transition pressure, Zr samples showed only general disorder as increases in the widths of the Zr-Zr pair distributions. Above this pressure, Zr that was a mixture of the original hcp and the high pressure ω-phase when measured by diffraction showed two sets of peaks in its distribution corresponding to these two phases. Some of the ones from the ω-phase were at distances substantially different from those calculated from the diffraction pattern, although they are still consistent with small domains exhibiting stacking faults associated with hexagonal-type structural components exhibiting variability in the [0001] basal plane spacing. A similar result, new pairs at just over 3 and 4 Å consistent with hexagonal-type stacking faults in addition to the original fcc structure, is found in shocked Cu despite the absence of a second diffraction pattern and peak pressures being far below those expected to induce an fcc to hcp transition. This result, therefore, demonstrates that the correlation between high strain rates and reduced stacking fault energy continues down to the length scale of atom pairs. These findings are significant as: (1) a microscopic description of the behavior of systems far from equilibrium; (2) a demonstration of the importance of strain rate at short length scales; and (3) a bridge between the abruptness of macroscopic pressure-induced phase transitions and the continuity of martensitic ones over their fluctuation region in terms of the inverse relationship between the length scale of the martensitic texture, manifested here as ordered lattice distortions and the lower pressure at which such texture first appears relative to the bulk transition pressure.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_8");'>8</a></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li class="active"><span>10</span></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_10 --> <div id="page_11" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li class="active"><span>11</span></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="201"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012PhDT.......255H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012PhDT.......255H"><span>Developpement de techniques numeriques pour l'estimation, la modelisation et la prediction de proprietes thermodynamiques et structurales de systems metalliques a fort ordonnancement chimique</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Harvey, Jean-Philippe</p> <p></p> <p>In this work, the possibility to calculate and evaluate with a high degree of precision the Gibbs energy of complex multiphase equilibria for which chemical ordering is explicitly and simultaneously considered in the thermodynamic description of solid (short range order and long range order) and liquid (short range order) metallic phases is studied. The cluster site approximation (CSA) and the cluster variation method (CVM) are implemented in a new minimization technique of the Gibbs energy of multicomponent and multiphase systems to describe the thermodynamic behaviour of metallic solid solutions showing strong chemical ordering. The modified quasichemical model in the pair approximation (MQMPA) is also implemented in the new minimization algorithm presented in this work to describe the thermodynamic behaviour of metallic liquid solutions. The constrained minimization technique implemented in this work consists of a sequential quadratic programming technique based on an exact Newton’s method (i.e. the use of exact second derivatives in the determination of the Hessian of the objective function) combined to a line search method to identify a direction of sufficient decrease of the merit function. The implementation of a new algorithm to perform the constrained minimization of the Gibbs energy is justified by the difficulty to identify, in specific cases, the correct multiphase assemblage of a system where the thermodynamic behaviour of the equilibrium phases is described by one of the previously quoted models using the FactSage software (ex.: solid_CSA+liquid_MQMPA; solid1_CSA+solid2_CSA). After a rigorous validation of the constrained Gibbs energy minimization algorithm using several assessed binary and ternary systems found in the literature, the CVM and the CSA models used to describe the energetic behaviour of metallic solid solutions present in systems with key industrial applications such as the Cu-Zr and the Al-Zr systems are parameterized using fully consistent thermodynamic an structural data generated from a Monte Carlo (MC) simulator also implemented in the framework of this project. In this MC simulator, the modified embedded atom model in the second nearest neighbour formalism (MEAM-2NN) is used to describe the cohesive energy of each studied structure. A new Al-Zr MEAM-2NN interatomic potential needed to evaluate the cohesive energy of the condensed phases of this system is presented in this work. The thermodynamic integration (TI) method implemented in the MC simulator allows the evaluation of the absolute Gibbs energy of the considered solid or liquid structures. The original implementation of the TI method allowed us to evaluate theoretically for the first time all the thermodynamic mixing contributions (i.e., mixing enthalpy and mixing entropy contributions) of a metallic liquid (Cu-Zr and Al-Zr) and of a solid solution (face-centered cubic (FCC) Al-Zr solid solution) described by the MEAM-2NN. Thermodynamic and structural data obtained from MC and molecular dynamic simulations are then used to parameterize the CVM for the Al-Zr FCC solid solution and the MQMPA for the Al-Zr and the Cu-Zr liquid phase respectively. The extended thermodynamic study of these systems allow the introduction of a new type of configuration-dependent excess parameters in the definition of the thermodynamic function of solid solutions described by the CVM or the CSA. These parameters greatly improve the precision of these thermodynamic models based on experimental evidences found in the literature. A new parameterization approach of the MQMPA model of metallic liquid solutions is presented throughout this work. In this new approach, calculated pair fractions obtained from MC/MD simulations are taken into account as well as configuration-independent volumetric relaxation effects (regular like excess parameters) in order to parameterize precisely the Gibbs energy function of metallic melts. The generation of a complete set of fully consistent thermodynamic, physical and structural data for solid, liquid, and stoichiometric compounds and the subsequent parameterization of their respective thermodynamic model lead to the first description of the complete Al-Zr phase diagram in the range of composition [0 ≤ XZr ≤ 5 / 9] based on theoretical and fully consistent thermodynamic properties. MC and MD simulations are performed for the Al-Zr system to define for the first time the precise thermodynamic behaviour of the amorphous phase for its entire range of composition. Finally, all the thermodynamic models for the liquid phase, the FCC solid solution and the amorphous phase are used to define conditions based on thermodynamic and volumetric considerations that favor the amorphization of Al-Zr alloys.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JTST...26.1076C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JTST...26.1076C"><span>Air Plasma-Sprayed La2Zr2O7-SrZrO3 Composite Thermal Barrier Coating Subjected to CaO-MgO-Al2O3-SiO2 (CMAS)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Cai, Lili; Ma, Wen; Ma, Bole; Guo, Feng; Chen, Weidong; Dong, Hongying; Shuang, Yingchai</p> <p>2017-08-01</p> <p>La2Zr2O7-SrZrO3 composite thermal barrier coatings (TBCs) were prepared by air plasma spray (APS). The La2Zr2O7-SrZrO3 composite TBCs covered with calcium-magnesium-aluminum-silicate (CMAS) powder, as well as the powder mixture of CMAS and spray-dried La2Zr2O7-SrZrO3 composite powder, were heat-treated at 1250 °C in air for 1, 4, 8, and 12 h. The phase constituents and microstructures of the reaction products were characterized by x-ray diffraction, scanning electron microscopy, and energy-dispersive spectroscopy. Experimental results showed that the La2Zr2O7-SrZrO3 composite TBCs had higher CMAS resistance than 8YSZ coating. A dense new layer developed between CMAS and La2Zr2O7-SrZrO3 composite TBCs during interaction, and this new layer consisted mostly of apatite (Ca2La8(SiO4)6O2) and c-ZrO2. The newly developed layer effectively protected the La2Zr2O7-SrZrO3 composite TBCs from further CMAS attack.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19720004817','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19720004817"><span>Relative susceptibility of titanium alloys to hot-salt stress-corrosion</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Gray, H. R.</p> <p>1971-01-01</p> <p>Susceptibility of titanium alloys to hot-salt stress-corrosion cracking increased as follows: Ti-2Al-11Sn-5Zr-0.2Si(679), Ti-6Al-2Sn-4Zr-2Mo(6242), Ti-6Al-4V(64), Ti-6Al-4V-3Co(643), Ti-8Al-1Mo-1V(811), and Ti-13V-11Cr-3A1(13-11-3). The Ti-5Al-6Sn-2Zr-1Mo-0.25Si(5621S) alloy was both the least and most susceptible depending on heat treatment. Such rankings can be drastically altered by heat-to-heat and processing variations. Residual compressive stresses and cyclic exposures also reduce susceptibility to stress-corrosion. Simulated turbine-engine compressor environmental variables such as air velocity, pressure, dewpoint, salt concentration, and salt deposition temperature have only minor effects. Detection of substantial concentrations of hydrogen in all corroded alloys confirmed the existence of a hydrogen embrittlement mechanism.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25837339','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25837339"><span>Fracture toughness of esthetic dental coating systems by nanoindentation and FIB sectional analysis.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Pecnik, Christina Martina; Courty, Diana; Muff, Daniel; Spolenak, Ralph</p> <p>2015-07-01</p> <p>Improving the esthetics of Ti-based dental implants is the last challenge remaining in the optimization process. The optical issues were recently solved by the application of highly and selectively reflective coatings on Ti implants. This work focuses on the mechanical durability of these esthetic ceramic based coating systems (with and without adhesion layers). The coating systems (Ti-ZrO2, Ti-Al-ZrO2, Ti-Ti-Al-ZrO2, Ti-Ag-ZrO2, Ti-Ti-Ag-ZrO2, Ti-Bragg and Ti-TiO2-Bragg) were subjected to nanoindentation experiments and examined using scanning electron microscopy and focused ion beam cross sectional analysis. Three coating systems contained adhesion layers (10nm of Ti or 60nm of TiO2 layers). The fracture toughness of selected samples was assessed applying two different models from literature, a classical for bulk materials and an energy-based model, which was further developed and adjusted. The ZrO2 based coating systems (total film thickness<200nm) followed a circumferential cracking behavior in contrast to Bragg coated samples (total film thickness around 1.5μm), which showed radial cracking emanating from the indent corners. For Ti-ZrO2 samples, a fracture toughness between 2.70 and 3.70MPam(1/2) was calculated using an energy-based model. The classical model was applied to Bragg coated samples and their fracture toughness ranged between 0.70 and 0.80MPam(1/2). Furthermore, coating systems containing an additional layer (Ti-Ti-Al-ZrO2, Ti-Ti-Ag-ZrO2 and Ti-TiO2-Bragg) showed an improved adhesion between the substrate and the coating. The addition of a Ti or TiO2 layer improved the adhesion between substrate and coating. The validity of the models for the assessment of the fracture toughness depended on the layer structure and fracture profile of the samples investigated here (classical model for thick coatings and energy-based model for thin coatings). Copyright © 2015 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4836877','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4836877"><span>Structural and Electrochemical Consequences of Al and Ga Cosubstitution in Li7La3Zr2O12 Solid Electrolytes</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p></p> <p>2016-01-01</p> <p>Several “Beyond Li-Ion Battery” concepts such as all solid-state batteries and hybrid liquid/solid systems envision the use of a solid electrolyte to protect Li-metal anodes. These configurations are very attractive due to the possibility of exceptionally high energy densities and high (dis)charge rates, but they are far from being realized practically due to a number of issues including high interfacial resistance and difficulties associated with fabrication. One of the most promising solid electrolyte systems for these applications is Al or Ga stabilized Li7La3Zr2O12 (LLZO) based on high ionic conductivities and apparent stability against reduction by Li metal. Nevertheless, the fabrication of dense LLZO membranes with high ionic conductivity and low interfacial resistances remains challenging; it definitely requires a better understanding of the structural and electrochemical properties. In this study, the phase transition from garnet (Ia3̅d, No. 230) to “non-garnet” (I4̅3d, No. 220) space group as a function of composition and the different sintering behavior of Ga and Al stabilized LLZO are identified as important factors in determining the electrochemical properties. The phase transition was located at an Al:Ga substitution ratio of 0.05:0.15 and is accompanied by a significant lowering of the activation energy for Li-ion transport to 0.26 eV. The phase transition combined with microstructural changes concomitant with an increase of the Ga/Al ratio continuously improves the Li-ion conductivity from 2.6 × 10–4 S cm–1 to 1.2 × 10–3 S cm–1, which is close to the calculated maximum for garnet-type materials. The increase in Ga content is also associated with better densification and smaller grains and is accompanied by a change in the area specific resistance (ASR) from 78 to 24 Ω cm2, the lowest reported value for LLZO so far. These results illustrate that understanding the structure–properties relationships in this class of materials allows practical obstacles to its utilization to be readily overcome. PMID:27110064</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/870941','DOE-PATENT-XML'); return false;" href="https://www.osti.gov/servlets/purl/870941"><span>Hydridable material for the negative electrode in a nickel-metal hydride storage battery</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/doepatents">DOEpatents</a></p> <p>Knosp, Bernard; Bouet, Jacques; Jordy, Christian; Mimoun, Michel; Gicquel, Daniel</p> <p>1997-01-01</p> <p>A monophase hydridable material for the negative electrode of a nickel-metal hydride storage battery with a "Lave's phase" structure of hexagonal C14 type (MgZn.sub.2) has the general formula: Zr.sub.1-x Ti.sub.x Ni.sub.a Mn.sub.b Al.sub.c Co.sub.d V.sub.e where ##EQU1##</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22390406-obtaining-composite-zr-al-coating-surface-zirconium-microplasma-oxidation','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22390406-obtaining-composite-zr-al-coating-surface-zirconium-microplasma-oxidation"><span>Obtaining composite Zr-Al-O coating on the surface of zirconium by microplasma oxidation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Gubaidulina, Tatiana A., E-mail: goub2002@mail.ru, E-mail: ostk@mail2000ru; Kuzmin, Oleg S., E-mail: goub2002@mail.ru, E-mail: ostk@mail2000ru; Fedorischva, Marina V., E-mail: fmw@ispms.tsc.ru, E-mail: kmp1980@mail.ru</p> <p>2014-11-14</p> <p>The paper describes the application of the microplasma oxidation for production of Zr-Al-O composition on the surface of zirconium. Certification of a new-type power supply for depositing oxide ceramic coatings by microplasma oxidation was also carried out. The growth rate of Zr-Al-O coating amounted around 0.2 nm/s, which around 10 times exceeds that for depositing similar coatings using the similar equipment. We have studied the change of surface morphology and the chemical composition of the formed ceramic coating by means of EVO 50 scanning electron microscope and X-ray spectral analysis.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016PhRvB..94g5203F','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016PhRvB..94g5203F"><span>Ternary semiconductors NiZrSn and CoZrBi with half-Heusler structure: A first-principles study</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Fiedler, Gregor; Kratzer, Peter</p> <p>2016-08-01</p> <p>The ternary semiconductors NiZrSn and CoZrBi with C 1b crystal structure are introduced by calculating their basic structural, electronic, and phononic properties using density functional theory. Both the gradient-corrected PBE functional and the hybrid functional HSE06 are employed. While NiZrSn is found to be a small-band-gap semiconductor (Eg=0.46 eV in PBE and 0.60 eV in HSE06), CoZrBi has a band gap of 1.01 eV in PBE (1.34 eV in HSE06). Moreover, effective masses and deformation potentials are reported. In both materials A B C , the intrinsic point defects introduced by species A (Ni or Co) are calculated. The Co-induced defects in CoZrBi are found to have a higher formation energy compared to Ni-induced defects in NiZrSn. The interstitial Ni atom (Nii) as well as the VNiNii complex introduce defect states in the band gap, whereas the Ni vacancy (VNi) only reduces the size of the band gap. While Nii is electrically active and may act as a donor, the other two types of defects may compensate extrinsic doping. In CoZrBi, only the VCoCoi complex introduces a defect state in the band gap. Motivated by the reported use of NiZrSn for thermoelectric applications, the Seebeck coefficient of both materials, both in the p -type and the n -type regimes, is calculated. We find that CoZrBi displays a rather large thermopower of up to 500 μ V /K when p doped, whereas NiZrSn possesses its maximum thermopower in the n -type regime. The reported difficulties in achieving p -type doping in NiZrSn could be rationalized by the unintended formation of Nii2 + in conjunction with extrinsic acceptors, resulting in their compensation. Moreover, it is found that all types of defects considered, when present in concentrations as large as 3%, tend to reduce the thermopower compared to ideal bulk crystals at T =600 K. For NiZrSn, the calculated thermodynamic data suggest that additional Ni impurities could be removed by annealing, leading to precipitation of a metallic Ni2ZrSn phase.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JChPh.148l4707S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JChPh.148l4707S"><span>Electronic structure of ZrX2 (X = Se, Te)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Shkvarin, A. S.; Merentsov, A. I.; Shkvarina, E. G.; Yarmoshenko, Yu. M.; Píš, I.; Nappini, S.; Titov, A. N.</p> <p>2018-03-01</p> <p>The electronic structure of the ZrX2 (X = Se, Te) compounds has been studied using photoelectron, resonant photoelectron and X-ray absorption spectroscopy, theoretical calculations of the X-ray absorption spectra, and density of electronic states. It was found that the absorption spectra and valence band spectra are influenced by the chalcogen type. The results of the multiplet calculation of the Zr4+ atom show that the change in the splitting in the crystal field, which is described by the 10Dq parameter, is due to the change in the ratio of covalent and ionic contributions to the chemical bond. The resonance band near the Fermi level in the valence band spectra is observed for ZrTe2 in the Zr 3p-4d resonant excitation mode. The extent of photon energy indicates the charge localization on the Zr atom. Similar resonance band for ZrSe2 is absent; it indicates the presence of a gap at the Fermi level.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015ApSS..345...99O','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015ApSS..345...99O"><span>Improving the tribocorrosion resistance of Ti6Al4V surface by laser surface cladding with TiNiZrO2 composite coating</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Obadele, Babatunde Abiodun; Andrews, Anthony; Mathew, Mathew T.; Olubambi, Peter Apata; Pityana, Sisa</p> <p>2015-08-01</p> <p>Ti6Al4V alloy was laser cladded with titanium, nickel and zirconia powders in different ratio using a 2 kW CW ytterbium laser system (YLS). The microstructures of the cladded layers were examined using field emission scanning electron microscopy (FESEM) equipped with energy dispersive X-ray spectroscopy (EDS) and X-ray diffractometry (XRD). Corrosion and tribocorrosion tests were performed on the cladded surface in 1 M H2SO4 solution. The microstructure revealed the transformation from a dense dendritic structure in TiNi coating to a flower-like structure observed in TiNiZrO2 cladded layers. There was a significant increase in surface microindentation hardness values of the cladded layers due to the present of hard phase ZrO2 particles. The results obtained show that addition of ZrO2 improves the corrosion resistance property of TiNi coating but decrease the tribocorrosion resistance property. The surface hardening effect induced by ZrO2 addition, combination of high hardness of Ti2Ni phase could be responsible for the mechanical degradation and chemical wear under sliding conditions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA248985','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA248985"><span>Tribology of Ceramics</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>1988-01-01</p> <p>Surface crystallography must be studied as modified by friction. Toughening and embrittling phase transformations have been discovered and modify the...2) dispersed ceramic whiskers, (3) long fiber rein- forcement, (4) precipitation , and (5) ductile metal phase . Each of these results in a...structure. Metastable structures of certain ceramics (Kingery et al., 1976) such as ZrO 2 allow a martensitic transformation under stress, which confers</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JAP...122m4102Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JAP...122m4102Y"><span>Electric-field control of electronic transport properties and enhanced magnetoresistance in La0.7Sr0.3MnO3/0.5BaZr0.2Ti0.8O3-0.5Ba0.7Ca0.3TiO3 lead-free multiferroic structures</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yan, Jian-Min; Gao, Guan-Yin; Liu, Yu-Kuai; Wang, Fei-Fei; Zheng, Ren-Kui</p> <p>2017-10-01</p> <p>We report the fabrication of lead-free multiferroic structures by depositing ferromagnetic La0.7Sr0.3MnO3 (LSMO) polycrystalline films on polished 0.5BaZr0.2Ti0.8O3-0.5Ba0.7Ca0.3TiO3 (BZT-BCT) piezoelectric ceramic substrates. By applying electric fields to the BZT-BCT along the thickness direction, the resistivity of LSMO films can be effectively manipulated via the piezoelectric strain of the BZT-BCT. Moreover, the LSMO polycrystalline films exhibit almost temperature independent and significantly enhanced magnetoresistance (MR) below TC. At T = 2 K and H = 8 T, the MR of polycrystalline films is approximately two orders of magnitude higher than that of LSMO epitaxial films grown on (LaAlO3)0.3(SrAl1/2Ta1/2O3)0.7 single-crystal substrates. The enhanced MR mainly results from the spin-polarized tunneling of charge carriers across grain boundaries. The LSMO/BZT-BCT structures with electric-field controllable modulation of resistivity and enhanced MR effect may have potential applications in low-energy consumption and environmentally friendly electronic devices.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19920055959&hterms=metal+matrix&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D90%26Ntt%3Dmetal%2Bmatrix','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19920055959&hterms=metal+matrix&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D90%26Ntt%3Dmetal%2Bmatrix"><span>Effectiveness of metal matrix and ceramic matrix composites as orbital debris shield materials</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Mcgill, Preston B.; Mount, Angela R.</p> <p>1992-01-01</p> <p>The effectiveness of two metal matrix composites and one ceramic matrix material in defeating hypervelocity impacts at about 3.8 km/s are evaluated to determine the potential of these composites as spacecraft shield materials. The metal matrix composites investigated consist of SiC particles (70 percent by volume) in an aluminum matrix and Al2O3 particles (50 percent by volume) in an Al matrix. The ceramic composite consists of ZrB2 platelets in a ZrC matrix. Both the metal matrix and ceramic matrix composites are found to perform as well or better than 6061-T6 aluminum, which is presently used in the Whipple type bumper shield of Space Station Freedom. Test results indicate that the composites tested may have applications as micrometeoroid/orbital debris shield materials.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017ApSS..420..935K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017ApSS..420..935K"><span>Studies on corrosion resistance and bio-activity of plasma spray deposited hydroxylapatite (HA) based TiO2 and ZrO2 dispersed composite coatings on titanium alloy (Ti-6Al-4V) and the same after post spray heat treatment</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kumari, Renu; Majumdar, Jyotsna Dutta</p> <p>2017-10-01</p> <p>In the present study, the effect of plasma spray deposited hydroxylapatite (HA) based TiO2 dispersed (HA + 50 wt.% TiO2), coating and post spray heat treatment to be referred as HA-TiO2 (heat treated at 650 °C for 2 h) and ZrO2 dispersed (HA + 10 wt.% ZrO2), to be referred as HA-ZrO2 coating (heat treated at 750 °C for 2 h) on corrosion resistance and bioactivity of Ti-6Al-4V substrate has been undertaken. There is partial decomposition of HA to tri-calcium-phosphate (Ca3(PO4)2) and formation of CaTiO3 phase in HA-TiO2 coating and CaZrO3 phase in the HA-ZrO2 coating. Corrosion study in Hank's solution shows that there is shifting of corrosion potential (Ecorr) towards active potential (-1.1 V(SCE) for as-sprayed and post spray heat treated HA-TiO2 coating, -1.1 V(SCE) for as-sprayed HA-ZrO2 coating and -1 V(SCE) for HA-ZO2 coating after post spray heat treatment), and deterioration in pitting corrosion (Epit) resistance in as-sprayed coatings and the same after heat treatment (-0.7 V(SCE) for both HA-TiO2 and HA-ZrO2 coating as compared to as received substrate (-0.3 V(SCE)). The corrosion rate was increased for both the coatings with a maximum increase in HA-ZrO2 coating. Bioactivity test shows a higher degree of apatite deposition in as-sprayed coating and the same after heat treatment as compared to as received Ti-6Al-4V though the as-sprayed one showed a superior behavior.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018FrPhy..13.8103Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018FrPhy..13.8103Y"><span>Interfacial properties of black phosphorus/transition metal carbide van der Waals heterostructures</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yuan, Hao; Li, Zhenyu</p> <p>2018-06-01</p> <p>Owing to its outstanding electronic properties, black phosphorus (BP) is considered as a promising material for next-generation optoelectronic devices. In this work, devices based on BP/MXene (Zr n+1C n T2, T = O, F, OH, n = 1, 2) van der Waals (vdW) heterostructures are designed via first-principles calculations. Zr n+1C n T2 compositions with appropriate work functions lead to the formation of Ohmic contact with BP in the vertical direction. Low Schottky barriers are found along the lateral direction in BP/Zr2CF2, BP/Zr2CO2H2, BP/Zr3C2F2, and BP/Zr3C2O2H2 bilayers, and BP/Zr3C2O2 even exhibits Ohmic contact behavior. BP/Zr2CO2 is a semiconducting heterostructure with type-II band alignment, which facilitates the separation of electron-hole pairs. The band structure of BP/Zr2CO2 can be effectively tuned via a perpendicular electric field, and BP is predicted to undergo a transition from donor to acceptor at a 0.4 V/Å electric field. The versatile electronic properties of the BP/MXene heterostructures examined in this work highlight their promising potential for applications in electronics.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28152443','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28152443"><span>Diamond-like carbon coatings with zirconium-containing interlayers for orthopedic implants.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Choudhury, Dipankar; Lackner, Juergen; Fleming, Robert A; Goss, Josh; Chen, Jingyi; Zou, Min</p> <p>2017-04-01</p> <p>Six types of diamond-like carbon (DLC) coatings with zirconium (Zr)-containing interlayers on titanium alloy (Ti-6Al-4V) were investigated for improving the biotribological performance of orthopedic implants. The coatings consist of three layers: above the substrate a layer stack of 32 alternating Zr and ZrN sublayers (Zr:ZrN), followed by a layer comprised of Zr and DLC (Zr:DLC), and finally a N-doped DLC layer. The Zr:ZrN layer is designed for increasing load carrying capacity and corrosion resistance; the Zr:DLC layer is for gradual transition of stress, thus enhancing layer adhesion; and the N-doped DLC layer is for decreasing friction, squeaking noises and wear. Biotribological experiments were performed in simulated body fluid employing a ball-on-disc contact with a Si 3 N 4 ball and a rotational oscillating motion to mimic hip motion in terms of gait angle, dynamic contact pressures, speed and body temperature. The results showed that the Zr:DLC layer has a substantial influence on eliminating delamination of the DLC from the substrates. The DLC/Si 3 N 4 pairs significantly reduced friction coefficient, squeaking noise and wear of both the Si 3 N 4 balls and the discs compared to those of the Ti-6Al-4V/Si 3 N 4 pair after testing for a duration that is equivalent to one year of hip motion in vivo. Copyright © 2017 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012SSSci..14..828B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012SSSci..14..828B"><span>X-ray photoelectron spectroscopy as detection tool for coordinated or uncoordinated fluorine atoms demonstrated on fluoride systems NaF, K2TaF7, K3TaF8, K2ZrF6, Na7Zr6F31 and K3ZrF7</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Boča, Miroslav; Barborík, Peter; Mičušík, Matej; Omastová, Mária</p> <p>2012-07-01</p> <p>While systems K3TaF8 and K3ZrF7 were prepared by modified molten salt method modified wet pathway was used for reproducible preparation of Na7Zr6F31. Its congruently melting character was demonstrated on simultaneous TG/DSC measurements and XRD patterns. X-ray photoelectron spectroscopy was applied for identification of differently bonded fluorine atoms in series of compounds NaF, K2TaF7, K3TaF8, K2ZrF6, Na7Zr6F31 and K3ZrF7. Three different types of fluorine atoms were described qualitatively and quantitatively. Uncoordinated fluorine atoms (F-) provide signals at lowest binding energies, followed by signals from terminally coordinated fluorine atoms (M-F) and then bridging fluorine atoms (M-F-M) at highest energy. Based on XPS F 1s signals assigned to fluorine atoms in compounds with correctly determined structure it was suggested that fluorine atoms in K3ZrF7 have partially bridging character.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018PhRvM...2e5003Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018PhRvM...2e5003Z"><span>Reversible and nonvolatile ferroelectric control of two-dimensional electronic transport properties of ZrCuSiAs-type copper oxyselenide thin films with a layered structure</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zhao, Xu-Wen; Gao, Guan-Yin; Yan, Jian-Min; Chen, Lei; Xu, Meng; Zhao, Wei-Yao; Xu, Zhi-Xue; Guo, Lei; Liu, Yu-Kuai; Li, Xiao-Guang; Wang, Yu; Zheng, Ren-Kui</p> <p>2018-05-01</p> <p>Copper-based ZrCuSiAs-type compounds of LnCuChO (Ln =Bi and lanthanides, Ch =S , Se, Te) with a layered crystal structure continuously attract worldwide attention in recent years. Although their high-temperature (T ≥ 300 K) electrical properties have been intensively studied, their low-temperature electronic transport properties are little known. In this paper, we report the integration of ZrCuSiAs-type copper oxyselenide thin films of B i0.94P b0.06CuSeO (BPCSO) with perovskite-type ferroelectric Pb (M g1 /3N b2 /3 ) O3-PbTi O3 (PMN-PT) single crystals in the form of ferroelectric field effect devices that allow us to control the electronic properties (e.g., carrier density, magnetoconductance, dephasing length, etc.) of BPCSO films in a reversible and nonvolatile manner by polarization switching at room temperature. Combining ferroelectric gating and magnetotransport measurements with the Hikami-Larkin-Nagaoka theory, we demonstrate two-dimensional (2D) electronic transport characteristics and weak antilocalization effect as well as strong carrier-density-mediated competition between weak antilocalization and weak localization in BPCSO films. Our results show that ferroelectric gating using PMN-PT provides an effective and convenient approach to probe the carrier-density-related 2D electronic transport properties of ZrCuSiAs-type copper oxyselenide thin films.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22285058-brazing-zro-sub-ceramic-ti6al4v-alloy-using-nicrsib-amorphous-filler-foil-interfacial-microstructure-joint-properties','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22285058-brazing-zro-sub-ceramic-ti6al4v-alloy-using-nicrsib-amorphous-filler-foil-interfacial-microstructure-joint-properties"><span></span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Cao, J., E-mail: cao_jian@hit.edu.cn; State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001; Song, X.G., E-mail: song_xiaoguohit@yahoo.com.cn</p> <p></p> <p>Reliable brazing of ZrO{sub 2} ceramic and Ti–6Al–4V alloy was achieved using NiCrSiB amorphous filler foil. The interfacial microstructure of ZrO{sub 2}/Ti–6Al–4V joints was characterized by scanning electron microscope, energy dispersive spectrometer and micro-focused X-ray diffractometer. The effects of brazing temperature on the interfacial microstructure and joining properties of brazed joints were investigated in detail. Active Ti of Ti–6Al–4V alloy dissolved into molten filler metal and reacted with ZrO{sub 2} ceramic to form a continuous TiO reaction layer, which played an important role in brazing. Various reaction phases including Ti{sub 2}Ni, Ti{sub 5}Si{sub 3} and β-Ti were formed in brazedmore » joints. With an increasing of brazing temperature, the TiO layer thickened gradually while the Ti{sub 2}Ni amount reduced. Shear test indicated that brazed joints tend to fracture at the interface between ZrO{sub 2} ceramic and brazing seam or Ti{sub 2}Ni intermetallic layer. The maximum average shear strength reached 284.6 MPa when brazed at 1025 °C for 10 min. - Graphical Abstract: Interfacial microstructure of ZrO{sub 2}/TC4 joint brazed using NiCrSiB amorphous filler foil was: ZrO{sub 2}/TiO/Ti{sub 2}Ni + β-Ti + Ti{sub 5}Si{sub 3}/β-Ti/Widmanstätten structure/TC4. - Highlights: • Brazing of ZrO{sub 2} ceramic and Ti-6Al-4V alloy was achieved. • Interfacial microstructure was TiO/Ti{sub 2}Ni + β + Ti{sub 5}Si{sub 3}/β/Widmanstätten structure. • The formation of TiO produced the darkening effect of ZrO{sub 2} ceramic. • The highest joining strength of 284.6MPa was obtained.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20060009296','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20060009296"><span>Observations of a Cast Cu-Cr-Zr Alloy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Ellis, David L.</p> <p>2006-01-01</p> <p>Prior work has demonstrated that Cu-Cr-Nb alloys have considerable advantages over the copper alloys currently used in regeneratively cooled rocket engine liners. Observations indicated that Zr and Nb have similar chemical properties and form very similar compounds. Glazov and Zakharov et al. reported the presence of Cr2Zr in Cu-Cr-Zr alloys with up to 3.5 wt% Cr and Zr though Zeng et al. calculated that Cr2Zr could not exist in a ternary Cu-Cr-Zr alloy. A cast Cu-6.15 wt% Cr-5.25 wt% Zr alloy was examined to determine if the microstructure developed would be similar to GRCop-84 (Cu-6.65 wt% Cr-5.85 wt% Nb). It was observed that the Cu-Cr-Zr system did not form any Cr2Zr even after a thermal exposure at 875 C for 176.5 h. Instead the alloy consisted of three phases: Cu, Cu5Zr, and Cr.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_9");'>9</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li class="active"><span>11</span></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_11 --> <div id="page_12" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li class="active"><span>12</span></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="221"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19850008389','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19850008389"><span>Transformation toughened ceramics for the heavy duty diesel engine technology program</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Musikant, S.; Feingold, E.; Rauch, H.; Samanta, S.</p> <p>1984-01-01</p> <p>The objective of this program is to develop an advanced high temperature oxide structural ceramic for application to the heavy duty diesel engine. The approach is to employ transformation toughening by additions of ZrO.5HfO.5O2 solid solution to the oxide ceramics, mullite (2Al2O3S2SiO2) and alumina (Al2O3). The study is planned for three phases, each 12 months in duration. This report covers Phase 1. During this period, processing techniques were developed to incorporate the ZrO.5HfO.5O2 solid solution in the matrices while retaining the necessary metastable tetragonal phase. Modulus of rupture and of elasticity, coefficient of thermal expansion, fracture toughness by indent technique and thermal diffusivity of representative specimens were measured. In Phase 2, the process will be improved to provide higher mechanical strength and to define the techniques for scale up to component size. In Phase 3, full scale component prototypes will be fabri-]cated.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5503073','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5503073"><span>Effects of Laser Power Level on Microstructural Properties and Phase Composition of Laser-Clad Fluorapatite/Zirconia Composite Coatings on Ti6Al4V Substrates</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Chien, Chi-Sheng; Liu, Cheng-Wei; Kuo, Tsung-Yuan</p> <p>2016-01-01</p> <p>Hydroxyapatite (HA) is one of the most commonly used materials for the coating of bioceramic titanium (Ti) alloys. However, HA has poor mechanical properties and a low bonding strength. Accordingly, the present study replaces HA with a composite coating material consisting of fluorapatite (FA) and 20 wt % yttria (3 mol %) stabilized zirconia (ZrO2, 3Y-TZP). The FA/ZrO2 coatings are deposited on Ti6Al4V substrates using a Nd:YAG laser cladding system with laser powers and travel speeds of 400 W/200 mm/min, 800 W/400 mm/min, and 1200 W/600 mm/min, respectively. The experimental results show that a significant inter-diffusion of the alloying elements occurs between the coating layer (CL) and the transition layer (TL). Consequently, a strong metallurgical bond is formed between them. During the cladding process, the ZrO2 is completely decomposed, while the FA is partially decomposed. As a result, the CLs of all the specimens consist mainly of FA, Ca4(PO4)2O (TTCP), CaF2, CaZrO3, CaTiO3 and monoclinic phase ZrO2 (m-ZrO2), together with a small amount of θ-Al2O3. As the laser power is increased, CaO, CaCO3 and trace amounts of tetragonal phase ZrO2 (t-ZrO2) also appear. As the laser power increases from 400 to 800 W, the CL hardness also increases as a result of microstructural refinement and densification. However, at the highest laser power of 1200 W, the CL hardness reduces significantly due to the formation of large amounts of relatively soft CaO and CaCO3 phase. PMID:28773503</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19840003185','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19840003185"><span>Low-Temperature Forming of Beta Titanium Alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Kaneko, R. S.; Woods, C. A.</p> <p>1983-01-01</p> <p>Low cost methods for titanium structural fabrication using advanced cold-formable beta alloys were investigated for application in a Mach 2.7 supersonic cruise vehicle. This work focuses on improving processing and structural efficiencies as compared with standard hot formed and riveted construction of alpha-beta alloy sheet structure. Mechanical property data and manufacturing parameters were developed for cold forming, brazing, welding, and processing Ti-15V-3Cr-3Sn-3Al sheet, and Ti-3Al-8V-6Cr-4Zr on a more limited basis. Cost and structural benefits were assessed through the fabrication and evaluation of large structural panels. The feasibility of increasing structural efficiency of beta titanium structure by selective reinforcement with metal matrix composite was also explored.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19730019858','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19730019858"><span>Thermophysical properties of plasma sprayed coatings</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Wilkes, K. E.; Lagedrost, J. F.</p> <p>1973-01-01</p> <p>Thermophysical properties of plasma sprayed materials were determined for the following plasma sprayed materials: CaO - stabilized ZrO2, Y2O3 - stabilized ZerO2, Al2O3, HfO2 Mo, nichrome, NiAl, Mo-ZrO2, and MoAl2O3 mixtures. In all cases the thermal conductivity of the as-sprayed materials was found to be considerably lower than that of the bulk material. The flash-laser thermal diffusivity technique was used both for diffusivity determination of single-layer materials and to determine the thermal contact resistance at the interface of two-layer specimens.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19870018356','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19870018356"><span>Advanced powder metallurgy aluminum alloys via rapid solidification technology, phase 2</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Ray, Ranjan; Jha, Sunil C.</p> <p>1987-01-01</p> <p>Marko's rapid solidification technology was applied to processing high strength aluminum alloys. Four classes of alloys, namely, Al-Li based (class 1), 2124 type (class 2), high temperature Al-Fe-Mo (class 3), and PM X7091 type (class 4) alloy, were produced as melt-spun ribbons. The ribbons were pulverized, cold compacted, hot-degassed, and consolidated through single or double stage extrusion. The mechanical properties of all four classes of alloys were measured at room and elevated temperatures and their microstructures were investigated optically and through electron microscopy. The microstructure of class 1 Al-Li-Mg alloy was predominantly unrecrystallized due to Zr addition. Yield strengths to the order of 50 Ksi were obtained, but tensile elongation in most cases remained below 2 percent. The class 2 alloys were modified composition of 2124 aluminum alloy, through addition of 0.6 weight percent Zr and 1 weight percent Ni. Nickel addition gave rise to a fine dispersion of intermetallic particles resisting coarsening during elevated temperature exposure. The class 2 alloy showed good combination of tensile strength and ductility and retained high strength after 1000 hour exposure at 177 C. The class 3 Al-Fe-Mo alloy showed high strength and good ductility both at room and high temperatures. The yield and tensile strength of class 4 alloy exceeded those of the commercial 7075 aluminum alloy.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017NRL....12..125D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017NRL....12..125D"><span>The Peculiarities of Structure Formation and Properties of Zirconia-Based Nanocomposites with Addition of Al2O3 and NiO</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Danilenko, I.; Lasko, G.; Brykhanova, I.; Burkhovetski, V.; Ahkhozov, L.</p> <p>2017-02-01</p> <p>The present study is devoted to the problem of enhancing fracture toughness of ZrO2 ceramic materials through the formation of composite structure by addition of Al2O3 and NiO particles. In this paper, we analyzed the general and distinguished features of microstructure of both composite materials and its effect on fracture toughness of materials. In this paper, we used the XRD, SEM, and EDS methods for determination of granulometric, phase, and chemical composition of sintered materials. The peculiarities of dependence of fracture toughness values from dopant concentration and changing the Y3+ amount in zirconia grains allow us to assume that at least two mechanisms can affect the fracture toughness of ZrO2 ceramics. Crack bridging/deflection processes with the "transformation toughening" affect the K1C values depending on the dopant concentration. Crack deflection mechanism affects the K1C values when the dopant concentrations are low, and transformation toughening affects the K1C values when the dopant concentrations begin to have an impact on microstructure reorganization-redistribution of Y3+ ions and formation of Y3+-depleted grains with high ability to phase transformation.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22489618-investigating-atomic-level-influencing-factors-glass-forming-ability-nial-cuzr-metallic-glasses','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22489618-investigating-atomic-level-influencing-factors-glass-forming-ability-nial-cuzr-metallic-glasses"><span>Investigating the atomic level influencing factors of glass forming ability in NiAl and CuZr metallic glasses</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Sedighi, Sina; Kirk, Donald Walter; Singh, Chandra Veer, E-mail: chandraveer.singh@utoronto.ca</p> <p>2015-09-21</p> <p>Bulk metallic glasses are a relatively new class of amorphous metal alloy which possess unique mechanical and magnetic properties. The specific concentrations and combinations of alloy elements needed to prevent crystallization during melt quenching remains poorly understood. A correlation between atomic properties that can explain some of the previously identified glass forming ability (GFA) anomalies of the NiAl and CuZr systems has been identified, with these findings likely extensible to other transition metal–transition metal and transition metal–metalloid (TM–M) alloy classes as a whole. In this work, molecular dynamics simulation methods are utilized to study thermodynamic, kinetic, and structural properties ofmore » equiatomic CuZr and NiAl metallic glasses in an attempt to further understand the underlying connections between glass forming ability, nature of atomic level bonding, short and medium range ordering, and the evolution of structure and relaxation properties in the disordered phase. The anomalous breakdown of the fragility parameter as a useful GFA indicator in TM–M alloy systems is addressed through an in-depth investigation of bulk stiffness properties and the evolution of (pseudo)Gruneisen parameters over the quench domain, with the efficacy of other common glass forming ability indicators similarly being analyzed through direct computation in respective CuZr and NiAl systems. Comparison of fractional liquid-crystal density differences in the two systems revealed 2-3 times higher values for the NiAl system, providing further support for its efficacy as a general purpose GFA indicator.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5707569','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5707569"><span>Controlling the Mechanical Properties of Bulk Metallic Glasses by Superficial Dealloyed Layer</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Wang, Chaoyang; Li, Man; Zhu, Mo; Wang, Han; Qin, Chunling; Zhao, Weimin</p> <p>2017-01-01</p> <p>Cu50Zr45Al5 bulk metallic glass (BMG) presents high fracture strength. For improving its plasticity and controlling its mechanical properties, superficial dealloying of the BMG was performed. A composite structure containing an inner rod-shaped Cu-Zr-Al amorphous core with high strength and an outer dealloyed nanoporous layer with high energy absorption capacity was obtained. The microstructures and mechanical properties of the composites were studied in detail. It was found, for the first time, that the mechanical properties of Cu50Zr45Al5 BMG can be controlled by adjusting the width of the buffer deformation zone in the dealloyed layer, which can be easily manipulated with different dealloying times. As a result, the compressive strength, compressive strain, and energy absorption capacity of the BMGs can be effectively modulated from 0.9 to 1.5 GPa, from 2.9% to 4.7%, and from 29.1 to 40.2 MJ/m3, respectively. The paper may open a door for developing important engineering materials with regulable and comprehensive performances. PMID:29077072</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018ApPhA.124..439L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018ApPhA.124..439L"><span>Sr- and Nb-co-doped Li7La3Zr2O12 solid electrolyte with Al2O3 addition towards high ionic conductivity</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Lin, Changwei; Tang, Yu; Song, Jun; Han, Lei; Yu, Jingbo; Lu, Anxian</p> <p>2018-06-01</p> <p>In the present study, series of garnet-type Li6.75+ x La3- x Sr x Zr1.75Nb0.25O12 solid electrolytes [LLSZN with various Sr contents ( x = 0.05-0.25)] have been prepared via conventional solid-state method. The effects of Sr contents on their phase structure and ionic conductivity have been systematically investigated on the combined measurements of X-ray diffraction and scanning electron microscopy and alter current impedance spectroscopy. Our results reveal that a phase transition from tetragonal to cubic structure occurs when both Sr and Nb elements is introduced, and such a cubic structure can be stable over the whole Sr contents variation, which is suggested to provide a beneficial impact on the performance of LLSZN. Accordingly, both relative density and total ionic conductivity exhibit a favorable tendency of increasing first and then decreasing with increased Sr contents, wherein a peak value at 93.46% and 5.09 × 10-4 S cm-1, respectively, can be well achieved. Particularly, the maximum ionic conductivity is almost twice that of the compared sample (2.93 × 10-4 S cm-1), and possess the minimum activation energy 0.30 eV. Such a modification method, featured with higher efficiency and lower cost, is expected to be helpful for the development of solid electrolyte.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2006JSSCh.179.1883C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2006JSSCh.179.1883C"><span>Synthesis, crystal structure and spectroscopy properties of Na 3AZr(PO 4) 3 ( A=Mg, Ni) and Li 2.6Na 0.4NiZr(PO 4) 3 phosphates</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Chakir, M.; El Jazouli, A.; de Waal, D.</p> <p>2006-06-01</p> <p>Na 3AZr(PO 4) 3 ( A=Mg, Ni) phosphates were prepared at 750 °C by coprecipitation route. Their crystal structures have been refined at room temperature from X-ray powder diffraction data using Rietveld method. Li 2.6Na 0.4NiZr(PO 4) 3 was synthesized through ion exchange from the sodium analog. These materials belong to the Nasicon-type structure. Raman spectra of Na 3AZr(PO 4) 3 ( A=Mg, Ni) phosphates present broad peaks in favor of the statistical distribution in the sites around PO 4 tetrahedra. Diffuse reflectance spectra indicate the presence of octahedrally coordinated Ni 2+ ions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1330959-synthesis-structure-rigid-unit-mode-like-anisotropic-thermal-expansion-bair','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1330959-synthesis-structure-rigid-unit-mode-like-anisotropic-thermal-expansion-bair"><span>Synthesis, Structure, and Rigid Unit Mode-like Anisotropic Thermal Expansion of BaIr 2 In 9</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Calta, Nicholas P.; Han, Fei; Kanatzidis, Mercouri G.</p> <p>2015-09-08</p> <p>This Article reports the synthesis of large single crystals of BaIr 2In 9 using In flux and their characterization by variable-temperature single-crystal and synchrotron powder X-ray diffraction, resistivity, and magnetization measurements. The title compound adopts the BaFe 2Al 9-type structure in the space group P6/mmm with room temperature unit cell parameters a = 8.8548(6) angstrom and c = 4.2696(4) A. BaIr 2In 9 exhibits anisotropic thermal expansion behavior with linear expansion along the c axis more than 3 times larger than expansion in the ab plane between 90 and 400 K. This anisotropic expansion originates from a rigid unit mode-likemore » mechanism similar to the mechanism of zero and negative thermal expansion observed in many anomalous thermal expansion materials such as ZrW 2O 8 and ScF 3.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26270774','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26270774"><span>Synthesis, Structure, and Rigid Unit Mode-like Anisotropic Thermal Expansion of BaIr2In9.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Calta, Nicholas P; Han, Fei; Kanatzidis, Mercouri G</p> <p>2015-09-08</p> <p>This Article reports the synthesis of large single crystals of BaIr2In9 using In flux and their characterization by variable-temperature single-crystal and synchrotron powder X-ray diffraction, resistivity, and magnetization measurements. The title compound adopts the BaFe2Al9-type structure in the space group P6/mmm with room temperature unit cell parameters a = 8.8548(6) Å and c = 4.2696(4) Å. BaIr2In9 exhibits anisotropic thermal expansion behavior with linear expansion along the c axis more than 3 times larger than expansion in the ab plane between 90 and 400 K. This anisotropic expansion originates from a rigid unit mode-like mechanism similar to the mechanism of zero and negative thermal expansion observed in many anomalous thermal expansion materials such as ZrW2O8 and ScF3.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19880023728&hterms=heavy+metals&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D10%26Ntt%3Dheavy%2Bmetals','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19880023728&hterms=heavy+metals&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D10%26Ntt%3Dheavy%2Bmetals"><span>Crystallization of heavy metal fluoride glasses</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Bansal, Narottam P.; Bruce, Allan J.; Doremus, R. H.; Moynihan, C. T.</p> <p>1984-01-01</p> <p>The kinetics of crystallization of a number of fluorozirconate glasses were studied using isothermal and dynamic differential scanning calorimetry and X-ray diffraction. The addition of the fluorides LiF, NaF, AlF3, LaF3 to a base glass composition of ZrF4-BaF2 reduced the tendency to crystallize, probably by modifying the viscosity-temperature relation. ZrF4-BaF2-LaF3-AlF3-NaF glass was the most stable against devitrification and perhaps is the best composition for optical fibers with low scattering loss. Some glasses first crystallize out into metastable beta-BaZr2F10 and beta-BaZrF6 phases, which transform into the most stable alpha-phases when heated to higher temperatures. The size of the crystallites was estimated to be about 600 A from X-ray diffraction.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19800023979','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19800023979"><span>Performance of two-layer thermal barrier systems on directionally solidified Ni-Al-Mo and comparative effects of alloy thermal expansion on system life</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Stecura, S.</p> <p>1980-01-01</p> <p>A promising two-layer thermal barrier coating system (TBS), Ni-16.4Cr-5.1A1-0.15Y/ZrO2-6.1Y2O3 (all in weight percent), was identified for directionally solidified Ni-Al-Mo (gamma/gamma' alpha). In cyclic furnace tests at 1095 C this system on gamma/gamma' alpha was better than Ni-16. 4Cr-5.1Al-0.15Y/ZrO2-7.8Y2O3 by about 50 percent. In natural gas - oxygen torch rig tests at 1250 C the ZrO2-6.1Y2O3 coating was better than the ZrO2-7.8Y2O3 coating by 95 percent, on MAR-M509 substrates and by 60 percent on gamma/gamma' alpha substrates. Decreasing the coefficient of thermal expansion of the substrate material from 17-18x10 to the -6 power/C (MAR-M200 + Hf and MAR-M509) to 11x10 to the -6 power/C (gamma/gamma' alpha) also resulted in improved TBS life. For example, in natural gas - oxygen torch rig tests at 1250 C, the life of Ni-16.4Cr-5.1Al-0.15Y/ZrO26.1Y2O3 was about 30 percent better on gamma/gamma' alpha than on MAR-M509 substrates. Thus compositional changes in the bond and thermal barrier coatings were shown to have a greater effect on TBS life than does the coefficient of thermal expansion.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19900000978','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19900000978"><span>Zirconia toughened SiC whisker reinforced alumina composites small business innovation research</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Loutfy, R. O.; Stuffle, K. L.; Withers, J. C.; Lee, C. T.</p> <p>1987-01-01</p> <p>The objective of this phase 1 project was to develop a ceramic composite with superior fracture toughness and high strength, based on combining two toughness inducing materials: zirconia for transformation toughening and SiC whiskers for reinforcement, in a controlled microstructure alumina matrix. The controlled matrix microstructure is obtained by controlling the nucleation frequency of the alumina gel with seeds (submicron alpha-alumina). The results demonstrate the technical feasibility of producing superior binary composites (Al2O3-ZrO2) and tertiary composites (Al2O3-ZrO2-SiC). Thirty-two composites were prepared, consolidated, and fracture toughness tested. Statistical analysis of the results showed that: (1) the SiC type is the key statistically significant factor for increased toughness; (2) sol-gel processing with a-alumina seed had a statistically significant effect on increasing toughness of the binary and tertiary composites compared to the corresponding mixed powder processing; and (3) ZrO2 content within the range investigated had a minor effect. Binary composites with an average critical fracture toughness of 6.6MPam sup 1/2, were obtained. Tertiary composites with critical fracture toughness in the range of 9.3 to 10.1 MPam sup 1/2 were obtained. Results indicate that these composites are superior to zirconia toughened alumina and SiC whisker reinforced alumina ceramic composites produced by conventional techniques with similar composition from published data.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JTST...26..417A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JTST...26..417A"><span>Dual-Layer Oxidation-Protective Plasma-Sprayed SiC-ZrB2/Al2O3-Carbon Nanotube Coating on Graphite</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ariharan, S.; Sengupta, Pradyut; Nisar, Ambreen; Agnihotri, Ankur; Balaji, N.; Aruna, S. T.; Balani, Kantesh</p> <p>2017-02-01</p> <p>Graphite is used in high-temperature gas-cooled reactors because of its outstanding irradiation performance and corrosion resistance. To restrict its high-temperature (>873 K) oxidation, atmospheric-plasma-sprayed SiC-ZrB2-Al2O3-carbon nanotube (CNT) dual-layer coating was deposited on graphite substrate in this work. The effect of each layer was isolated by processing each component of the coating via spark plasma sintering followed by isothermal kinetic studies. Based on isothermal analysis and the presence of high residual thermal stress in the oxide scale, degradation appeared to be more severe in composites reinforced with CNTs. To avoid the complexity of analysis of composites, the high-temperature activation energy for oxidation was calculated for the single-phase materials only, yielding values of 11.8, 20.5, 43.5, and 4.5 kJ/mol for graphite, SiC, ZrB2, and CNT, respectively, with increased thermal stability for ZrB2 and SiC. These results were then used to evaluate the oxidation rate for the composites analytically. This study has broad implications for wider use of dual-layer (SiC-ZrB2/Al2O3) coatings for protecting graphite crucibles even at temperatures above 1073 K.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19920061058&hterms=metal+matrix&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D80%26Ntt%3Dmetal%2Bmatrix','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19920061058&hterms=metal+matrix&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D80%26Ntt%3Dmetal%2Bmatrix"><span>Metal- and intermetallic-matrix composites for aerospace propulsion and power systems</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Doychak, J.</p> <p>1992-01-01</p> <p>The requirements for high specific strength refractory materials of prospective military, civil, and space propulsion systems are presently addressed in the context of emerging capabilities in metal- and intermetallic-matrix composites. The candidate systems encompass composite matrix compositions of superalloy, Nb-Zr refractory alloy, Cu-base, and Ti-base alloy types, as well as such intermetallics as TiAl, Ti3Al, NiAl, and MoSi2. The brittleness of intermetallic matrices remains a major consideration, as does their general difficulty of fabrication.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018MRE.....5d6522L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018MRE.....5d6522L"><span>Microstructure and mechanical properties of rapidly solidified B2-type Zr–Co alloys containing a second phase of Zr2Co</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Li, Peiyou</p> <p>2018-04-01</p> <p>Microstructure and mechanical properties of B2-type Zr–Co alloys containing a second phase (Zr2Co) were investigated. Results show that the as-cast Zr52Co48, Zr54Co46, and Zr56Co44 alloys are composed of a eutectic structure of B2 and Zr2Co phases. Relative amounts of Zr2Co phases increase with an increase in Zr content. Zr54Co46 exhibits high yield strength, high Vickers hardness, good ductility, and high toughness values, and thus, Zr54Co46 can be considered to be a novel engineering material. The increase in strength and decrease in plastic strain of the alloys are mainly attributed to the increase in high strength of the brittle Zr2Co phase and to grain refining of the B2 matrix phase.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2003CP....291..275Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2003CP....291..275Z"><span>Photoluminescence and cathodoluminescence of Tb-doped Al 2O 3-ZrO 2 nanostructures obtained by sol-gel method</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zawadzki, M.; Hreniak, D.; Wrzyszcz, J.; Miśta, W.; Grabowska, H.; Malta, O. L.; Stręk, W.</p> <p>2003-07-01</p> <p>Terbium-doped Al 2O 3-ZrO 2 mixed oxides of 10 wt% zirconia content were prepared by the alkoxide sol-gel method. The obtained samples were characterized by XRD, SEM, thermal analysis, textural and TPR studies. The effect of thermal treatment of Tb-doped Al 2O 3-ZrO 2 samples on photo- and cathodoluminescence spectra was investigated. It was found that the photoluminescence spectrum induced by UV excitation was characterized by a green luminescence pattern arising from the 5D 4 → 7F J ( J=6-0) transitions of the Tb 3+ ion. This photoluminescence became almost completely damped for the samples sintered at 1200 °C. However, these samples have demonstrated an intense cathodoluminescence under high electron accelerating potential (60 kV). Moreover, it was observed that apart of the green luminescence, the blue emission lines arising from 5D 3 → 7F J transitions of Tb 3+ were observed. The nature of such behavior is discussed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2005PSSBR.242.1108L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2005PSSBR.242.1108L"><span>NMR study of B-2p Fermi-level density of states in the transition metal diborides</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Lue, C. S.; Lai, W. J.</p> <p>2005-04-01</p> <p>We present a systematic study of the AlB2-type transition metal diborides by measuring the 11B NMR spin-lattice relaxation rate on TiB2, VB2, ZrB2, NbB2, HfB2, as well as TaB2. For all studied materials, the observed relaxation at B nuclei is mainly due to the p-electrons. The comparison with theoretical calculations allows the experimental determination of the partial B-2p Fermi-level density of states (DOS). In addition, the extracted B-2p Fermi-level DOS values in TiB2, ZrB2, and HfB are consistently smaller than in VB2, NbB2, and TaB2. We connect this trend to the rigid-band scenario raised by band structure calculations.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_10");'>10</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li class="active"><span>12</span></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_12 --> <div id="page_13" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li class="active"><span>13</span></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="241"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1379209','DOE-PATENT-XML'); return false;" href="https://www.osti.gov/servlets/purl/1379209"><span>Low-cost, high-strength Fe--Ni--Cr alloys for high temperature exhaust valve application</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/doepatents">DOEpatents</a></p> <p>Muralidharan, Govindarajan</p> <p>2017-09-05</p> <p>An Fe--Ni--Cr alloy is composed essentially of, in terms of wt. %: 2.4 to 3.7 Al, up to 1.05 Co, 14.8 to 15.9 Cr, 25 to 36 Fe, up to 1.2 Hf, up to 4 Mn, up to 0.6 Mo, up to 2.2 Nb, up to 1.05 Ta, 1.9 to 3.6 Ti, up to 0.08 W, up to 0.03 Zr, 0.18 to 0.27 C, up to 0.0015 N, balance Ni, wherein, in terms of atomic percent: 8.5.ltoreq.Al+Ti+Zr+Hf+Ta.ltoreq.11.5, 0.53.ltoreq.Al/(Al+Ti+Zr+Hf+Ta).ltoreq.0.65, and 0.16.ltoreq.Cr/(Fe+Ni+Cr+Mn).ltoreq.0.21, the alloy being essentially free of Cu, Si, and V.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013GeoOD..55..532K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013GeoOD..55..532K"><span>Davinciite, Na12K3Ca6Fe{3/2+}Zr3(Si26O73OH)Cl2, a New K,Na-Ordered mineral of the eudialyte group from the Khibiny Alkaline Pluton, Kola Peninsula, Russia</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Khomyakov, A. P.; Nechelyustov, G. N.; Rastsvetaeva, R. K.; Rozenberg, K. A.</p> <p>2013-12-01</p> <p>This paper presents a description of a new zirconosilicate of the eudialyte group, which was named davinciite in honor of Leonardo da Vinci (1452-1519), a famous Italian scientist, painter, sculptor and architect. The new mineral has been found in hyperagpaitic pegmatite at the Rasvumchorr Mountain, Khibiny Pluton, Kola Peninsula, as relict inclusions, up to 1-2 mm in size in a rastsvetaevite matrix. It is associated with nepheline, sodalite, potassium feldspar, delhayelite, aegirine, shcherbakovite, villiaumite, nitrite, nacaphite, rasvumite, and djerfisherite. Davinciite is dark lavender and transparent, with a vitreous luster and white streak. The new mineral is brittle, with conchoidal fracture; the Mohs' hardness is 5. No indications of cleavage or parting were observed. The measured density is 2.82(2) g/cm3 (volumetric method); the calculated density is 2.848 g/cm3. Davinciite is optically uniaxial, positive; ω = 1.603(2), ɛ = 1.605(2). It is nonpleochroic and nonfluorescent in UV light. The new mineral slowly breaks down and gelates in 50% HCl and HNO3. It is trigonal, space group R3m. The unit-cell dimensions are a = 14.2956(2), c = 30.0228(5) Å, V=5313.6(2) Å3. The strongest reflections in the X-ray powder diffraction pattern [ d, Å ( I, %) ( hkl)] are as follows: 2.981(100)(315), 2.860(96)(404), 4.309(66)(205), 3.207(63)(208), 6.415(54)(104), 3.162(43)(217). The chemical composition (electron microprobe, H2O calculated from X-ray diffraction data) is as follows, wt %: 12.69 Na2O, 3.53 K2O, 11.02 CaO, 0.98 SrO, 0.15 BaO, 5.33 FeO, 0.37 MnO, 0.07 Al2O3, 51.20 SiO2, 0.39 TiO2, 11.33 ZrO2, 0.21HfO2, 0.09 Nb2O5, 1.89 Cl, 0.93H2O, -O = Cl2 0.43; total is 99.75. The empirical formula calculated on the basis of Si + Al + Zr + Hf + Ti + Nb = 29 ( Z = 3) is (Na1l.75Sr0.29Ba0.03)Σ12.07(K2.28Na0.72)Σ3Ca5.99(Fe2.26Mn0.16)Σ2.42(Zr2.80Ti0.15Hf0.03Nb0.02) Σ3(Si1.96Al0.04)Σ2[Si3O9]2 [Si9O27]2[(OH)1.42O0.58]Σ2[Cl1.62(H2O)0.38]Σ2 · 0.48H2O. The simplified formula is Na12K3Ca6Fe{3/2+}Zr3(Si26O73OH)Cl2. The IR-spectrum is given and the crystal structure is described. The position of davinciite in the crystal chemical taxonomy of the eudialyte group is shown, and its relationships with the other eudialyte-group minerals (acentric eudialyte, andrianovite, and kentbrooksite) are characterized. The type material of davinciite is deposited in the Fersman Mineralogical Museum, Russian Academy of Sciences, Moscow.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018ApPhA.124..129Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018ApPhA.124..129Y"><span>Investigation of magnetic and structural properties of Ni-Zr co-doped M-type Sr-La hexaferrites</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yang, Yujie; Wang, Fanhou; Shao, Juxiang; Huang, Duohui; Tang, Jin; Rehman, Khalid Mehmood Ur</p> <p>2018-02-01</p> <p>In this research, Ni2+ and Zr4+ co-doped Sr-La hexaferrites Sr0.7La0.3Fe12.0-2 x (NiZr) x O19 (0.0 ≤ x ≤ 0.5) were synthesized by the standard ceramic method. The phase identification of the hexaferrites was confirmed by X-ray diffraction analysis. X-ray diffraction analysis showed that all the samples were in single phase M-type hexagonal structure and no impurity phase was observed. Lattice parameters ( c and a) increased with increasing NiZr content ( x) from 0.0 to 0.5. The morphology of the hexaferrites was analyzed by a field emission scanning electron microscopy (FE-SEM). FE-SEM micrographs showed that the grains exhibited hexagonal shape in a plate-like structure with clear grain boundaries. Magnetization properties of the hexaferrites were carried out at room temperature using a physical property measurement system-vibrating sample magnetometer. The values of saturation magnetization ( M s), remanent magnetization ( M r) and coercivity ( H c) were calculated from magnetic hysteresis ( M- H) loops. M s and H c decreased with increasing NiZr content ( x) from 0.0 to 0.5. M r and M r/ M s ratio first increased with increasing NiZr content ( x) from 0.0 to 0.1, and then decreased when NiZr content ( x) ≥ 0.1.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016IJT....37..119E','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016IJT....37..119E"><span>The Melting Point of Palladium Using Miniature Fixed Points of Different Ceramic Materials: Part II—Analysis of Melting Curves and Long-Term Investigation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Edler, F.; Huang, K.</p> <p>2016-12-01</p> <p>Fifteen miniature fixed-point cells made of three different ceramic crucible materials (Al2O3, ZrO2, and Al2O3(86 %)+ZrO2(14 %)) were filled with pure palladium and used to calibrate type B thermocouples (Pt30 %Rh/Pt6 %Rh). A critical point by using miniature fixed points with small amounts of fixed-point material is the analysis of the melting curves, which are characterized by significant slopes during the melting process compared to flat melting plateaus obtainable using conventional fixed-point cells. The method of the extrapolated starting point temperature using straight line approximation of the melting plateau was applied to analyze the melting curves. This method allowed an unambiguous determination of an electromotive force (emf) assignable as melting temperature. The strict consideration of two constraints resulted in a unique, repeatable and objective method to determine the emf at the melting temperature within an uncertainty of about 0.1 μ V. The lifetime and long-term stability of the miniature fixed points was investigated by performing more than 100 melt/freeze cycles for each crucible of the different ceramic materials. No failure of the crucibles occurred indicating an excellent mechanical stability of the investigated miniature cells. The consequent limitation of heating rates to values below {± }3.5 K min^{-1} above 1100° C and the carefully and completely filled crucibles (the liquid palladium occupies the whole volume of the crucible) are the reasons for successfully preventing the crucibles from breaking. The thermal stability of the melting temperature of palladium was excellent when using the crucibles made of Al2O3(86 %)+ZrO2(14 %) and ZrO2. Emf drifts over the total duration of the long-term investigation were below a temperature equivalent of about 0.1 K-0.2 K.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014JPS...248..943I','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014JPS...248..943I"><span>A rocking chair type all-solid-state lithium ion battery adopting Li2O-ZrO2 coated LiNi0.8Co0.15Al0.05O2 and a sulfide based electrolyte</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ito, Seitaro; Fujiki, Satoshi; Yamada, Takanobu; Aihara, Yuichi; Park, Youngsin; Kim, Tae Young; Baek, Seung-Wook; Lee, Jae-Myung; Doo, Seokgwang; Machida, Nobuya</p> <p>2014-02-01</p> <p>An all-solid-state lithium-ion battery (ASSB) using non-flammable solid electrolytes is a candidate for a next-generation battery. Although the excellent cycle performance and its high energy density are suggested in the literature, a practical size battery has not been appeared yet. In this paper, we have adopted a sulfide based electrolyte, Li2S-P2S5 (80:20 mol%) to a rocking chair type lithium ion battery. The electrochemical cell consists of a Li2O-ZrO2 coated LiNi0.8Co0.15Al0.05O2 (NCA) cathode, an artificial graphite anode and the sulfide based electrolyte without any organic and inorganic liquids. The cathode charge transfer resistance is significantly reduced by the Li2O-ZrO2 coating. The total cell resistance of the Li2O-ZrO2 (LZO) coated NCA adopted cell is approximately one quarter of non-treated one. A standard type single cell with the nominal capacity of 100 mAh at 25 °C is fabricated by wet printing process, and its capacity retention is approximately 80% at 100 cycles. Also, a 1 Ah class battery was constructed by stacking the single cells, and demonstrated.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015JPS...281..399L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015JPS...281..399L"><span>Honeycomb-alumina supported garnet membrane: Composite electrolyte with low resistance and high strength for lithium metal batteries</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Liu, Kai; Wang, Chang-An</p> <p>2015-05-01</p> <p>Li-ion ceramic electrolyte material is considered the key for advanced lithium metal batteries, and garnet-type oxides are promising ceramic electrolyte materials. To disentangle the thinness-strength dilemma in garnet-type Li6.4La3Zr1.4Ta0.6O12 (LLZTO) electrolyte, we designed and successfully synthesized a ceramic-ceramic composite electrolyte, i.e. a honeycomb-Al2O3 pellet supported LLZTO membrane. The honeycomb-Al2O3 pellet acts as a supporter to the thin LLZTO membrane and makes the whole composite electrolyte strong enough, while the straight holes in the Al2O3 supporter can be filled with liquid electrolyte and acts as channels for Li+ transportation. Such a composite design eliminates the concern over the LLZTO membrane's fragility, and keeps its good electrical property.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1261440-structure-stoichiometry-supervalent-doped-li7la3-zr2o12','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1261440-structure-stoichiometry-supervalent-doped-li7la3-zr2o12"><span>Structure and Stoichiometry in Supervalent Doped Li 7La 3 Zr 2O 12</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Mukhopadhyay, Saikat; Thompson, Travis; Sakamoto, Jeff; ...</p> <p>2015-04-20</p> <p>The oxide garnet material Li 7La 3 Zr 2O 12 shows remarkably high ionic conductivity when doped with supervalent ions that are charge compensated by Li vacancies and is currently one of the best candidates for development of a technologically relevant solid electrolyte. Determination of optimal dopant concentration, however, has remained a persistent problem due to the extreme difficulty of establishing the actual (as compared to nominal) stoichiometry of intentionally doped materials and by the fact that it is still not entirely clear what level of lattice expansion/contraction best promotes. ionic diffusion. By combining careful synthesis, neutron diffraction, high-resolution X-raymore » diffraction (XRD), Raman measurements, and density functional theory calculations, we show that structure and stoichiometry are intimately related such that the former can in many cases be used as a gauge of the latter. We show that different Li-vacancy creating supervalent ions (Al 3+ vs Ta 5+) affect the structure very differently, both in terms of the lattice constant, which is easily measurable, and hi terms of the local structure, which can be difficult or impossible to access experimentally but may have important ramifications for conduction. We carefully correlate the lattice constant to dopant type/concentration via Vegard's law and then further correlate these quantities to relevant local structural parameters. In conclusion, our work opens the possibility of developing a codopant scheme that optimizes the Li vacancy concentration and the lattice size simultaneously.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013MS%26E...47a2054K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013MS%26E...47a2054K"><span>Structure and performance of polymer-derived bulk ceramics determined by method of filler incorporation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Konegger, T.; Schneider, P.; Bauer, V.; Amsüss, A.; Liersch, A.</p> <p>2013-12-01</p> <p>The effect of four distinct methods of incorporating fillers into a preceramic polymer matrix was investigated with respect to the structural and mechanical properties of the resulting materials. Investigations were conducted with a polysiloxane/Al2O3/ZrO2 model system used as a precursor for mullite/ZrO2 composites. A quantitative evaluation of the uniformity of filler distribution was obtained by employing a novel image analysis. While solvent-free mixing led to a heterogeneous distribution of constituents resulting in limited mechanical property values, a strong improvement of material homogeneity and properties was obtained by using solvent-assisted methods. The results demonstrate the importance of the processing route on final characteristics of polymer-derived ceramics.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29448713','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29448713"><span>Study on Microstructure and Mechanical Properties of Al-Li Based Alloys Processed by Extrusion.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Kim, Yong-Ho; Yoo, Hyo-Sang; Jung, Chang-Gi; Son, Hyeon-Taek</p> <p>2018-03-01</p> <p>Aluminum and its alloys, due to their low density, high specific strength and high corrosion resistance amongst various structural materials, are used in a wide range of industrial applications for different aqueous solutions. In the present study, we studied effects of Ce addition on microstructure and mechanical properties of Al-2Li-1Cu-0.8Mg-0.1Zr alloys. The melt was held at 780 °C for 20 min and poured into a mold. And as-cast Al alloys were hot-extruded into a plate that was 4 mm in thickness with a reduction ratio of 14:1. The extruded plates were held at 540 °C for 4 hr in water quenching to solution treatment them. As-extruded Al-2Li-1Cu-0.8Mg-0.1Zr-xCe (x = 0.3, 0.6, 0.9 and 1.2 wt.%) alloys are composed of Al, AlLi, AlCuLi and Al11Ce3 phases. By increasing the Ce content from 0 to 1.2 wt.%, the Al11Ce3 phase is increased, after solution treatment the AlLi and AlCuLi phases are decreased. With increasing Ce addition from 0 to 1.2 wt.%, the average grain size of the as-extruded Al alloys were decreased slightly from 100.7, 113.74, 84.3, 74.7 and 61.7 μm and ultimate tensile strength was decreased slightly from 267.59, 264.92, 237.40, 220.93 and 207.83 MPa at room temperature. After solution treatment, ultimate tensile strength was measured with 205.13, 198.12, 195.50, 198.27 and 208.01 MPa at room temperature.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018ApPhA.124..403Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018ApPhA.124..403Y"><span>Fabrication of dense and porous Li2ZrO3 nanofibers with electrospinning method</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yuan, Kangkang; Jin, Xiaotong; Xu, Chonghe; Wang, Xinqiang; Zhang, Guanghui; Zhu, Luyi; Xu, Dong</p> <p>2018-06-01</p> <p>Lithium zirconate (Li2ZrO3) has been extensively studied as CO2 capture material, electrolyte material and coating material. Most of the previous studies were focused on the powder structure, while seldom taking a consideration of fiber structure. In the present work, dense and porous Li2ZrO3 nanofibers with surface area of 16 m2 g-1 were prepared by electrospinning method. IR spectral results showed that lithium carbonate was the intermediate for the formation of Li2ZrO3. The phase transformation of Li2ZrO3 underwent the pathway of amorphous precursor fibers, tetragonal zirconia and Li2CO3, tetragonal Li2ZrO3, and monoclinic Li2ZrO3. XRD and XPS results further suggested that Li2O diffusion from the fiber body to surface occurred for Li2ZrO3 nanofibers when heat-treated above 900 °C, and the tetragonal Li2ZrO3 with high surface area could be obtained at 800 °C. Bamboo structure appeared both for the dense and porous nanofibers heat-treated at 1000 °C. The high surface area and high thermal stability of tetragonal phase of Li2ZrO3 make it a promising candidate in CO2 absorption, electrolyte and coating material.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015JPS...275..612W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015JPS...275..612W"><span>Phase transition in lithium garnet oxide ionic conductors Li7La3Zr2O12: The role of Ta substitution and H2O/CO2 exposure</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wang, Yuxing; Lai, Wei</p> <p>2015-02-01</p> <p>High Li-content lithium garnet oxides are promising solid electrolyte materials for lithium batteries. Being the highest Li-content lithium garnet oxides, Li7La3Zr2O12 has been reported to crystallize in either the tetragonal or cubic phase with no consensus on the exact conditions under which these two phases are formed, which may be due to unintentional Al contamination and air exposure. In this work, the effects of Ta substitution and H2O/CO2 exposure have been studied under Al-contamination free conditions with minimal air exposure. We showed that 1) the Ta-substitution induced phase transition occurred through a two-phase mechanism and a minimum 0.6 mol of Ta substitution to Zr is needed to stabilize the cubic phase; 2) H2O and CO2 can individually induce the tetragonal-cubic phase transition in Li7La3Zr2O12 through proton exchange and Li extraction, respectively, which can have great influence on the transport properties of Li7La3Zr2O12.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29677155','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29677155"><span>Intermetallic Growth and Interfacial Properties of the Grain Refiners in Al Alloys.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Li, Chunmei; Cheng, Nanpu; Chen, Zhiqian; Xie, Zhongjing; Hui, Liangliang</p> <p>2018-04-20</p> <p>Al₃TM(TM = Ti, Zr, Hf, Sc) particles acting as effective grain refiners for Al alloys have been receiving extensive attention these days. In order to judge their nucleation behaviors, first-principles calculations are used to investigate their intermetallic and interfacial properties. Based on energy analysis, Al₃Zr and Al₃Sc are more suitable for use as grain refiners than the other two intermetallic compounds. Interfacial properties show that Al/Al₃TM(TM = Ti, Zr, Hf, Sc) interfaces in I-ter interfacial mode exhibit better interface wetting effects due to larger Griffith rupture work and a smaller interface energy. Among these, Al/Al₃Sc achieves the lowest interfacial energy, which shows that Sc atoms should get priority for occupying interfacial sites. Additionally, Sc-doped Al/Al₃(Zr, Sc) interfacial properties show that Sc can effectively improve the Al/Al₃(Zr, Sc) binding strength with the Al matrix. By combining the characteristics of interfaces with the properties of intermetallics, the core-shell structure with Al₃Zr-core or Al₃Zr(Sc1-1)-core encircled with an Sc-rich shell forms.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19790025135','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19790025135"><span>Some TEM observations of Al2O3 scales formed on NiCrAl alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Smialek, J.; Gibala, R.</p> <p>1979-01-01</p> <p>The microstructural development of Al2O3 scales on NiCrAl alloys has been examined by transmission electron microscopy. Voids were observed within grains in scales formed on a pure NiCrAl alloy. Both voids and oxide grains grew measurably with oxidation time at 1100 C. The size and amount of porosity decreased towards the oxide-metal growth interface. The voids resulted from an excess number of oxygen vacancies near the oxidemetal interface. Short-circuit diffusion paths were discussed in reference to current growth stress models for oxide scales. Transient oxidation of pure, Y-doped, and Zr-doped NiCrAl was also examined. Oriented alpha-(Al, Cr)2O3 and Ni(Al, Cr)2O4 scales often coexisted in layered structures on all three alloys. Close-packed oxygen planes and directions in the corundum and spinel layers were parallel. The close relationship between oxide layers provided a gradual transition from initial transient scales to steady state Al2O3 growth.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/23025588','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/23025588"><span>Aluminum-doped ceria-zirconia solid solutions with enhanced thermal stability and high oxygen storage capacity.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Dong, Qiang; Yin, Shu; Guo, Chongshen; Sato, Tsugio</p> <p>2012-10-01</p> <p>A facile solvothermal method to synthesize aluminum-doped ceria-zirconia (Ce0.5Zr0.5-xAlxO2-x/2, x = 0.1 to 0.4) solid solutions was carried out using Ce(NH4)2(NO3)6, Zr(NO3)3·2H2O Al(NO3)3·9H2O, and NH4OH as the starting materials at 200°C for 24 h. The obtained solid solutions from the solvothermal reaction were calcined at 1,000°C for 20 h in air atmosphere to evaluate the thermal stability. The synthesized Ce0.5Zr0.3Al0.2O1.9 particle was characterized for the oxygen storage capacity (OSC) in automotive catalysis. For the characterization, X-ray diffraction, transmission electron microscopy, and the Brunauer-Emmet-Teller (BET) technique were employed. The OSC values of all samples were measured at 600°C using thermogravimetric-differential thermal analysis. Ce0.5Zr0.3Al0.2O1.9 solid solutions calcined at 1,000°C for 20 h with a BET surface area of 18 m2 g-1 exhibited a considerably high OSC of 427 μmol-O g-1 and good OSC performance stability. The same synthesis route was employed for the preparation of the CeO2 and Ce0.5Zr0.5O2. The incorporation of aluminum ion in the lattice of ceria-based catalyst greatly enhanced the thermal stability and OSC.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22689689-investigation-nanostructured-al-wt-zr-material-prepared-ball-milling-high-temperature-applications','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22689689-investigation-nanostructured-al-wt-zr-material-prepared-ball-milling-high-temperature-applications"><span></span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Prosviryakov, A.S., E-mail: pro.alex@mail.ru; Shch</p> <p></p> <p>Ground chips of as-cast Al-10 wt.% Zr alloy were subjected to mechanical alloying (MA) with 5 vol.% of nanodiamond addition in a high energy planetary ball-mill. The aim of this work was to investigate the microstructure, phase transformation and mechanical properties of the material both after MA and after subsequent annealing. Optical and transmission electron microscopes were used for morphological and microstructural analysis. The effect of milling time on powder microhardness, Al lattice parameter, lattice microstrain and crystallite size was determined. It was shown that mechanical alloying of as-cast Al-10wt.%Zr alloy during 20 h leads to a complete dissolution ofmore » the primary tetragonal Al{sub 3}Zr crystals in aluminum. At the same time, the powder microhardness increases to 370 HV. Metastable cubic Al{sub 3}Zr phase nanoparticles precipitate from the Al solution due to its decomposition after annealing, however, the Al solid solution remains supersaturated and nanocrystalline. Compression tests at room temperature and at 300 °C showed that the strength values of the hot-pressed samples reach 822 MPa and 344 MPa, respectively. - Highlights: •As-cast Al-10 wt.% Zr alloy was mechanically alloyed with 5 vol.% nanodiamond. •The primary tetragonal Al{sub 3}Zr crystals were completely dissolved in Al after 20 h. •Cubic Al{sub 3}Zr phase nanoparticles precipitated from Al solution after aging. •The aged bulk material showed a high strength at room and elevated temperatures.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015Tectp.650..124M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015Tectp.650..124M"><span>Refertilization process in the Patagonian subcontinental lithospheric mantle of Estancia Sol de Mayo (Argentina)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Melchiorre, Massimiliano; Coltorti, Massimo; Gregoire, Michel; Benoit, Mathieu</p> <p>2015-05-01</p> <p>Anhydrous mantle xenoliths equilibrated at 1003-1040 °C from Estancia Sol de Mayo (ESM, Central Patagonia, Argentina) and entrained in post-plateau alkaline lavas belonging to Meseta Lago Buenos Aires have been investigated aiming at reconstructing the depletion and enrichment processes that affected this portion of the Patagonia lithospheric mantle. Xenoliths are characterized by a coarse-grained protogranular texture and are devoid of evident modal metasomatism. They show two texturally different clinopyroxenes: protogranular (cpx1) and texturally related to spinel (cpx2). Three different types of orthopyroxenes are also recognized: large protogranular crystals with exsolution lamellae (opx1); small clean and undeformed grains without exsolution lamellae (opx2) and small grains arranged in a vein (opx3). Major element composition of clinopyroxenes and orthopyroxenes highlights two different trends characterized by i) a high Al2O3 content at almost constant mg# and ii) a slight increase in Al2O3 content with decreasing mg#. Clinopyroxenes are enriched in LREE and are characterized by prominent to slightly negative Nb, Zr and Ti anomalies. No geochemical differences are observed between cpx1 and cpx2, while a discrimination can be observed between opx1 and opx2 (LREE-depleted; prominent to slightly negative Ti and Zr anomalies) and opx3 (prominent positive Zr anomaly). Partial melting modeling using both major and trace elements indicates a melting degree between ~ 5% and ~ 13% (up to ~ 23% according to major element modeling) for lherzolites and between ~ 20% and ~ 30% for harzburgites (down to ~ 5% according to trace element modeling). La/Yb and Al2O3, as well as Sr and Al2O3 negative correlations in clinopyroxenes point to a refertilization event affecting this lithospheric mantle. The agent was most probably a transitional alkaline/subalkaline melt, as indicated by the presence of orthopyroxene in the vein and the similar geochemical features of ESM clinopyroxenes and those from Northern Patagonia pyroxenites which are derived from transitional alkaline/subalkaline lavas.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018SeScT..33e5007L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018SeScT..33e5007L"><span>Thermal phase separation of ZrSiO4 thin films and frequency- dependent electrical characteristics of the Al/ZrSiO4/p-Si/Al MOS capacitors</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Lok, R.; Kaya, S.; Yilmaz, E.</p> <p>2018-05-01</p> <p>In this work, the thermal phase separation and annealing optimization of ZrSiO4 thin films have been carried out. Following annealing optimization, the frequency-dependent electrical characteristics of the Al/ZrSiO4/p-Si/Al MOS capacitors were investigated in detail. The chemical evolution of the films under various annealing temperatures was determined by Fourier transform infrared spectroscopy (FTIR) measurements. The phase separation was determined by x-ray diffraction (XRD) measurements. The electrical parameters were determined via the capacitance–voltage (C–V), conductance–voltage (G/ω) and leakage-current–voltage (Ig–Vg ). The results demonstrate that zirconium silicate formations are present at 1000 °C annealing with the SiO2 interfacial layer. The film was in amorphous form after annealing at 250 °C. The tetragonal phases of ZrO2 were obtained after annealing at 500 °C. When the temperature approaches 750 °C, transitions from the tetragonal phase to the monoclinic phase were observed. The obtained XRD peaks after 1000 °C annealing matched the crystalline peaks of ZrSiO4. This means that the crystalline zirconium dioxide in the structure has been converted into a crystalline silicate phase. The interface states increased to 5.71 × 1010 and the number of border traps decreased to 7.18 × 1010 cm‑2 with the increasing temperature. These results indicate that an excellent ZrSiO4/Si interface has been fabricated. The order of the leakage current varied from 10‑9 Acm‑2 to 10‑6 Acm‑2. The MOS capacitor fabricated with the films annealed at 1000 °C shows better behavior in terms of its structural, chemical and electrical properties. Hence, detailed frequency-dependent electrical characteristics were performed for the ZrSiO4 thin film annealed at 1000 °C. Very slight capacitance variations were observed under the frequency variations. This shows that the density of frequency-dependent charges is very low at the ZrSiO4/Si interface. The barrier height of the device varies slightly from 0.776 eV to 0.827 eV under frequency dispersion. Briefly, it is concluded that the devices annealed at 1000 °C exhibit promising electrical characteristics.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010PhRvB..82r4204F','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010PhRvB..82r4204F"><span>Atomistic cluster alignment method for local order mining in liquids and glasses</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Fang, X. W.; Wang, C. Z.; Yao, Y. X.; Ding, Z. J.; Ho, K. M.</p> <p>2010-11-01</p> <p>An atomistic cluster alignment method is developed to identify and characterize the local atomic structural order in liquids and glasses. With the “order mining” idea for structurally disordered systems, the method can detect the presence of any type of local order in the system and can quantify the structural similarity between a given set of templates and the aligned clusters in a systematic and unbiased manner. Moreover, population analysis can also be carried out for various types of clusters in the system. The advantages of the method in comparison with other previously developed analysis methods are illustrated by performing the structural analysis for four prototype systems (i.e., pure Al, pure Zr, Zr35Cu65 , and Zr36Ni64 ). The results show that the cluster alignment method can identify various types of short-range orders (SROs) in these systems correctly while some of these SROs are difficult to capture by most of the currently available analysis methods (e.g., Voronoi tessellation method). Such a full three-dimensional atomistic analysis method is generic and can be applied to describe the magnitude and nature of noncrystalline ordering in many disordered systems.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015JMEP...24.4244H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015JMEP...24.4244H"><span>Effects of Al3(Sc,Zr) and Shear Band Formation on the Tensile Properties and Fracture Behavior of Al-Mg-Sc-Zr Alloy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Huang, Hongfeng; Jiang, Feng; Zhou, Jiang; Wei, Lili; Qu, Jiping; Liu, Lele</p> <p>2015-11-01</p> <p>The mechanical properties and microstructures of Al-6Mg-0.25Sc-0.1Zr alloy (wt.%) during annealing were investigated by means of uniaxial tensile testing, optical microscope, scanning electron microscope, transmission electron microscope, and high-resolution transmission electron microscope. The results show that a large number of micro and grain-scale shear bands form in this alloy after cold rolling. As the tensile-loading force rises, strain softening would generate in shear bands, resulting in the occurrence of shear banding fracture in cold-rolled Al-Mg-Sc-Zr alloys. Recrystallization takes place preferentially in shear bands during annealing. Due to the formation of coarse-grain bands constructed by new subgrains, recrystallization softening tends to occur in these regions. During low-temperature annealing, recrystallization is inhibited by nano-scale Al3(Sc,Zr) precipitates which exert significant coherency strengthening and modulus hardening. However, the strengthening effect of Al3(Sc,Zr) decreases with the increasing of particle diameter at elevated annealing temperature. The mechanical properties of the recrystallized Al-Mg-Sc-Zr alloy decrease to a minimum level, and the fracture plane exhibits pure ductile fracture characteristics.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1988JSSCh..77..342O','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1988JSSCh..77..342O"><span>Chemical vapor transport of layer structured crystal β-ZrNCl</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ohashi, M.; Yamanaka, S.; Hattori, M.</p> <p>1988-12-01</p> <p>A layer structured compound β-ZrNCl is transported to a higher temperature zone with the aid of ammonium chloride as the transporting agent in the temperature range of 823-1173 K. The transport mechanism can be explained by the formation of a volatile compound (NH 4) 2ZrCl 6: β- ZrNCl+5 NH4Cl→( NH4) 2ZrCl6+4 NH3. The measurements of the vapor pressure and the mass spectrum revealed that (NH 4) 2ZrCl 6 decomposed congruently according to the equation: ( NH4) 2ZrCl6( s)→ ZrCl4( g)+2 NH3( g)+2 HCl( g) The enthalpy change for the decomposition was determined to be 533 kJ/mol. By combining the above two equations, a simplified transport equation is derived: β- ZrNCl( s)+3 HCl( g)⇌ ZrCl4( g+ NH3( g) .</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_11");'>11</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li class="active"><span>13</span></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_13 --> <div id="page_14" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li class="active"><span>14</span></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="261"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1185608-temperature-dependent-local-structural-properties-redox-pt-nanoparticles-tio2-zro2-supports','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1185608-temperature-dependent-local-structural-properties-redox-pt-nanoparticles-tio2-zro2-supports"><span>Temperature-dependent local structural properties of redox Pt nanoparticles on TiO 2 and ZrO 2 supports</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Jeong, Eun -Suk; Park, Chang -In; Jin, Zhenlan; ...</p> <p>2015-01-21</p> <p>This paper examined the local structural properties of Pt nanoparticles on SiO 2, TiO 2–SiO 2, and ZrO 2–SiO 2 supports to better understand the impact of oxide-support type on the performance of Pt-based catalysts. In situ X-ray absorption fine structure (XAFS) measurements were taken for the Pt L3-edge in a temperature range from 300 to 700 K in He, H 2, and O 2 gas environments. The XAFS measurements demonstrated that Pt atoms were highly dispersed on TiO 2–SiO 2 and ZrO 2–SiO 2 forming pancake-shaped nanoparticles, whereas Pt atoms formed larger particles of hemispherical shapes on SiO 2more » supports. Contrary to the SiO 2 case, the coordination numbers for Pt, Ti, and Zr around Pt atoms on the TiO 2–SiO 2 and ZrO 2–SiO 2 supports were nearly constant from 300 to 700 K under the different gas environments. These results are consistent with the improvements in thermal stability of Pt nanoparticles achieved by incorporating TiO 2 or ZrO 2 on the surface of SiO 2 supports. XAFS analysis further indicated that the enhanced dispersion and stability of Pt were a consequence of the strong metal support interaction via Pt–Ti and Pt–Zr bonds.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1265303-ab-initio-molecular-dynamics-simulations-ion-solid-interactions-zirconate-pyrochlores','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1265303-ab-initio-molecular-dynamics-simulations-ion-solid-interactions-zirconate-pyrochlores"><span>Ab initio molecular dynamics simulations of ion-solid interactions in zirconate pyrochlores</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Xiao, Haiyan Y.; Weber, William J.; Zhang, Yanwen; ...</p> <p>2015-01-31</p> <p>In this paper, an ab initio molecular dynamics method is employed to study low energy recoil events in zirconate pyrochlores (A 2Zr 2O 7, A = La, Nd and Sm). It shows that both cations and anions in Nd 2Zr 2O 7 and Sm 2Zr 2O 7 are generally more likely to be displaced than those in La 2Zr 2O 7. The damage end states mainly consist of Frenkel pair defects, and the Frenkel pair formation energies in Nd 2Zr 2O 7 and Sm 2Zr 2O 7 are lower than those in La 2Zr 2O 7. These results suggest thatmore » the order–disorder structural transition more easily occurs in Nd 2Zr 2O 7 and Sm 2Zr 2O 7 resulting in a defect-fluorite structure, which agrees well with experimental observations. Our calculations indicate that oxygen migration from 48f and 8b to 8a sites is dominant under low energy irradiation. A number of new defects, including four types of cation Frenkel pairs and six types of anion Frenkel pairs, are revealed by ab initio molecular dynamics simulations. The present findings may help to advance the fundamental understanding of the irradiation response behavior of zirconate pyrochlores.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1178539','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1178539"><span>Electronic Structure, Phonon Dynamical Properties, and CO 2 Capture Capability of Na 2 - x M x Zr O 3 ( M = Li ,K): Density-Functional Calculations and Experimental Validations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Duan, Yuhua; Lekse, Jonathan; Wang, Xianfeng</p> <p>2015-04-22</p> <p>The electronic structural and phonon properties of Na 2-αM αZrO 3 (M ¼ Li,K, α = ¼ 0.0,0.5,1.0,1.5,2.0) are investigated by first-principles density-functional theory and phonon dynamics. The thermodynamic properties of CO 2 absorption and desorption in these materials are also analyzed. With increasing doping level α, the binding energies of Na 2-αLi αZrO 3 are increased while the binding energies of Na 2-α K αZrO 3 are decreased to destabilize the structures. The calculated band structures and density of states also show that, at the same doping level, the doping sites play a significant role in the electronic properties.more » The phonon dispersion results show that few soft modes are found in several doped configurations, which indicates that these structures are less stable than other configurations with different doping levels. From the calculated relationships among the chemical-potential change, the CO 2 pressure, and the temperature of the CO 2 capture reactions by Na 2-αM αZrO 3, and from thermogravimetric-analysis experimental measurements, the Li- and K-doped mixtures Na 2-αM αZrO 3 have lower turnover temperatures (T t) and higher CO 2 capture capacities, compared to pure Na 2ZrO 3. The Li-doped systems have a larger T t decrease than the K-doped systems. When increasing the Li-doping level α, the T t of the corresponding mixture Na 2-αLi αZrO 3 decreases further to a low-temperature range. However, in the case of K-doped systems Na 2-αK αZrO 3, although doping K into Na 2ZrO 3 initially shifts its T t to lower temperatures, further increases of the K-doping level α causes T t to increase. Therefore, doping Li into Na 2ZrO 3 has a larger influence on its CO 2 capture performance than the K-doped Na 2ZrO 3. Compared with pure solidsM 2ZrO 3, after doping with other elements, these doped systems’ CO 2 capture performances are improved.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JPS...391...26B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JPS...391...26B"><span>Stabilization of cubic Li7La3Hf2O12 by Al-doping</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Baklanova, Yana V.; Tyutyunnik, Alexander P.; Tarakina, Nadezda V.; Fortes, A. Dominic; Maksimova, Lidiya G.; Korona, Daniil V.; Denisova, Tatyana A.</p> <p>2018-07-01</p> <p>In this paper we report on the stabilization of cubic Li7La3Hf2O12 by Al3+ doping and present a detailed crystal structure study and lithium ion conductivity measurements of the obtained compound. Polycrystalline Al-doped Li7La3Hf2O12 was prepared by a modified solid state method. The compound consists of micrometer size grains encapsulated by a glassy phase, which helps preventing the volatilization of lithium during annealing. Al-doped Li7La3Hf2O12 crystallizes in the garnet-related structure with a cubic unit cell (sp. gr. Ia 3 bar d (230)). A structural refinement using X-ray and neutron powder diffraction data showed that the Al3+ ions occupy only tetrahedral Li+ sites in the structure. The presence of overextended leading edges of the peaks on the XRD and NPD data is described by the introduction of an additional phase with rhombohedral distortion that occurs through a stretching of the cubic phase along the body diagonal. The activation energy as well as the total conductivity at room temperature are close to values obtained for un-doped cubic Li7La3Zr2O12 and Li7La3Hf2O12 garnets, which make Al-doped Li7La3Hf2O12 a potential candidate for the application as solid electrolyte in solid-state rechargeable lithium-ion batteries.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JMMM..456..160P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JMMM..456..160P"><span>Crystal structure, Raman scattering and magnetic properties of CuCr2-xZrxSe4 and CuCr2-xSnxSe4 selenospinels</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Pinto, C.; Galdámez, A.; Barahona, P.; Moris, S.; Peña, O.</p> <p>2018-06-01</p> <p>Selenospinels, CuCr2-xMxSe4 (M = Zr and Sn), were synthesized via conventional solid-state reactions. The crystal structure of CuCr1.5Sn0.5Se4, CuCr1.7Sn0.3Se4, CuCr1.5Zr0.5Se4, and CuCr1.8Zr0.2Se4 were determined using single-crystal X-ray diffraction. All the phases crystallized in a cubic spinel-type structure. The chemical compositions of the single-crystals were examined using energy-dispersive X-ray analysis (EDS). Powder X-ray diffraction patterns of CuCr1.3Sn0.7Se4 and CuCr1.7Sn0.3Se4 were consistent with phases belonging to the Fd 3 bar m Space group. An analysis of the vibrational properties on the single-crystals was performed using Raman scattering measurements. The magnetic properties showed a spin glass behavior with increasing Sn content and ferromagnetic order for CuCr1.7Sn0.3Se4.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2009Nanot..20t4024O','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2009Nanot..20t4024O"><span>Experimental and theoretical screening of nanoscale oxide reactivity with LiBH4</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Opalka, S. M.; Tang, X.; Laube, B. L.; Vanderspurt, T. H.</p> <p>2009-05-01</p> <p>Experimentation, thermodynamic modeling, and atomic modeling were combined to screen the reactivity of SiO2, Al2O3, and ZrO2 nanoscale oxides with LiBH4. Equilibrium thermodynamic modeling showed that the reactions of oxides with LiBH4 could lead to formation of stable Li-bearing oxide and metal boride phases. Experimentation was conducted to evaluate the discharge/recharge reaction products of nanoscale oxide-LiBH4 mixtures. Thermal gravimetric analyses-mass spectroscopy and x-ray diffraction revealed significant SiO2 destabilization of LiBH4 dehydrogenation, resulting in the formation of lithium silicate and boric acid. A smaller amount of lithium metaborate and boric acid was formed with Al2O3. No destabilization products were observed with ZrO2. Density functional theory atomic modeling predicted much stronger LiBH4 interfacial adsorption on the SiO2 and Al2O3 surfaces than on the ZrO2 surface, which was consistent with the experimental findings. Following dehydrogenation, interfacial Li atoms were predicted to strongly adsorb on the oxide surfaces effectively competing with LiH formation. The interfacial Li interactions with Al2O3 and ZrO2 were equal in strength in the fully hydrided and dehydrided states, so that their predicted net effect on LiBH4 dehydrogenation was insignificant. Zirconia was selected for nanoframework development based on the combined observations of compatibility and weaker associative interactions with LiBH4.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013MS%26E...47a2027K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013MS%26E...47a2027K"><span>Conductive, magnetic and structural properties of multilayer films</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kotov, L. N.; Turkov, V. K.; Vlasov, V. S.; Lasek, M. P.; Kalinin, Yu E.; Sitnikov, A. V.</p> <p>2013-12-01</p> <p>Composite-semiconductor and composite-dielectric multilayer films were obtained by the ion beam sputtering method in the argon and hydrogen atmospheres with compositions: {[(Co45-Fe45-Zr10)x(Al2O3)y]-[α-Si]}120, {[(Co45-Ta45-Nb10)x(SiO2)y]-[SiO2]}56, {[(Co45-Fe45-Zr10)x(Al2O3)y]-[α-Si:H]}120. The images of surface relief and distribution of the dc current on composite layer surface were obtained with using of atomic force microscopy (AFM). The dependencies of specific electric resistance, ferromagnetic resonance (FMR) fields and width of line on metal (magnetic) phase concentration x and nanolayers thickness of multilayer films were obtained. The characteristics of FMR depend on magnetic interaction among magnetic granules in the composite layers and between the layers. These characteristics depend on the thickness of composite and dielectric or semiconductor nanolayers. The dependences of electric microwave losses on the x and alternating field frequency were investigated.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1325439-advanced-tem-characterization-oxide-nanoparticles-ods-fe12cr5al-alloys','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1325439-advanced-tem-characterization-oxide-nanoparticles-ods-fe12cr5al-alloys"><span>Advanced TEM characterization of oxide nanoparticles in ODS Fe–12Cr–5Al alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Unocic, Kinga A; Hoelzer, David T; Pint, Bruce A</p> <p>2016-01-01</p> <p>For oxide nanoparticles present in three oxide-dispersion-strengthened (ODS) Fe–12Cr–5Al alloys containing additions of (1) Y 2O 3 (125Y), (2) Y 2O 3 + ZrO 2 (125YZ), and (3) Y 2O 3 + HfO 2 (125YH), were investigated using transmission and scanning transmission electron microscopy. Furthermore, in all three alloys nano-sized (<3.5 nm) oxide particles distributed uniformly throughout the microstructure were characterized using advanced electron microscopy techniques. In the 125Y alloy, mainly Al 2O 3 and yttrium–aluminum garnet (YAG) phases (Y 3Al 5O 12) were present, while in the 125YZ alloy, additional Zr(C,N) precipitates were identified. The 125YH alloy had themore » most complex precipitation sequence whereby in addition to the YAG and Al 2O 3 phases, Hf(C,N), Y 2Hf 2O 7, and HfO 2 precipitates were also found. The presence of HfO 2 was mainly due to the incomplete incorporation of HfO 2 powder during mechanical alloying of the 125YH alloy. The alloy having the highest total number density of the oxides, the smallest grain size, and the highest Vickers hardness was the 125YZ alloy indicating, that Y 2O 3 + ZrO 2 additions had the strongest effect on grain size and tensile properties. Finally, high-temperature mechanical testing will be addressed in the near future, while irradiation studies are underway to investigate the irradiation resistance of these new ODS FeCrAl alloys.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19910019022','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19910019022"><span>The influence of Ag+Mg additions on the nucleation of strengthening precipitates in a non-cold-worked Al-Cu-Li alloy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p></p> <p>1991-01-01</p> <p>Aluminum-copper-lithium alloys generally require cold work to attain their highest strengths in artificially aged tempers. These alloys are usually strengthened by a combination of the metastable delta prime (Al3Li) and theta prime (Al2Cu) phases and the equilibrium T sub 1 (Al2CuLi) phase, and where the T sub 1 phase is a more potent strengthener than the delta prime. Various investigators have shown that the high strengths obtained after artificial aging associated with cold work result from the heterogeneous precipitation of T sub 1 on matrix dislocations. The objective here is to elucidate the mechanism by which the Ag+Mg additions stimulate the precipitation of T sub 1 type precipitates without cold work. To accomplish this, the microstructure of an Al-6.3Cu-1.3Li-0.14Zr model alloy was evaluated in a T6 type temper with and without the Ag+Mg addition.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017ApSS..421..283A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017ApSS..421..283A"><span>Optical and structural characterization of Ge clusters embedded in ZrO2</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Agocs, E.; Zolnai, Z.; Rossall, A. K.; van den Berg, J. A.; Fodor, B.; Lehninger, D.; Khomenkova, L.; Ponomaryov, S.; Gudymenko, O.; Yukhymchuk, V.; Kalas, B.; Heitmann, J.; Petrik, P.</p> <p>2017-11-01</p> <p>The change of optical and structural properties of Ge nanoclusters in ZrO2 matrix have been investigated by spectroscopic ellipsometry versus annealing temperatures. Radio-frequency top-down magnetron sputtering approach was used to produce the samples of different types, i.e. single-layers of pure Ge, pure ZrO2 and Ge-rich-ZrO2 as well as multi-layers stacked of 40 periods of 5-nm-Ge-rich-ZrO2 layers alternated by 5-nm-ZrO2 ones. Germanium nanoclusters in ZrO2 host were formed by rapid-thermal annealing at 600-800 °C during 30 s in nitrogen atmosphere. Reference optical properties for pure ZrO2 and pure Ge have been extracted using single-layer samples. As-deposited multi-layer structures can be perfectly modeled using the effective medium theory. However, annealed multi-layers demonstrated a significant diffusion of elements that was confirmed by medium energy ion scattering measurements. This fact prevents fitting of such annealed structure either by homogeneous or by periodic multi-layer models.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25958580','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25958580"><span>Effect of La2O3 addition on interface chemistry between 4YSZ top layer and Ni based alloy bond coat in thermal barrier coating by EB PVD.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Park, Chan-Young; Yang, Young-Hwan; Kim, Seong-Won; Lee, Sung-Min; Kim, Hyung-Tae; Jang, Byung-Koog; Lim, Dae-Soon; Oh, Yoon-Suk</p> <p>2014-11-01</p> <p>The effect of a 5 mol% La2O3 addition on the forming behavior and compositional variation at interface between a 4 mol% Yttria (Y2O3) stabilized ZrO2 (4YSZ) top coat and bond coat (NiCrAlY) as a thermal barrier coating (TBC) has been investigated. Top coats were deposited by electron beam physical vapor deposition (EB PVD) onto a super alloy (Ni-Cr-Co-Al) substrate without pre-oxidation of the bond coat. Top coats are found to consist of dense columnar grains with a thin interdiffusion layer between metallic bond coats. In the as-received 4YSZ coating, a thin interdiffusion zone at the interface between the top and bond coats was found to consist of a Ni-Zr intermetallic compound with a reduced quantity of Y, Al or O elements. On the other hand, in the case of an interdiffusion area of 5 mol% La2O3-added 4YSZ coating, it was found that the complicated composition and structure with La-added YSZ and Ni-Al rich compounds separately. The thermal conductivity of 5 mol% La2O3-added 4YSZ coating (- 1.6 W/m x k at 1100 degrees C) was lower than a 4YSZ coating (- 3.2 W/m x k at 1100 degrees C) alone.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19890051229&hterms=sem+topography&qs=N%3D0%26Ntk%3DAll%26Ntx%3Dmode%2Bmatchall%26Ntt%3Dsem%2Btopography','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19890051229&hterms=sem+topography&qs=N%3D0%26Ntk%3DAll%26Ntx%3Dmode%2Bmatchall%26Ntt%3Dsem%2Btopography"><span>Effect of the theta-alpha-Al2O3 transformation on the oxidation behavior of beta-NiAl+Zr</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Rybicki, George C.; Smialek, James L.</p> <p>1989-01-01</p> <p>Isothermal oxidation of NiAl+Zr has been performed over the temperature range of 800-1200 C and studied by TGA, XRD, and SEM. A discontinuous decrease in growth rate of two orders of magnitude was observed at 1000 C due to the formation of alpha-Al2O3 from theta-Al2O3. This transformation also resulted in a dramatic change in the surface morphology of the scales, as a whisker topography was changed into a weblike network of oxide ridges and radial transformation cracks. It is believed that the ridges are evidence for a short-circuit outward aluminum diffusion growth mechanism that has been documented in a number of O-18 tracer studies.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2008JAP...103j4907C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2008JAP...103j4907C"><span>Influence of the chemical and electronic structure on the electrical behavior of zirconium oxynitride films</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Carvalho, P.; Chappé, J. M.; Cunha, L.; Lanceros-Méndez, S.; Alpuim, P.; Vaz, F.; Alves, E.; Rousselot, C.; Espinós, J. P.; González-Elipe, A. R.</p> <p>2008-05-01</p> <p>This work is devoted to the investigation of decorative zirconium oxynitride, ZrOxNy, films prepared by dc reactive magnetron sputtering, using a 17:3 nitrogen-to-oxygen-ratio gas mixture. The color of the films changed from metallic-like, very bright yellow pale, and golden yellow, for low gas mixture flows [from 0 to about 9SCCM (SCCM denotes cubic centimeter per minute at STP)] to red brownish for intermediate gas flows (values up to 12SCCM). Associated to this color change there is a significant decrease of brightness. With further increase of the reactive gas flow, the color of the samples changed from red brownish to dark blue (samples prepared with 13 and 14SCCM). The films deposited with gas flows above 14SCCM showed only apparent colorations due to interference effects. This change in optical behavior from opaque to transparent (characteristic of a transition from metallic to insulating-type materials), promoted by the change in gas flow values, revealed that significant changes were occurring in the film structure and electronic properties, thus opening new potential applications for the films, beyond those of purely decorative ones. Taking this into account, the electrical behavior of the films was investigated as a function of the reactive gas flow and correlated with the observed chemical, electronic, and structural features. The variations in composition disclosed the existence of four different zones, which were correlated to different crystalline structures. For the so-called zone I, x-ray diffraction revealed the development of films with a B1 NaCl face-centered cubic zirconium nitride-type phase, with some texture changes. Increasing the reactive gas flow, the structure of the films is that of a poorly crystallized overstoichiometric nitride phase, which may be similar to that of Zr3N4, but with some probable oxygen inclusions within nitrogen positions. This region was characterized as zone II. Zone III was indexed as an oxynitride-type phase, similar to that of γ-Zr2ON2 with some oxygen atoms occupying some of the nitrogen positions. Finally, occurring at the highest flow rates, zone IV was assigned to a ZrO2 monoclinic-type structure. The composition/structure variations were consistent with the chemical bonding analysis carried out by x-ray photoelectron spectroscopy, which showed oxygen doping in both Zr3N4- and ZrN-type grown films. The electronic properties of the films exhibited significant changes from zone to zone. Resistivity measurements revealed a very wide range of values, varying from relatively highly conductive materials (for zone I) with resistivity values around few hundreds of μΩcm to highly insulating films within zones III and IV, which presented resistivity values in the order of 1015μΩcm. Regarding zone II, corresponding to oxygen doped Zr3N4-type compounds, the observed behavior revealed resistivity values increasing steeply from about 103 up to 1015μΩcm, indicating a systematic transition from metallic to insulating regimes.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22308154-ab-initio-study-donor-acceptor-codoping-type-cuo','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22308154-ab-initio-study-donor-acceptor-codoping-type-cuo"><span></span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Peng, Yuan; Wang, Junling, E-mail: jlwang@ntu.edu.sg; Zheng, Jianwei</p> <p></p> <p>Single n-type dopant in CuO has either a deep donor level or limited solubility, inefficient in generating free electrons. We have performed ab-initio study of the donor-acceptor codoping to obtain n-type CuO. Our results show that N codoping can slightly improve the donor level of Zr and In by forming shallower n-type complexes (Zr{sub Cu}-N{sub O} and 2In{sub Cu}-N{sub O}), but their formation energies are too high to be realized in experiments. However, Li codoping with Al and Ga is found to be relatively easy to achieve. 2Al{sub Cu}-Li{sub Cu} and 2Ga{sub Cu}-Li{sub Cu} have shallower donor levels than singlemore » Al and Ga by 0.14 eV and 0.08 eV, respectively, and their formation energies are reasonably low to act as efficient codopants. Moreover, Li codoping with both Al and Ga produce an empty impurity band just below the host conduction band minimum, which may reduce the donor ionization energy at high codoping concentrations.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2007ApPhL..91q1902W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2007ApPhL..91q1902W"><span>The influence of Sc addition on the welding microstructure of Zr-based bulk metallic glass: The stability of the amorphous phase</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wang, Shing Hoa; Kuo, Pei Hung; Tsang, Hsiao Tsung; Jeng, Rong Ruey; Lin, Yu Lon</p> <p>2007-10-01</p> <p>Pulsed direct current autogeneous tungsten inert gas arc welding was conducted on rods of bulk metallic glasses (BMGs) Zr55Cu30Ni5Al10 and (Zr55Cu30Ni5Al10)99.98Sc0.02 under two different cooling conditions. The crystalline precipitates in the fusion zone of BMG Zr55Cu30Ni5Al10 were confirmed by microfocused x-ray diffraction pattern analysis as Zr2Ni and Zr2(Cu,Al) intermetallic compounds. In contrast, BMG with Sc addition (Zr55Cu30Ni5Al10)99.98Sc0.02 shows an excellent stable glass forming ability. The fusion zone of BMG (Zr55Cu30Ni5Al10)99.98Sc0.02 remains in the same amorphous state as that of the amorphous base metal when the weld is cooled with accelerated cooling.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1289513-cao-mgo-al2o3-sio2-cmas-corrosion-gd2zr2o7-sm2zr2o7','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1289513-cao-mgo-al2o3-sio2-cmas-corrosion-gd2zr2o7-sm2zr2o7"><span>CaO-MgO-Al 2O 3-SiO 2 (CMAS) corrosion of Gd 2Zr 2O 7 and Sm 2Zr 2O 7</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Wang, Honglong; Bakal, Ahmet; Zhang, Xingxing; ...</p> <p>2016-08-08</p> <p>Ceramic thermal barrier coatings are applied to superalloys used in gas turbine engineering to increase the operating temperature and the energy conversion efficiency. However, dust consisting of CaO-MgO-Al 2O 3-SiO 2 (CMAS) from the air can be injected into the engines and corrode the thermal barrier coatings. Lanthanide zirconates are promising materials in thermal barrier coatings due to their low thermal conductivities, good phase stability and good corrosion resistance. However, the corrosion resistance mechanism of CMAS on lanthanide zirconates is still not clearly understood. In this work, the corrosion mechanism of Gd 2Zr 2O 7 and Sm 2Zr 2O 7more » in CMAS is studied. Here, the results show that the CMAS can easily react with lanthanide zirconate thermal barrier coatings to form a dense layer, which can resist further corrosion« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010OptMa..32.1139Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010OptMa..32.1139Y"><span>The affects of doping Eu 3+ on structures and morphology of ZrO 2 nanocrystals</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yu, Lixin; Liu, Hai; Nogami, Masayuki</p> <p>2010-07-01</p> <p>The ZrO 2 and ZrO 2:Eu 3+ nanocrystals (NCs) were prepared by a hydrothermal method. The samples were sintered at different temperatures (500, 800 and 1100 °C). The results indicate that the Eu 3+ ions affect not only the structures of hosts (ZrO 2), but also the morphology of hosts. The shape of ZrO 2:Eu 3+ NCs heated at 1100 °C is the one-dimensional nanorod, while is the zero-dimensional nanoparticle for pure ZrO 2 samples sintered at the same temperature. The excitation and emission spectra of ZrO 2:Eu 3+ NCs were studied. In excitation spectra, the charge transfer band of Eu 3+ in ZrO 2 NCs heated at 1100 °C evidently blue-shifts in comparison with the NCs calcined at 500 and 800 °C. The relative intensity of 5D-7F transitions of Eu 3+ ions and color chromaticity for nanorods are increased in comparison with the nanoparticles.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012JAP...112g3508H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012JAP...112g3508H"><span>On the determination of the glass forming ability of AlxZr1-x alloys using molecular dynamics, Monte Carlo simulations, and classical thermodynamics</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Harvey, Jean-Philippe; Gheribi, Aïmen E.; Chartrand, Patrice</p> <p>2012-10-01</p> <p>In this work, the glass forming ability of Al-Zr alloys is quantified using Monte Carlo (MC) and molecular dynamic (MD) simulations as well as classical thermodynamic calculations. The total energy of each studied structure of the Al-Zr system is described using the modified embedded atom model in the second-nearest-neighbour formalism. The parameterized Al-Zr cross potential which has been extensively validated using available experimental and ab initio data for several solid structures and for the liquid phase is used to evaluate thermodynamic, structural, and physical properties of the glass state and of the fully disordered (FD) face-centered cubic (FCC) solid solution with no short range order (SRO). The local environment of the Al-Zr amorphous phase is identified to be similar to that of a FCC solid structure with short range chemical order. A new approach to model the Gibbs energy of the amorphous phase based on the cluster variation method in the tetrahedron approximation is presented. The Gibbs energy of the fully disordered FCC solid solution with no short range order is determined and compared to the Gibbs energy of the amorphous phase. According to our volumetric and energetic criteria defined in our work to evaluate the possible formation of a glass structure at room temperature and zero pressure, a glass forming range of (0.25≤XZr≤0.75) and of (0.21≤XZr≤0.75) are identified, respectively. All the available quantitative experimental data regarding the amorphization of Al-Zr alloys are compared to the prediction of our MD/MC simulations throughout this study.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5448939','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5448939"><span>On the Effects of Hot Forging and Hot Rolling on the Microstructural Development and Mechanical Response of a Biocompatible Ti Alloy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Okazaki, Yoshimitsu</p> <p>2012-01-01</p> <p>Zr, Nb, and Ta as alloying elements for Ti alloys are important for attaining superior corrosion resistance and biocompatibility in the long term. However, note that the addition of excess Nb and Ta to Ti alloys leads to higher manufacturing cost. To develop low-cost manufacturing processes, the effects of hot-forging and continuous-hot-rolling conditions on the microstructure, mechanical properties, hot forgeability, and fatigue strength of Ti-15Zr-4Nb-4Ta alloy were investigated. The temperature dependences with a temperature difference (ΔT) from β-transus temperature (Tβ) for the volume fraction of the α- and β-phases were almost the same for both Ti-15Zr-4Nb-4Ta and Ti-6Al-4V alloys. In the α-β-forged Ti-15Zr-4Nb-4Ta alloy, a fine granular α-phase structure containing a fine granular β-phase at grain boundaries of an equiaxed α-phase was observed. The Ti-15Zr-4Nb-4Ta alloy billet forged at Tβ-(30 to 50) °C exhibited high strength and excellent ductility. The effects of forging ratio on mechanical strength and ductility were small at a forging ratio of more than 3. The maximum strength (σmax) markedly increased with decreasing testing temperature below Tβ. The reduction in area (R.A.) value slowly decreased with decreasing testing temperature below Tβ. The temperature dependences of σmax for the Ti-15Zr-4Nb-4Ta and Ti-6Al-4V alloys show the same tendency and might be caused by the temperature difference (ΔT) from Tβ. It was clarified that Ti-15Zr-4Nb-4Ta alloy could be manufactured using the same manufacturing process as for previously approved Ti-6Al-4V alloy, taking into account the difference (ΔT) between Tβ and heat treatment temperature. Also, the manufacturing equivalency of Ti-15Zr-4Nb-4Ta alloy to obtain marketing approval of implants was established. Thus, it was concluded that continuous hot rolling is useful for manufacturing α-β-type Ti alloy.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19740012127','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19740012127"><span>NERVA irradiation program. GTR 23, volume 1: Combined effects of reactor radiation and cryogenic temperature on NERVA structural materials</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Mcdaniel, R. H.; Bradford, E. W.; Lewis, J. H.; Wattier, J. B.</p> <p>1973-01-01</p> <p>Specimens fabricated from structural materials that were candidates for certain NERVA applications were irradiated in liquid nitrogen (LN2), liquid hydrogen (LH2), water, and air. The specimens irradiated in LN2 were stored in LN2 and finally tested in LN2, or at some higher temperature in a few instances. The specimens irradiated in LH2 underwent an unplanned warmup while in storage so this portion of the test was lost; some specimens were tested in LN2 but none were tested in LH2. The Ground Test Reactor was the radiation source. The test specimens consisted mainly of tensile and fracture toughness specimens of several different materials, but other types of specimens such as tear, flexure, springs, and lubricant were also irradiated. Materials tested include Hastelloy X, Al, Ni steel, steel, Be, ZrC, Ti-6Al-4V, CuB, and Ti-5Al-2.5Sn.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_12");'>12</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li class="active"><span>14</span></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_14 --> <div id="page_15" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li class="active"><span>15</span></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="281"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA579638','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA579638"><span>Effect of Substitution (Ta, Al, Ga) on the Conductivity of Li7La3Zr2O12</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>2012-01-30</p> <p>xTax012). Conductivity data was not included in their report. Similarly to Ta, Nb substitution for Zr should also lower the Li content of the LLZO and a...high Li ion conductivity (0.8 mS cm−1 at 298 K) cubic garnet sample has been reported with Nb substitution for Zr by Ohta et al. [15]. However, Ta is...substitution for Zr follows this approach and it is desirable for a couple rea- sons. First, Ta is stable relative to Li [13]. Second, Ta substitution</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JMEP...25.1249X','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JMEP...25.1249X"><span>Mechanical Properties and Microstructure of TIG and FSW Joints of a New Al-Mg-Mn-Sc-Zr Alloy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Xu, Guofu; Qian, Jian; Xiao, Dan; Deng, Ying; Lu, Liying; Yin, Zhimin</p> <p>2016-04-01</p> <p>A new Al-5.8%Mg-0.4%Mn-0.25%Sc-0.10%Zr (wt.%) alloy was successfully welded by tungsten inert gas (TIG) and friction stir welding (FSW) techniques, respectively. The mechanical properties and microstructure of the welded joints were investigated by microhardness measurements, tensile tests, and microscopy methods. The results show that the ultimate tensile strength, yield strength, and elongation to failure are 358, 234 MPa, and 27.6% for TIG welded joint, and 376, 245 MPa and 31.9% for FSW joint, respectively, showing high strength and superior ductility. The TIG welded joint fails in the heat-affected zone and the fracture of FSW joint is located in stirred zone. Al-Mg-Mn-Sc-Zr alloy is characterized by lots of dislocation tangles and secondary coherent Al3(Sc,Zr) particles. The superior mechanical properties of the TIG and FSW joints are mainly derived from the Orowan strengthening and grain boundary strengthening caused by secondary coherent Al3(Sc,Zr) nano-particles (20-40 nm). For new Al-Mg-Mn-Sc-Zr alloy, the positive effect from secondary Al3(Sc, Zr) particles in the base metal can be better preserved in FSW joint than in TIG welded joint.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JSSCh.261...62M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JSSCh.261...62M"><span>The Gd-Co-Al system at 870/1070 K as a representative of the rare earth-Co-Al family and new rare-earth cobalt aluminides: Crystal structure and magnetic properties</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Morozkin, A. V.; Garshev, A. V.; Knotko, A. V.; Yapaskurt, V. O.; Mozharivskyj, Y.; Yuan, Fang; Yao, Jinlei; Nirmala, R.; Quezado, S.; Malik, S. K.</p> <p>2018-05-01</p> <p>The Gd-Co-Al system has been investigated at 870/1070 K by X-ray and elemental EDS analyses. The existence of the known compounds Gd2Co3Al9 (Y2Co3Ga9-type), Gd3Co4.5Al11.5 (Gd3Co4.6Al11) (Gd3Ru4Al12-type), Gd3Co6-7.4Al3-1.6 (CeNi3-type), GdCo1.15-0.65Al0.85-1.35 (MgZn2-type), Gd2Co2Al (Mo2NiB2-type) and Gd3Co3.5-3.25Al0.5-0.75 (W3CoB3-type) has been confirmed at 870/1070 K. Structure types have been determined for Gd2Co6Al19 (U2Co6Al19-type), Gd7Co6Al7 (Pr7Co6Al7-type), Gd6Co2-2.21Al1-0.79 (Ho6Co2Ga-type) and Gd14Co3.2Al2.8 (Gd14Co2.58Al3.42 at 970 K) (Lu14Co3In3-type). The structures of Gd6Co2Al, Gd6Co2.21Al0.79 and Gd14Co2.58Al3.42 flux-grown at 970 K have been refined from the single crystal X-ray diffraction data. Additionally, new ternary compounds Gd2Co5.7-5.3Al1.3-1.7 (Er2Co7-type) and Gd58Co20Al22 (unknown type structure) have been identified. Quasi-binary solid solutions were detected for Gd2Co17, GdCo5, Gd2Co7, GdCo3, GdCo2 and GdAl2 at 870/1070 K, while no appreciable solubility was observed for the other binary compounds in the Gd-Co-Al system. Magnetic properties of the Gd2Co3Al9, Gd3Co4.6Al11, Gd7Co6Al7, Gd6Co2.2Al0.8 and Gd14Co2.58Al3.42 compounds have been studied and are presented in this work. Gd6Co2.2Al0.8, Gd3Co4.6Al11, Gd7Co6Al7 and Gd14Co2.58Al3.42 order ferromagnetically, while Gd2Co3Al9 displays antiferromagnetic transition. Additionally, {Y, Sm, Tb - Tm}2Co6Al19 (U2Co6Al19-type), Yb2Co3Al9 (Y2Co3Ga9-type), {Y, Sm, Tm, Yb}3Co4.6Al11 (Gd3Ru4Al12-type) and Tb7Co6Al7 (Pr7Co6Al7-type) compounds have been synthesized and investigated.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JNuM..486..206K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JNuM..486..206K"><span>Thermodynamic evaluation of the solidification phase of molten core-concrete under estimated Fukushima Daiichi nuclear power plant accident conditions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kitagaki, Toru; Yano, Kimihiko; Ogino, Hideki; Washiya, Tadahiro</p> <p>2017-04-01</p> <p>The solidification phases of molten core-concrete under the estimated molten core-concrete interaction (MCCI) conditions in the Fukushima Daiichi Nuclear Power Plant Unit 1 were predicted using the thermodynamic equilibrium calculation tool, FactSage 6.2, and the NUCLEA database in order to contribute toward the 1F decommissioning work and to understand the accident progression via the analytical results for the 1F MCCI products. We showed that most of the U and Zr in the molten core-concrete forms (U,Zr)O2 and (Zr,U)SiO4, and the formation of other phases with these elements is limited. However, the formation of (Zr,U)SiO4 requires a relatively long time because it involves a change in the crystal structure from fcc-(U,Zr)O2 to tet-(U,Zr)O2, followed by the formation of (Zr,U)SiO4 by reaction with SiO2. Therefore, the formation of (Zr,U)SiO4 is limited under quenching conditions. Other common phases are the oxide phases, CaAl2Si2O8, SiO2, and CaSiO3, and the metallic phases of the Fe-Si and Fe-Ni alloys. The solidification phenomenon of the crust under quenching conditions and that of the molten pool under thermodynamic equilibrium conditions in the 1F MCCI progression are discussed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28098440','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28098440"><span>Corrosion Protection of Copper Using Al2O3, TiO2, ZnO, HfO2, and ZrO2 Atomic Layer Deposition.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Daubert, James S; Hill, Grant T; Gotsch, Hannah N; Gremaud, Antoine P; Ovental, Jennifer S; Williams, Philip S; Oldham, Christopher J; Parsons, Gregory N</p> <p>2017-02-01</p> <p>Atomic layer deposition (ALD) is a viable means to add corrosion protection to copper metal. Ultrathin films of Al 2 O 3 , TiO 2 , ZnO, HfO 2 , and ZrO 2 were deposited on copper metal using ALD, and their corrosion protection properties were measured using electrochemical impedance spectroscopy (EIS) and linear sweep voltammetry (LSV). Analysis of ∼50 nm thick films of each metal oxide demonstrated low electrochemical porosity and provided enhanced corrosion protection from aqueous NaCl solution. The surface pretreatment and roughness was found to affect the extent of the corrosion protection. Films of Al 2 O 3 or HfO 2 provided the highest level of initial corrosion protection, but films of HfO 2 exhibited the best coating quality after extended exposure. This is the first reported instance of using ultrathin films of HfO 2 or ZrO 2 produced with ALD for corrosion protection, and both are promising materials for corrosion protection.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22609123-structural-properties-zr-based-bulk-metallic-glasses-subjected-high-pressure-torsion-different-temperatures','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22609123-structural-properties-zr-based-bulk-metallic-glasses-subjected-high-pressure-torsion-different-temperatures"><span>The structural properties of Zr-based bulk metallic glasses subjected to high pressure torsion at different temperatures</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Boltynjuk, E. V., E-mail: boltynjuk@gmail.com; Ubyivovk, E. V.; Kshumanev, A. M.</p> <p>2016-06-17</p> <p>The structural properties of a Zr{sub 62}Cu{sub 22}Al{sub 10}Fe{sub 5}Dy{sub 1} bulk metallic glasses were investigated. Cylindrical rods of the Zr{sub 62}Cu{sub 22}Al{sub 10}Fe{sub 5}Dy{sub 1} BMG were subjected to high pressure torsion at temperatures of 20°C and 150°C. X-ray diffraction, transmission electron microscopy were used to determine peculiarities of the modified structure. Analysis of fracture surfaces, nanohardness measurements were conducted to investigate the influence of structural changes on mechanical behavior of processed samples.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016NatSR...637946G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016NatSR...637946G"><span>High-Entropy Metal Diborides: A New Class of High-Entropy Materials and a New Type of Ultrahigh Temperature Ceramics</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gild, Joshua; Zhang, Yuanyao; Harrington, Tyler; Jiang, Sicong; Hu, Tao; Quinn, Matthew C.; Mellor, William M.; Zhou, Naixie; Vecchio, Kenneth; Luo, Jian</p> <p>2016-11-01</p> <p>Seven equimolar, five-component, metal diborides were fabricated via high-energy ball milling and spark plasma sintering. Six of them, including (Hf0.2Zr0.2Ta0.2Nb0.2Ti0.2)B2, (Hf0.2Zr0.2Ta0.2Mo0.2Ti0.2)B2, (Hf0.2Zr0.2Mo0.2Nb0.2Ti0.2)B2, (Hf0.2Mo0.2Ta0.2Nb0.2Ti0.2)B2, (Mo0.2Zr0.2Ta0.2Nb0.2Ti0.2)B2, and (Hf0.2Zr0.2Ta0.2Cr0.2Ti0.2)B2, possess virtually one solid-solution boride phase of the hexagonal AlB2 structure. Revised Hume-Rothery size-difference factors are used to rationalize the formation of high-entropy solid solutions in these metal diborides. Greater than 92% of the theoretical densities have been generally achieved with largely uniform compositions from nanoscale to microscale. Aberration-corrected scanning transmission electron microscopy (AC STEM), with high-angle annular dark-field and annular bright-field (HAADF and ABF) imaging and nanoscale compositional mapping, has been conducted to confirm the formation of 2-D high-entropy metal layers, separated by rigid 2-D boron nets, without any detectable layered segregation along the c-axis. These materials represent a new type of ultra-high temperature ceramics (UHTCs) as well as a new class of high-entropy materials, which not only exemplify the first high-entropy non-oxide ceramics (borides) fabricated but also possess a unique non-cubic (hexagonal) and layered (quasi-2D) high-entropy crystal structure that markedly differs from all those reported in prior studies. Initial property assessments show that both the hardness and the oxidation resistance of these high-entropy metal diborides are generally higher/better than the average performances of five individual metal diborides made by identical fabrication processing.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2006CoMP..152..639C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2006CoMP..152..639C"><span>Zr diffusion in titanite</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Cherniak, D. J.</p> <p>2006-11-01</p> <p>Chemical diffusion of Zr under anhydrous, pO2-buffered conditions has been measured in natural titanite. The source of diffusant was either zircon powder or a ZrO2-Al2O3-titanite mixture. Experiments were run in sealed silica glass capsules with solid buffers (to buffer at NNO or QFM). Rutherford Backscattering Spectrometry (RBS) was used to measure diffusion profiles. The following Arrhenius parameters were obtained for Zr diffusion parallel to c over the temperature range 753-1,100°C under NNO-buffered conditions: D Zr = 5.33 × 10-7 exp(-325 ± 30 kJ mol-1/RT) m2 s-1 Diffusivities are similar for experiments buffered at QFM. These data suggest that titanite should be moderately retentive of Zr chemical signatures, with diffusivities slower than those for O and Pb in titanite, but faster than those for Sr and the REE. When applied in evaluation of the relative robustness of the recently developed Zr-in-titanite geothermometer (Hayden and Watson, Abstract, 16th V.M. Goldschmidt Conference 2006), these findings suggest that Zr concentrations in titanite will be less likely to be affected by later thermal disturbance than the geothermometer based on Zr concentrations in rutile (Zack et al. in Contrib Mineral Petrol 148:471-488, 2004; Watson et al. in Contrib Mineral. Petrol, 2006), but much less resistant to diffusional alteration subsequent to crystallization than the Ti-in-Zircon geothermometer (Watson and Harrison in Science 308:841-844, 2005).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017ShMeS...3...88G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017ShMeS...3...88G"><span>Properties of Cu-Based Shape-Memory Alloys Prepared by Selective Laser Melting</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gustmann, T.; dos Santos, J. M.; Gargarella, P.; Kühn, U.; Van Humbeeck, J.; Pauly, S.</p> <p>2017-03-01</p> <p>Two shape-memory alloys with the nominal compositions (in wt.%) Cu-11.85Al-3.2Ni-3Mn and Cu-11.35Al-3.2Ni-3Mn-0.5Zr were prepared by selective laser melting (SLM). The parameters were optimised to identify the process window, in which almost fully dense samples can be obtained. Their microstructures were analysed and correlated with the shape-memory behaviour as well as the mechanical properties. Suction-cast specimens were also produced for comparison. Mainly, β 1' martensite forms in all samples, but 0.5 wt.% of Zr stabilises the Y phase (Cu2AlZr), and its morphology depends on the thermal history and cooling rate. After annealing, the Y phase is primarily found at the grain boundaries hampering grain coarsening. Due to the relative high cooling rates applied here, Zr is mostly dissolved in the martensite in the as-prepared samples and it has a grain-refining effect only up to a critical cooling rate. The Zr-containing samples have increased transformation temperatures, and the Y phase seems to be responsible for the jerky martensite-to-austenite transformation. All the samples are relatively ductile because they mostly fracture in a transgranular manner, exhibiting the typical double yielding. Selective laser melting allows the adjustment of the transformation temperatures and the mechanical properties already during processing without the need of a subsequent heat treatment.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhSS...59..385D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhSS...59..385D"><span>Specific features of the atomic structure of metallic layers of multilayered (CoFeZr/SiO2)32 and (CoFeZr/ a-Si)40 nanostructures with different interlayers</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Domashevskaya, E. P.; Guda, A. A.; Chernyshev, A. V.; Sitnikov, V. G.</p> <p>2017-02-01</p> <p>Multilayered nanostructures (MN) were prepared by ion-beam successive sputtering from two targets, one of which was a metallic Co45Fe45Zr10 alloy plate and another target was a quartz (SiO2) or silicon plate on the surface of a rotating glass-ceramic substrate in an argon atmosphere. The Co and Fe K edges X-ray absorption fine structure of XANES in the (CoFeZr/SiO2)32 sample with oxide interlayers was similar to XANES of metallic Fe foil. This indicated the existence in metallic layers of multilayered CoFeZr nanocrystals with a local environment similar to the atomic environment in solid solutions on the base of bcc Fe structure, which is also confirmed by XRD data. XANES near the Co and Fe K edges absorption in another multilayered nanostructure with silicon interlayers (CoFeZr/ a-Si)40 differs from XANES of MN with dielectric SiO2 interlayer, which demonstrates a dominant influence of the Fe-Si and Co-Si bonds in the local environment of 3 d Co and Fe metals when they form CoFeSi-type silicide phases in thinner bilayers of this MN.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013PhDT.......369H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013PhDT.......369H"><span>Design and development of NiTi-based precipitation-strengthened high-temperature shape memory alloys for actuator applications</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Hsu, Derek Hsen Dai</p> <p></p> <p>As a vital constituent in the field of smart materials and structures, shape memory alloys (SMAs) are becoming ever-more important due to their wide range of commercial and industrial applications such as aircraft couplings, orthodontic wires, and eyeglasses frames. However, two major obstacles preventing SMAs from fulfilling their potential as excellent actuator materials are: 1) the lack of commercially-viable SMAs that operate at elevated temperatures, and 2) the degradation of mechanical properties and shape memory behavior due to thermal cyclic fatigue. This research utilized a thermodynamically-driven systems design approach to optimize the desired properties by controlling the microstructure and processing of high-temperature SMAs (HTSMAs). To tackle the two aforementioned problems with HTSMAs, the introduction of Ni2TiAl coherent nanoprecipitates in a Ni-Ti-Zr/Hf HTSMA matrix is hypothesized to strengthen the martensite phase while simultaneously increasing the transformation temperature. Differential scanning calorimetry (DSC) was used to determine the transformation temperatures and thermal cyclic stability of each alloy. Also, microstructural characterization was performed using X-ray diffraction (XRD), optical microscopy (OM), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and atom probe tomography (APT). Lastly, compression testing was used to assess the mechanical behavior of the alloys. From the investigation of the first set of Ni48.5Ti31.5-X Zr20AlX (X = 0, 1, 2, 3) prototype alloys, Al addition was found to decrease the transformation temperatures, decrease the thermal cyclic stability, but also increase the strength due to the nucleation and growth of embrittling NiTi2 and NiTiZr Laves phases. However, the anticipated Heusler phase precipitation did not occur. The next study focused on Ni50Ti30-XHf20Al X (X = 0, 1, 2, 3, 4, 5) prototype alloys which replaced Zr with Hf to avoid the formation of brittle Laves phases. Heusler precipitation was successfully demonstrated in the aged 4 and 5% Al alloys, but no transformation was detected. Finally, the last investigation explored the potential of high transformation temperatures in Ni50Ti25-XHf25AlX and Ni50Ti20-XHf30AlX (X = 0, 1, 2, 3, 4, 5) prototype alloys. The final design was narrowed down to a Ni 50Ti20Hf25Al5 alloy aged at 800°C that is expected to exhibit high transformation temperatures while concurrently strengthened by Heusler nanoprecipitates.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017SRL....24S0003W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017SRL....24S0003W"><span>Surface Characterization of ZrO2/Zr Coating on Ti6Al4V and IN VITRO Evaluation of Corrosion Behavior and Biocompatibility</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wang, Ruoyun; Sun, Yonghua; He, Xiaojing; Gao, Yuee; Yao, Xiaohong</p> <p></p> <p>Biocompatibility is crucial for implants. In recent years, numerous researches were conducted aiming to modify titanium alloys, which are the most extensively used materials in orthopedic fields. The application of zirconia in the biomedical field has recently been explored. In this study, the biological ZrO2 coating was synthesized on titaniumalloy (Ti6Al4V) substrates by a duplex-treatment technique combining magnetron sputtering with micro-arc oxidation (MAO) in order to further improve the corrosion resistance and biocompatibility of Ti6Al4V alloys. The microstructures and phase constituents of the coatings were characterized by scanning electron microscope (SEM) equipped with energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD), the surface wettability was evaluated by contact angle measurements. The results show that ZrO2 coatings are porous with pore sizes less than 2μm and consist predominantly of the tetragonal ZrO2 (t-ZrO2) and cubic ZrO2(c-ZrO2) phase. Electrochemical tests indicate that the corrosion rate of Ti6Al4V substrates is appreciably reduced after surface treatment in the phosphate buffer saline (PBS). In addition, significantly improved cell adhesion and growth were observed from the ZrO2/Zr surface. Therefore, the hybrid approach of magnetron sputtering and MAO provides a surface modification for Ti6Al4V to achieve acceptable corrosion resistance and biocompatibility.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017MS%26E..175a2031C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017MS%26E..175a2031C"><span>Effect of composition and calcination temperature of ceria-zirconia-alumina mixed oxides on catalytic performances of ethanol conversion</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Chuklina, S. G.; Maslenkova, S. A.; Pylinina, A. I.; Podzorova, L. I.; Ilyicheva, A. A.</p> <p>2017-02-01</p> <p>In the present study, we investigated the effect of preparation method, phase composition and calcination temperature of the (Ce-TZP) - Al2O3 mixed oxides on their structural features and catalytic performance in ethanol conversion. Ceria-zirconia-alumina mixed oxides with different (Ce+Zr)/Al atomic ratios were prepared via sol-gel method. Catalytic activity and selectivity were investigated for ethanol conversion to acetaldehyde, ethylene and diethyl ether.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1998MM......4..135L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1998MM......4..135L"><span>Effects of Zr on microstructure and mechanical properties of Al-Cu base ribbons spun by planar flow casting</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Lee, S. M.; Hong, C. P.</p> <p>1998-04-01</p> <p>The effects of the Zr addition on the solidification behavior and mechanical properties of the AI-Cu alloy ribbon have been investigated. Zr addition reduced the average grain size of the ribbon at the wheel-side surface, and promoted the microstructural transition into cellular/dendritic structure. Another noteworthy effect of Zr was the homogenization of the microstructure. The addition of Zr up to 0.5 wt.% in the /U-4.3 wt.% Cu ribbon resulted in a considerable increase in hardness at both the wheel-side and the air-side surfaces. The yield strength increased with the addition of Zr due to the grain refincment and more homogeneous distribution of ZrAI, particles. despite no noticeable improvement of the ductility.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016NatSR...630674H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016NatSR...630674H"><span>Liquid-solid joining of bulk metallic glasses</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Huang, Yongjiang; Xue, Peng; Guo, Shu; Wu, Yang; Cheng, Xiang; Fan, Hongbo; Ning, Zhiliang; Cao, Fuyang; Xing, Dawei; Sun, Jianfei; Liaw, Peter K.</p> <p>2016-07-01</p> <p>Here, we successfully welded two bulk metallic glass (BMG) materials, Zr51Ti5Ni10Cu25Al9 and Zr50.7Cu28Ni9Al12.3 (at. %), using a liquid-solid joining process. An atomic-scale metallurgical bonding between two BMGs can be achieved. The interface has a transition layer of ~50 μm thick. The liquid-solid joining of BMGs can shed more insights on overcoming their size limitation resulting from their limited glass-forming ability and then promoting their applications in structural components.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4965749','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4965749"><span>Liquid-solid joining of bulk metallic glasses</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Huang, Yongjiang; Xue, Peng; Guo, Shu; Wu, Yang; Cheng, Xiang; Fan, Hongbo; Ning, Zhiliang; Cao, Fuyang; Xing, Dawei; Sun, Jianfei; Liaw, Peter K.</p> <p>2016-01-01</p> <p>Here, we successfully welded two bulk metallic glass (BMG) materials, Zr51Ti5Ni10Cu25Al9 and Zr50.7Cu28Ni9Al12.3 (at. %), using a liquid-solid joining process. An atomic-scale metallurgical bonding between two BMGs can be achieved. The interface has a transition layer of ~50 μm thick. The liquid-solid joining of BMGs can shed more insights on overcoming their size limitation resulting from their limited glass-forming ability and then promoting their applications in structural components. PMID:27471073</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27471073','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27471073"><span>Liquid-solid joining of bulk metallic glasses.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Huang, Yongjiang; Xue, Peng; Guo, Shu; Wu, Yang; Cheng, Xiang; Fan, Hongbo; Ning, Zhiliang; Cao, Fuyang; Xing, Dawei; Sun, Jianfei; Liaw, Peter K</p> <p>2016-07-29</p> <p>Here, we successfully welded two bulk metallic glass (BMG) materials, Zr51Ti5Ni10Cu25Al9 and Zr50.7Cu28Ni9Al12.3 (at. %), using a liquid-solid joining process. An atomic-scale metallurgical bonding between two BMGs can be achieved. The interface has a transition layer of ~50 μm thick. The liquid-solid joining of BMGs can shed more insights on overcoming their size limitation resulting from their limited glass-forming ability and then promoting their applications in structural components.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1361545-liquid-solid-joining-bulk-metallic-glasses','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1361545-liquid-solid-joining-bulk-metallic-glasses"><span>Liquid-solid joining of bulk metallic glasses</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Huang, Yongjiang; Xue, Peng; Guo, Shu; ...</p> <p>2016-07-29</p> <p>Here, we successfully welded two bulk metallic glass (BMG) materials, Zr 51Ti 5Ni 10Cu 25Al 9 and Zr 50.7Cu 28Ni 9Al 12.3 (at. %), using a liquid-solid joining process. An atomic-scale metallurgical bonding between two BMGs can be achieved. The interface has a transition layer of ~50 μm thick. In conclusion, the liquid-solid joining of BMGs can shed more insights on overcoming their size limitation resulting from their limited glass-forming ability and then promoting their applications in structural components.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1036456','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1036456"><span>A first-principles density functional theory study of the electronic structural and thermodynamic properties of M2ZrO3 and M2CO3 (M=Na, K) and their capabilities for CO2 capture</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Yuhua Duan</p> <p>2012-01-01</p> <p>Alkali metal zirconates could be used as solid sorbents for CO{sub 2} capture. The structural, electronic, and phonon properties of Na{sub 2}ZrO{sub 3}, K{sub 2}ZrO{sub 3}, Na{sub 2}CO{sub 3}, and K{sub 2}CO{sub 3} are investigated by combining the density functional theory with lattice phonon dynamics. The thermodynamics of CO{sub 2} absorption/desorption reactions of these two zirconates are analyzed. The calculated results show that their optimized structures are in a good agreement with experimental measurements. The calculated band gaps are 4.339 eV (indirect), 3.641 eV (direct), 3.935 eV (indirect), and 3.697 eV (direct) for Na{sub 2}ZrO{sub 3}, K{sub 2}ZrO{sub 3}, Na{submore » 2}CO{sub 3}, and K{sub 2}CO{sub 3}, respectively.The calculated phonon dispersions and phonon density of states for M{sub 2}ZrO{sub 3} and M{sub 2}CO{sub 3} (M = K, Na, Li) revealed that from K to Na to Li, their frequency peaks are shifted to high frequencies due to the molecular weight decreased from K to Li. From the calculated reaction heats and relationships of free energy change versus temperatures and CO{sub 2} pressures of the M{sub 2}ZrO{sub 3} (M = K, Na, Li) reacting with CO{sub 2}, we found that the performance of Na{sub 2}ZrO{sub 3} capturing CO{sub 2} is similar to that of Li{sub 2}ZrO{sub 3} and is better than that of K{sub 2}ZrO{sub 3}. Therefore, Na{sub 2}ZrO{sub 3} and Li{sub 2}ZrO{sub 3} are good candidates of high temperature CO{sub 2} sorbents and could be used for post combustion CO{sub 2} capture technologies.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2011JAP...110i3506Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2011JAP...110i3506Z"><span>Atomic structure and transport properties of Cu50Zr45Al5 metallic liquids and glasses: Molecular dynamics simulations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zhang, Y.; Mattern, N.; Eckert, J.</p> <p>2011-11-01</p> <p>We have simulated the atomic structure and the transport properties of Cu50Zr45Al5 metallic liquids and glasses within a wide cooling temperature range from 2000 to 300 K, using molecular dynamics simulations. High fractions of Cu- and Al-centered full icosahedra and Zr-centered icosahedra-like clusters have been detected in both supercooled liquids and glasses. The heat capacity and linear thermal expansion coefficients of both liquids and glasses are also calculated, which have not been reported for this off-eutectic composition previously. The critical temperature (Tc) of Cu50Zr45Al5 liquids is determined to be 874.7 K by investigating the self-diffusivity using the mode coupling theory. A dynamics cross-over is detected in the vicinity of Tc, which can be reflected by different diffusion mechanisms and a remarkable deviation from the Einstein-Stokes relation. The results further suggest a fragile to strong transition of Cu50Zr45Al5 liquids between 1500 K and 1300 K upon cooling, which may result from a drastic increase of stable clusters within this temperature range.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_13");'>13</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li class="active"><span>15</span></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_15 --> <div id="page_16" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li class="active"><span>16</span></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="301"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/12397478','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/12397478"><span>Chemical solution-deposited PbZr 0.53 Ti 0.47 O3 on La 0.5 Sr 0.5 Co O3. SIMS investigation of the effect of different precursor additives on the layer structure.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Pollak, C; Malic, B; Kosec, M; Javoric, S; Hutter, H</p> <p>2002-10-01</p> <p>Chemical solution-deposited thin films of PbZr(0.53)Ti(0.47)O(3)/La(0.5)Sr(0.5)CoO(3) on Pt/TiO(2)/SiO(2)/Si substrates have been investigated by dynamic SIMS. The PbZr(0.53)Ti(0.47)O(3) (PZT) is intended to serve as a ferroelectric layer for microelectronic or microelectromechanical applications; conducting La(0.5)Sr(0.5)CoO(3) (LSCO) is a buffer layer intended to eliminate fatigue effects which usually occur at the Pt/PZT interface. Depth profiles of the main components were obtained and revealed that significant diffusion occurred during the deposition and crystallisation processes. Two types of sample, with different thickness of PZT and different types of poly(vinyl alcohol) (PVA) added to the LSCO precursor, were investigated.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22103106','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22103106"><span>Fabrication of SiO2@ZrO2@Y2O3:Eu3+ core-multi-shell structured phosphor.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Gao, Xuan; He, Diping; Jiao, Huan; Chen, Juan; Meng, Xin</p> <p>2011-08-01</p> <p>ZrO2 interface was designed to block the reaction between SiO2 and Y2O3 in SiO2@Y2O3:Eu coreshell structure phosphor. SiO2@ZrO2@Y2O3:Eu core-multi-shell phosphors were successfully synthesized by combing an LBL method with a Sol-gel process. Based on electron microscopy, X-ray diffraction, and spectroscopy experiments, compelling evidence for the formation of the Y2O3:Eu outer shell on ZrO2 were presented. The presence of ZrO2 layer on SiO2 core can block the reaction of SiO2 core and Y2O3 shell effectively. By this kind of structure, the reaction temperature of the SiO2 core and Y2O3 shell in the SiO2@Y2O3:Eu core-shell structure phosphor can be increased about 200-300 degrees C and the luminescent intensity of this structure phosphor can be improved obviously. Under the excitation of ultraviolet (254 nm), the Eu3+ ion mainly shows its characteristic red (611 nm, 5D0-7F2) emissions in the core-multi-shell particles from Y2O3:Eu3+ shells. The emission intensity of Eu3+ ions can be tuned by the annealing temperatures, the number of coating times, and the thickness of ZrO2 interface, respectively.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013JMMM..346...74C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013JMMM..346...74C"><span>Magnetic properties enhancement of melt spun CoZrB ribbons by elemental substitutions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Chang, H. W.; Tsai, C. F.; Hsieh, C. C.; Shih, C. W.; Chang, W. C.; Shaw, C. C.</p> <p>2013-11-01</p> <p>Effect of elemental substitution of M (M=C, Cu, Ga, Al and Si) for Zr on the magnetic properties, phase evolution, and microstructure of melt spun Co80Zr18-xMxB2 (x=0-2) ribbons have been investigated. The x-ray diffraction (XRD) and thermal magnetic analysis (TMA) results showed that two magnetically soft phases, namely fcc-Co and Co23Zr6, coexisted with hard phase Co5Zr in Co80Zr17M1B2 ribbons with M=Cu, Ga, Al and Si, while an extra unknown magnetic phase was present in ribbons with M=C. The ribbons with M=C and Si were found to improve the remanence (σr) of the Co80Zr17M1B2 ribbons. However, only M=Si could improve the whole magnetic properties, including Br, intrinsic coercivity (iHc) and energy product ((BH)max) of the above ribbons. The optimal magnetic properties of Br=5.2 kG, iHc=4.5 kOe, and (BH)max=5.3 MGOe were obtained in Co80Zr17Si1B2 ribbons, which possessed Co5Zr and minor fcc-Co phases with much finer grain size (10-30 nm) in comparison with its counterpart Co80Zr18B2 (20-60 nm).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26649746','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26649746"><span>Creating Two-Dimensional Electron Gas in Nonpolar/Nonpolar Oxide Interface via Polarization Discontinuity: First-Principles Analysis of CaZrO3/SrTiO3 Heterostructure.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Nazir, Safdar; Cheng, Jianli; Yang, Kesong</p> <p>2016-01-13</p> <p>We studied strain-induced polarization and resulting conductivity in the nonpolar/nonpolar CaZrO3/SrTiO3 (CZO/STO) heterostructure (HS) system by means of first-principles electronic structure calculations. By modeling four types of CZO/STO HS-based slab systems, i.e., TiO2/CaO and SrO/ZrO2 interface models with CaO and ZrO2 surface terminations in each model separately, we found that the lattice-mismatch-induced compressive strain leads to a strong polarization in the CZO film and that as the CZO film thickness increases there exists an insulator-to-metal transition. The polarization direction and critical thickness of the CZO film for forming interfacial metallic states depend on the surface termination of CZO film in both types of interface models. In the TiO2/CaO and SrO/ZrO2 interface models with CaO surface termination, the strong polarization drives the charge transfer from the CZO film to the first few TiO2 layers in the STO substrate, leading to the formation of two-dimensional electron gas (2DEG) at the interface. In the HS models with ZrO2 surface termination, two polarization domains with opposite directions are in the CZO film, which results in the charge transfer from the middle CZO layer to the interface and surface, respectively, leading to the coexistence of the 2DEG on the interface and the two-dimensional hole gas (2DHG) at the middle CZO layer. These findings open a new avenue to achieve 2DEG (2DHG) in perovskite-based HS systems via polarization discontinuity.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1393655-atomic-pair-distribution-function-brazilian-synchrotron-light-laboratory-application-pb1x-laxzr-ferroelectric-system','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1393655-atomic-pair-distribution-function-brazilian-synchrotron-light-laboratory-application-pb1x-laxzr-ferroelectric-system"><span>Atomic pair distribution function at the Brazilian Synchrotron Light Laboratory: application to the Pb 1–x La xZr 0.40Ti 0.60O 3 ferroelectric system</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Saleta, M. E.; Eleotério, M.; Mesquita, A.</p> <p>2017-07-29</p> <p>This work reports the setting up of the X-ray diffraction and spectroscopy beamline at the Brazilian Synchrotron Light Laboratory for performing total scattering experiments to be analyzed by atomic pair distribution function (PDF) studies. The results of a PDF refinement for Al 2O 3 standard are presented and compared with data acquired at a beamline of the Advanced Photon Source, where it is common to perform this type of experiment. A preliminary characterization of the Pb 1–xLa xZr 0.40Ti 0.60O 3 ferroelectric system, withx= 0.11, 0.12 and 0.15, is also shown.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010Litho.118..238S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010Litho.118..238S"><span>Petrogenesis of Mesoproterozoic granitic plutons, eastern Llano Uplift, central Texas, USA</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Smith, R. K.; Gray, Walt; Gibbs, Tyson; Gallegos, M. A.</p> <p>2010-08-01</p> <p>The Llano Uplift of central Texas is a gentle structural dome exposing ˜ 1370 to 1230 Ma metaigneous and metasedimentary rocks of Grenville affinity along the southern margin of Laurentia. The metamorphic rocks were subsequently intruded by ˜ 1119 to 1070 Ma late syn- to post-tectonic granites collectively known as the Town Mountain Granite (TMG). The eastern most of the TMG, the Marble Falls (MF), Kingsland (KL), and Lone Grove (LG) plutons, are metaluminous to marginally peraluminous, high-K, calc-alkaline, ferroan, biotite-calcic amphibole granites [Fe/(Fe + Mg) = 0.71-0.92 and 0.78-0.91 for biotite and calcic amphibole, respectively] displaying distinct variation trends with increasing silica content. They are chemically and texturally zoned and have mineralogical and chemical characteristics similar to A-type granites; i.e., 1) Fe-rich biotites, calcic amphiboles, accessory fluorite, and sporadic rapakivi texture, 2) high K 2O (> 4 wt.%), 3) low Al 2O 3 (< 16 wt.%) and CaO (< 3 wt.%), 4) high Fe/(Fe + Mg), 5) enrichments in Zr, Nb, REE, Ga/Al, and 6) depleted Eu. However, in contrast to typical A-type granites (having low Sr and Ba) the MF, KL,and LG plutons are enriched in Sr and Ba; i.e., up to 229 ppm and 1090 ppm, respectively. On granite discrimination diagrams [(K 2O + Na 2O)/CaO vs. Zr + Nb + Ce + Y (ppm) and Zr (ppm) vs. Ga/Al*10,000] the KL and MF plutons plot within the A-type field, whereas the LG pluton compositions are divided between A-type and fractionated granite fields (I-, S- and M-types). On tectonic discrimination diagrams (Y vs. Nb ) the MF and KL granites plot in the "within-plate" granite field, but the LG pluton plots across several fields including "within-plate" and "volcanic arc plus syn-collisional" fields. Consequently the tectonic classification on a geochemical basis for the LG pluton is unclear. Based on thermal metamorphic mineral assemblages, normative Q-Ab-Or plots, and Q-Ab-Or-H 2O experimental data (Johannes and Holtz, 1996), crystallization temperatures and pressures are estimated to range from 750 to 850 °C and 200 to 500 MPa, respectively. The assemblage of titanite + magnetite + quartz suggests crystallization at low fO2 [confirmed by Fe/(Fe + Mg) vs. [4] Al microprobe analyses of calcic amphibole] and a water content of less than 1.5 wt.% (Wones, 1989). Like other Town Mountain-type plutons, the MF, KL, and LG granites display comparable iron contents at similar alkali and silica enrichments. Melting models (Ba vs. Sr) suggest the MF, KL, and LG plutons may have evolved from the partial melting (anatexis) of juvenile, tonalitic, lower crustal rocks, followed by plagioclase and pyroxene dominated fractionation. Nd isotopic data for the MF pluton ( ɛNd = + 3.4 at 1.06 Ga; Patchett and Ruiz, 1989) and whole-rock δ18O values for the MF, KL, and LG plutons (+ 7.0 < δ 18O >+10.1‰; Rangel et al., 2008) suggest that the magmas in the eastern Llano Uplift may contain a significant mantle component, whereas relatively high δ18O values (+ 9.3 to + 9.7‰; Bebout and Carlson, 1986) for other coeval TMG rocks suggest that a significant crustal component is involved. Whole-rock and trace-element chemistry indicate that the MF and KL plutons, along with the coarser grained textures of the LG pluton, are 'A-type' granites. However, with no coeval mafic dikes, syenitic compositions, or volcanic rocks it is clear that the TMG plutons do not represent anorogenic granites. The available evidence is most compatible with emplacement of the TMG plutons in a post-orogenic (Grenville), relaxation and extensional (i.e., slab breakoff) setting.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017ApSS..394..231O','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017ApSS..394..231O"><span>Oxidant effect of La(NO3)3·6H2O solution on the crystalline characteristics of nanocrystalline ZrO2 films grown by atomic layer deposition</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Oh, Nam Khen; Kim, Jin-Tae; Kang, Goru; An, Jong-Ki; Nam, Minwoo; Kim, So Yeon; Park, In-Sung; Yun, Ju-Young</p> <p>2017-02-01</p> <p>Nanocrystalline ZrO2 films were synthesized by atomic layer deposition method using CpZr[N(CH3)2]3 (Cp = C5H5) as the metal precursor and La(NO3)3·6H2O solution as the oxygen source. La element in the deposited ZrO2 films could not be detected as its content was below the resolution limit of the X-ray photoelectron spectroscopy. The alternative introduction of La(NO3)3·6H2O solution to conventionally used H2O as the oxidant effectively altered the crystalline structure, grain size, and surface roughness of the grown ZrO2 films. Specifically, the crystalline structure of the ZrO2 film changed from a mixture of tetragonal and monoclinic phases to monoclinic phase. The average grain size also increased, and the resulting film surface became rougher. The average grain sizes of the ZrO2 films prepared from La(NO3)3·6H2O solution at concentrations of 10, 20, 30, and 40% were 280, 256, 208, and 200 nm, respectively, whereas that prepared using H2O oxidant was 142 nm. However, the concentration of La(NO3)3·6H2O solution minimally influenced the crystalline characteristics of the nanocrystalline ZrO2 films i.e., the crystalline structure, grain size, and surface roughness except for crystallite size.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/10119308','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/10119308"><span>Studies of high temperature ternary phases in mixed-metal-rich early transition metal sulfide and phosphide systems</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Marking, Gregory Allen</p> <p>1994-01-04</p> <p>Investigations of ternary mixed early transition metal-rich sulfide and phosphide systems resulted in the discovery of new structures and new phases. A new series of Zr and Hf - group V transition metal - sulfur K-phases was synthesized and crystallographically characterized. When the group V transition metal was Nb or Ta, the unit cell volume was larger than any previously reported K-phase. The presence of adventitious oxygen was determined in two K-phases through a combination of neutron scattering and X-ray diffraction experiments. A compound Hf 10Ta 3S 3 was found to crystallize in a new-structure type similar to the knownmore » gamma brasses. This structure is unique in that it is the only reported "stuffed" gamma-brass type structure. The metal components, Hf and Ta, are larger in size and more electropositive than the metals found in normal gamma brasses (e.g. Cu and Zn) and because of the larger metallic radii, sulfur can be incorporated into the structure where it plays an integral role in stabilizing this phase relative to others. X-ray single-crystal, X-ray powder and neutron powder refinements were performed on this structure. A new structure was found in the ternary Nb-Zr-P system which has characteristics in common with many known early transition metal-rich sulfides, selenides, and phosphides. This structure has the simplest known interconnection of the basic building blocks known for this structural class. Anomalous scattering was a powerful tool for differentiating between Zr and Nb when using Mo Kα X-radiation. The compounds ZrNbP and HfNbP formed in the space group Prima with the simple Co 2Si structure which is among the most common structures found for crystalline solid materials. Solid solution compounds in the Ta-Nb-P, Ta-Zr-P, Nb-Zr-P, Hf-Nb-P, and Hf-Zr-S systems were crystallographically characterized. The structural information corroborated ideas about bonding in metal-rich compounds.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1298389-nanomineralogy-new-dimension-understanding-elusive-geochemical-processes-soils-case-low-solubility-index-elements','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1298389-nanomineralogy-new-dimension-understanding-elusive-geochemical-processes-soils-case-low-solubility-index-elements"><span>Nanomineralogy as a new dimension in understanding elusive geochemical processes in soils: The case of low-solubility-index elements</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Schindler, Michael; Hochella, Michael F.</p> <p>2016-05-20</p> <p>Nanomineralogy is a new dimension in understanding chemical processes in soils. These processes are revealed at the nanoscale within the structures and compositions of phases that heretofore were not even known to exist in the soils in which they are found. The discovery and understanding of soil chemistry in this way is best accessible via a combination of focused ion beam technology (for sample preparation) and high resolution, analytical transmission electron microscopy (for phase identification). We have used this scientific framework and these techniques to decipher past and present chemical processes in a soil in Sudbury, Ontario, Canada that hasmore » been impacted by both smelter contamination (acidification) and subsequent remediation within the past century. In this study, we use these methods to investigate mobilization and sequestration of the relatively immobile elements Al, Ti and Zr. In a micrometer-thick alteration layer on an albite grain, a first generation of clay minerals represents weathering of the underlying mineral prior to the acidification of the soils. Complex assemblages of Ti- and Zr-bearing nanophases occur on the surfaces of Fe-(hydr)oxide crystals and are the result of the dissolution of silicates and oxides and the mobilization of Ti- and Zr-bearing colloids under acidic conditions. These phases include anatase (TiO2), kleberite (Fe3+Ti6O11(OH)5) Ti4O7, baddelyite (ZrO2), a structural analogue to kelyshite (NaZr[Si2O6(OH)]) and authigenic zircon (ZrSiO4). Subsequent remediation of the acidic soils has resulted in the sequestration of Al and in the neoformation of the clay minerals kaolinite, smectite and illite. These complex mineral assemblages form a porous layer that controls the interaction of the underlying mineral with the environment.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015ApSS..352..169P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015ApSS..352..169P"><span>The influence of ZrO2/20%Y2O3 and Al2O3 deposited coatings to the behavior of an aluminum alloy subjected to mechanical shock</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Pintilei, G. L.; Crismaru, V. I.; Abrudeanu, M.; Munteanu, C.; Luca, D.; Istrate, B.</p> <p>2015-10-01</p> <p>Aluminum alloys are used in the aerospace industry due to their good mechanical properties and their low density compared with the density of steels. Usually the parts made of aluminum alloys contribute to the structural frame of aircrafts and they must withstand static and variable mechanical loads and also mechanical loads applied in a very short time which determine different phenomenon's in the material behavior then static or fatigue loads. This paper analysis the resilience of a 2024 aluminum alloy subjected to shock loads and the way how a coating can improve its behavior. For improving the behavior two coatings were considered: Al2O3 with 99.5% purity and ZrO2/20%Y2O3. The coatings were deposited on the base material by plasma spraying. The samples with and without coating were subject to mechanical shock to determine the resilience of the materials and the cracks propagation was investigated using SEM analysis. To highlight the physical phenomenon's that appear in the samples during the mechanical shock, explicit finite element analysis were done using Ansys 14.5 software.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1337195-single-site-cobalt-catalysts-new-zr-oh-metal-organic-framework-nodes-highly-active-hydrogenation-alkenes-imines-carbonyls-heterocycles','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1337195-single-site-cobalt-catalysts-new-zr-oh-metal-organic-framework-nodes-highly-active-hydrogenation-alkenes-imines-carbonyls-heterocycles"><span></span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Ji, Pengfei; Manna, Kuntal; Lin, Zekai</p> <p></p> <p>We report here the synthesis of robust and porous metal–organic frameworks (MOFs), M-MTBC (M = Zr or Hf), constructed from the tetrahedral linker methane-tetrakis(p-biphenylcarboxylate) (MTBC) and two types of secondary building units (SBUs): cubic M 8(μ 2-O) 8(μ 2-OH) 4 and octahedral M6(μ 3-O) 4(μ 3-OH) 4. While the M 6-SBU is isostructural with the 12-connected octahedral SBUs of UiO-type MOFs, the M 8-SBU is composed of eight MIV ions in a cubic fashion linked by eight μ 2-oxo and four μ 2-OH groups. The metalation of Zr-MTBC SBUs with CoCl 2, followed by treatment with NaBEt 3H, afforded highlymore » active and reusable solid Zr-MTBC-CoH catalysts for the hydrogenation of alkenes, imines, carbonyls, and heterocycles. Zr-MTBC-CoH was impressively tolerant of a range of functional groups and displayed high activity in the hydrogenation of tri- and tetra-substituted alkenes with TON > 8000 for the hydrogenation of 2,3-dimethyl-2-butene. Our structural and spectroscopic studies show that site isolation of and open environments around the cobalt-hydride catalytic species at Zr 8-SBUs are responsible for high catalytic activity in the hydrogenation of a wide range of challenging substrates. MOFs thus provide a novel platform for discovering and studying new single-site base-metal solid catalysts with enormous potential for sustainable chemical synthesis.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/12962670','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/12962670"><span>Application of the method of images on electrostatic phenomena in aqueous Al2O3 and ZrO2 suspensions.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Cordelair, Jens; Greil, Peter</p> <p>2003-09-15</p> <p>A new solution for the Poisson equation for the diffuse part of the double layer around spherical particles will be presented. The numerical results are compared with the solution of the well-known DLVO theory. The range of the diffuse layer differs considerably in the two theories. Also, the inconsistent representation of the surface and diffuse layer charge in the DLVO theory do not occur in the new theory. Experimental zeta potential measurements were used to determine the charge of colloidal Al2O3 and ZrO2 particles. It is shown that the calculated charge can be interpreted as a superposition of independent H+ and OH- adsorption isotherms. The corresponding Langmuir adsorption isotherms are taken to model the zeta potential dependence on pH. In the vicinity of the isoelectric point the model fits well with the experimental data, but at higher ion concentrations considerable deviations occur. The deviations are discussed. Furthermore, the numerical results for the run of the potential in the diffuse part of the double layer were used to determine the electrostatic interaction potential between the particles in correlation with the zeta potential measurements. The corresponding total interaction potentials, including the van der Waals attraction, were taken to calculate the coagulation half-life for a suspension with a particle loading of 2 vol%. It is shown that stability against coagulation is maintained for Al2O3 particles in the pH region between 3.3 and 7 and for ZrO2 only around pH 5. Stability against flocculation can be achieved in the pH regime between 4.5 and 7 for Al2O3, while the examined ZrO2 particles are not stable against flocculation in aqueous suspensions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JNuM..496..286C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JNuM..496..286C"><span>Structural, electronic, elastic and thermodynamic properties of Li2ZrO3: A comprehensive study using DFT formalism</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Chattaraj, D.</p> <p>2017-12-01</p> <p>Lithium zirconate is considered to be potential tritium breeder material for fusion reactors. Here I report a comprehensive study on structural, electronic, elastic, and thermodynamic properties of Li2ZrO3 using plane wave based density functional theory. While the electron-ion interaction term has been described by projected-augmented wave method, the exchange-correlation energy was taken care of through generalized gradient approximation scheme. The optimized lattice and internal parameters of Li2ZrO3 unit cell agree well within ±1-2% from the experimental values. From the electronic structure analysis it is seen that the Fermi energy has significant contribution from the 2s, 2p and 4d orbitals of Li, O and Zr atoms, respectively. Elastic property calculation of Li2ZrO3 showed mechanical stability and anisotropy at ambient pressure. The formation energy (ΔfH) of Li2ZrO3 at 0 K, after zero point energy correction, has been estimated to be -1550 kJ/mol. The temperature dependent thermodynamic functions of Li2ZrO3 have also been calculated from the Debye-Grüneisen quasi-harmonic approximation and reported here.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017RJPCA..91..380F','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017RJPCA..91..380F"><span>A stable solid acid material: Sulfated ZrO2 dispersed on alumina nanotubes</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Feng, Yu; Jiaqi, Chen; Xu, Wang; Rui-Feng, Li</p> <p>2017-02-01</p> <p>A tubular solid acid catalyst was designed by loading sulfated zirconia into γ-Al2O3 nanotubes using the method of stepwise deposition. The XRD, N2 adsorption-desorption characterization demonstrated that introducing alumina nanotube and SO4 2- anions have played an important role in stabilizing the metastable tetragonal ZrO2 phase, and the sulfated zirconia on the surface of the γ-Al2O3 nanotube has high dispersion and stability. The catalyst reused repeatedly possesses large amounts of acid sites and good acidity, exhibiting high catalytic activity and stability for isopropylbenzene cracking.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JNuM..504..261P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JNuM..504..261P"><span>Microstructure and mechanical behavior of Zr substrates coated with FeCrAl and Mo by cold-spraying</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Park, Dong Jun; Kim, Hyun Gil; Jung, Yang Il; Park, Jung Hwan; Yang, Jae Ho; Koo, Yang Hyun</p> <p>2018-06-01</p> <p>FeCrAl and Mo layers were cold-sprayed onto a Zr surface, with the Mo layer introduced between the FeCrAl coating and the Zr matrix preventing high-temperature interdiffusion. Microstructural characterization of the first-deposited Mo layer and the Zr matrix immediately below the Mo/Zr interface was performed using transmission electron microscopy, and near-interface elemental distributions were obtained using energy-dispersive X-ray spectroscopy. The deformation of the coated Mo powder induced the formation of microbands and mechanically interlocked nanoscale structures. The mechanical behavior of Zr with a coating layer was compared with those characteristic of conventional Zr samples. The coated sample showed smaller strength reduction in the test conducted at elevated temperature. The hardness and fracture morphology of the Zr matrix near the interface region were investigated to determine the effect of impacting Mo particles on the matrix microstructure. The enhanced hardness and cleavage fracture morphology of the Zr matrix immediately below the Mo/Zr interface indicated the occurrence of localized deformation owing to Mo particle impact.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22412871-strategy-stabilization-antiferroelectric-phase-pbma-over-metastable-ferroelectric-phase-p2-sub-ma-establish-double-loop-hysteresis-lead-free-nanbo-sub-xsrzro-sub-solid-solution','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22412871-strategy-stabilization-antiferroelectric-phase-pbma-over-metastable-ferroelectric-phase-p2-sub-ma-establish-double-loop-hysteresis-lead-free-nanbo-sub-xsrzro-sub-solid-solution"><span>Strategy for stabilization of the antiferroelectric phase (Pbma) over the metastable ferroelectric phase (P2{sub 1}ma) to establish double loop hysteresis in lead-free (1−x)NaNbO{sub 3}-xSrZrO{sub 3} solid solution</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Guo, Hanzheng, E-mail: hug17@psu.edu; Randall, Clive A.; Shimizu, Hiroyuki</p> <p></p> <p>A new lead-free antiferroelectric solid solution system, (1−x)NaNbO{sub 3}-xSrZrO{sub 3}, was rationalized through noting the crystal chemistry trend, of decreasing the tolerance factor and an increase in the average electronegativity of the system. The SrZrO{sub 3} doping was found to effectively stabilize the antiferroelectric (P) phase in NaNbO{sub 3} without changing its crystal symmetry. Preliminary electron diffraction and polarization measurements were presented which verified the enhanced antiferroelectricity. In view of our recent report of another lead-free antiferroelectric system (1−x)NaNbO{sub 3}-xCaZrO{sub 3} [H. Shimizu et al. “Lead-free antiferroelectric: xCaZrO{sub 3} - (1−x)NaNbO{sub 3} system (0 ≤ x ≤ 0.10),” Dalton Trans.more » (published online)], the present results point to a general strategy of utilizing tolerance factor to develop a broad family of new lead-free antiferroelectrics with double polarization hysteresis loops. We also speculate on a broad family of possible solid solutions that could be identified and tested for this important type of dielectric.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010PhDT........17F','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010PhDT........17F"><span>Hydrogen production from methane using oxygen-permeable ceramic membranes</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Faraji, Sedigheh</p> <p></p> <p>Non-porous ceramic membranes with mixed ionic and electronic conductivity have received significant interest in membrane reactor systems for the conversion of methane and higher hydrocarbons to higher value products like hydrogen. However, hydrogen generation by this method has not yet been commercialized and suffers from low membrane stability, low membrane oxygen flux, high membrane fabrication costs, and high reaction temperature requirements. In this dissertation, hydrogen production from methane on two different types of ceramic membranes (dense SFC and BSCF) has been investigated. The focus of this research was on the effects of different parameters to improve hydrogen production in a membrane reactor. These parameters included operating temperature, type of catalyst, membrane material, membrane thickness, membrane preparation pH, and feed ratio. The role of the membrane in the conversion of methane and the interaction with a Pt/CeZrO2 catalyst has been studied. Pulse studies of reactants and products over physical mixtures of crushed membrane material and catalyst have clearly demonstrated that a synergy exists between the membrane and the catalyst under reaction conditions. The degree of catalyst/membrane interaction strongly impacts the conversion of methane and the catalyst performance. During thermogravimetric analysis, the onset temperature of oxygen release for BSCF was observed to be lower than that for SFC while the amount of oxygen release was significantly greater. Pulse injections of CO2 over crushed membranes at 800°C have shown more CO2 dissociation on the BSCF membrane than the SFC membrane, resulting in higher CO formation on the BSCF membrane. Similar to the CO2 pulses, when CO was injected on the samples at 800°C, CO2 production was higher on BSCF than SFC. It was found that hydrogen consumption on BSCF particles is 24 times higher than that on SFC particles. Furthermore, Raman spectroscopy and temperature programmed desorption studies of CO and CO2 showed a higher CO and CO2 adsorption (for temperatures ranging from room temperature to 600°C) on BSCF compared to the SFC membrane. CO2 reforming reactions on BSCF and SFC dense membranes in a membrane reactor showed higher methane conversion and H2/CO ratio on BSCF than SFC in the presence of the Pt/CeZrO2 catalyst. This high conversion and H2/CO ratio could be ascribed to higher CO, CO2, and H2 adsorption on BSCF than SFC, resulting in higher steam and CO2 reforming on the BSCF. The Pt-Ni/CeZrO2 catalyst exhibits promising performance for hydrogen production. Platinum enhances the reducibility of Ni/Al2O 3 and Ni/CeZrO2 catalysts resulting in improved catalysts for H2 production at moderate temperatures. TPR and Raman studies show an alloy formation in the Pt-Ni/Al2O3 catalyst. Further work is required to study the interaction between Pt and Ni in the bimetallic Pt-Ni/CeZrO2 and Pt-Ni/Al2O3 catalysts. Although the Pt-Ni/Al2O3 catalyst shows high methane conversion in the presence of the BSCF membrane at 800°C, the activity of this catalyst is low at 600°C. Pt-Ni/CeZrO2 bimetallic catalyst demonstrates superior performance compared to Pt-Ni/Al2O3 catalyst at 600°C. The thinner BSCF membrane (2.2 mm) demonstrates a higher methane conversion and H2:CO ratio than the thicker BSCF membrane (2.6 mm) because membrane oxygen flux is inversely proportional to thickness. Varying the pH of the precursor solution during membrane preparation has no significant effect on the oxygen flux or the reaction. The CH 4:CO2 feed ratio significantly affects the hydrogen production over the BSCF membrane. Altering the CH4:CO2 ratio has a direct impact on the oxygen flux, which in turn can influence the reaction pathway. These studies suggest that the Pt-Ni/CeZrO2 catalyst might be suitable for low-temperature hydrocarbon conversion reactions over thin BSCF ceramic membranes. Most importantly, the BSCF membrane can reduce the apparent activation energy of the CO2 reforming reaction by changing the reaction pathway to include more steam reforming.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5507037','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5507037"><span>The Microstructural Evolution and Mechanical Properties of Zr-Based Metallic Glass under Different Strain Rate Compressions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Chen, Tao-Hsing; Tsai, Chih-Kai</p> <p>2015-01-01</p> <p>In this study, the high strain rate deformation behavior and the microstructure evolution of Zr-Cu-Al-Ni metallic glasses under various strain rates were investigated. The influence of strain and strain rate on the mechanical properties and fracture behavior, as well as microstructural properties was also investigated. Before mechanical testing, the structure and thermal stability of the Zr-Cu-Al-Ni metallic glasses were studied with X-ray diffraction (XRD) and differential scanning calorimeter. The mechanical property experiments and microstructural observations of Zr-Cu-Al-Ni metallic glasses under different strain rates ranging from 10−3 to 5.1 × 103 s−1 and at temperatures of 25 °C were investigated using compressive split-Hopkinson bar (SHPB) and an MTS tester. An in situ transmission electron microscope (TEM) nanoindenter was used to carry out compression tests and investigate the deformation behavior arising at nanopillars of the Zr-based metallic glass. The formation and interaction of shear band during the plastic deformation were investigated. Moreover, it was clearly apparent that the mechanical strength and ductility could be enhanced by impeding the penetration of shear bands with reinforced particles. PMID:28788034</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19870010973','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19870010973"><span>Development of powder metallurgy 2XXX series Al alloy plate and sheet materials for high temperature aircraft structural applications, FY 1983/1984</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Chellman, D. J.</p> <p>1985-01-01</p> <p>The objective of this investigation is to fabricate and evaluate PM 2124 Al alloy plate and sheet materials according to NASA program goals for damage tolerance and fatigue resistance. Previous research has indicated the outstanding strength-toughness relationship available with PM 2124 Al-Zr modified alloy compositions in extruded product forms. The range of processing conditions was explored in the fabrication of plate and sheet gage materials, as well as the resultant mechanical and metallurgical properties. The PM composition based on Al-3.70 Cu-1.85 Mg-0.20 Mn with 0.60 wt. pct. Zr was selected. Flat rolled material consisting of 0.250 in. thick plate was fabricated using selected thermal mechanical treatments (TMT). The schedule of TMT operations was designed to yield the extreme conditions of grain structure normally encountered in the fabrication of flat rolled products, specifically recrystallized and unrecrystallized. The PM Al alloy plate and sheet materials exhibited improved strength properties at thin gages compared to IM Al alloys, as a consequence of their enhanced ability to inhibit recrystallization and grain growth. In addition, the PM 2124 Al alloys offer much better combinations of strength and toughnessover equivalent IM Al. The alloy microstructures were examined by optical metallographic texture techniques in order to establish the metallurgical basis for these significant property improvements.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/4783001-synthesis-zri-sub-hfi-sub-haloid-exchange','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/4783001-synthesis-zri-sub-hfi-sub-haloid-exchange"><span>SYNTHESIS OF ZrI$sub 4$ AND HfI$sub 4$ BY HALOID EXCHANGE (in Russian)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Nisel'son, L.A.; Teslitskaya, M.V.; Shvedova, T.A.</p> <p>1962-05-01</p> <p>Syntheses of ZrI/sub 4/ and Hfl/sub 4/ by reactions of ZrCl/sub 4/ with SiI/sub 4/, Al/sub 2/I/sub 6/, HI, and Al/sub 2/Br and HfCl/sub 4/ with Al/sub 2 / I/sub 6/ are analyzed. The highest exchange yield was reached with /sub 4/ from ZrCl/sub 4/ and other admixtures was achieved by distillation. (R.V.J.)</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_14");'>14</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li class="active"><span>16</span></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_16 --> <div id="page_17" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li class="active"><span>17</span></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="321"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22577819-high-pressure-high-temperature-crystal-growth-equiatomic-rare-earth-stannides-renisn-repdsn','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22577819-high-pressure-high-temperature-crystal-growth-equiatomic-rare-earth-stannides-renisn-repdsn"><span>High-pressure high-temperature crystal growth of equiatomic rare earth stannides RENiSn and REPdSn</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Heymann, Gunter; Heying, Birgit; Rodewald, Ute Ch.</p> <p>2016-04-15</p> <p>The two series of equiatomic rare earth (RE) stannides RENiSn and REPdSn were systematically studied with respect to high-pressure modifications. The normal-pressure (NP) low-temperature (LT) modifications were synthesized by arc-melting and subsequently treated under high-pressure (P{sub max}=11.5 GPa) and high-temperature (T{sub max}=1570 K) conditions in a Walker-type multi-anvil press. The pressure and temperature conditions were systematically varied in order to improve the crystallization conditions. The new ZrNiAl-type high-pressure modifications HP-RENiSn (RE=Sc, Y, La, Gd–Lu) and HP-REPdSn (RE=Y, Sm–Dy) were obtained in 80 mg quantities, several of them in X-ray pure form. Some of the REPdSn stannides with the heavy raremore » earth elements show high-temperature (HT) modifications. The structures of HP-ScNiSn, HP-GdNiSn, HP-DyNiSn (both ZrNiAl-type), NP-YbNiSn, and HT-ErPdSn (both TiNiSi-type) were refined from single crystal diffractometer data, indicating full ordering of the transition metal and tin sites. TiNiSi-type NP-EuPdSn transforms to MgZn{sub 2}-type HP-EuPdSn: P6{sub 3}/mmc, a=588.5(2), c=917.0(3) pm, wR2=0.0769, 211 F{sup 2} values, 11 variables. The structure refinement indicated statistical occupancy of the palladium and tin sites on the tetrahedral network. The X-ray pure high-pressure phases were studied with respect to their magnetic properties. HP-YPdSn is a Pauli paramagnet. The susceptibility data of HP-TbNiSn, HP-DyNiSn, HP-GdPdSn, and HP-TbPdSn show experimental magnetic moments close to the free ion values of RE{sup 3+} and antiferromagnetic ordering at low temperature with the highest Néel temperature of 15.8 K for HP-TbPdSn. HP-SmPdSn shows the typical Van Vleck type behavior along with antiferromagnetic ordering at T{sub N}=5.1 K. HP-EuPdSn shows divalent europium and antiferromagnetic ordering at 8.9 K followed by a spin reorientation at 5.7 K. - Graphical abstract: Packing of the polyhedra in the high-pressure phase of EuPdSn. - Highlights: • High-pressure phases of the stannides RENiSn and REPdSn. • Crystal growth conditions. • Pressure- and temperature-driven phase transitions. • Magnetic properties.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010JNuM..402...38L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010JNuM..402...38L"><span>Glass-ceramic nuclear waste forms obtained by crystallization of SiO 2-Al 2O 3-CaO-ZrO 2-TiO 2 glasses containing lanthanides (Ce, Nd, Eu, Gd, Yb) and actinides (Th): Study of the crystallization from the surface</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Loiseau, P.; Caurant, D.</p> <p>2010-07-01</p> <p>Glass-ceramic materials containing zirconolite (nominally CaZrTi 2O 7) crystals in their bulk can be envisaged as potential waste forms for minor actinides (Np, Am, Cm) and Pu immobilization. In this study such matrices are synthesized by crystallization of SiO 2-Al 2O 3-CaO-ZrO 2-TiO 2 glasses containing lanthanides (Ce, Nd, Eu, Gd, Yb) and actinides (Th) as surrogates. A thin partially crystallized layer containing titanite and anorthite (nominally CaTiSiO 5 and CaAl 2Si 2O 8, respectively) growing from glass surface is also observed. The effect of the nature and concentration of surrogates on the structure, the microstructure and the composition of the crystals formed in the surface layer is presented in this paper. Titanite is the only crystalline phase able to significantly incorporate trivalent lanthanides whereas ThO 2 precipitates in the layer. The crystal growth thermal treatment duration (2-300 h) at high temperature (1050-1200 °C) is shown to strongly affect glass-ceramics microstructure. For the system studied in this paper, it appears that zirconolite is not thermodynamically stable in comparison with titanite growing form glass surface. Nevertheless, for kinetic reasons, such transformation (i.e. zirconolite disappearance to the benefit of titanite) is not expected to occur during interim storage and disposal of the glass-ceramic waste forms because their temperature will never exceed a few hundred degrees.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015ApSS..358..660C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015ApSS..358..660C"><span>Optical properties of zirconium oxynitride films: The effect of composition, electronic and crystalline structures</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Carvalho, P.; Borges, J.; Rodrigues, M. S.; Barradas, N. P.; Alves, E.; Espinós, J. P.; González-Elipe, A. R.; Cunha, L.; Marques, L.; Vasilevskiy, M. I.; Vaz, F.</p> <p>2015-12-01</p> <p>This work is devoted to the investigation of zirconium oxynitride (ZrOxNy) films with varied optical responses prompted by the variations in their compositional and structural properties. The films were prepared by dc reactive magnetron sputtering of Zr, using Ar and a reactive gas mixture of N2 + O2 (17:3). The colour of the films changed from metallic-like, very bright yellow-pale and golden yellow, for low gas flows to red-brownish for intermediate gas flows. Associated to this colour change there was a significant decrease of brightness. With further increase of the reactive gas flow, the colour of the samples changed from red-brownish to dark blue or even to interference colourations. The variations in composition disclosed the existence of four different zones, which were found to be closely related with the variations in the crystalline structure. XRD analysis revealed the change from a B1 NaCl face-centred cubic zirconium nitride-type phase for films prepared with low reactive gas flows, towards a poorly crystallized over-stoichiometric nitride phase, which may be similar to that of Zr3N4 with some probable oxygen inclusions within nitrogen positions, for films prepared with intermediate reactive gas flows. For high reactive gas flows, the films developed an oxynitride-type phase, similar to that of γ-Zr2ON2 with some oxygen atoms occupying some of the nitrogen positions, evolving to a ZrO2 monoclinic type structure within the zone where films were prepared with relatively high reactive gas flows. The analysis carried out by reflected electron energy loss spectroscopy (REELS) revealed a continuous depopulation of the d-band and an opening of an energy gap between the valence band (2p) and the Fermi level close to 5 eV. The ZrN-based coatings (zone I and II) presented intrinsic colourations, with a decrease in brightness and a colour change from bright yellow to golden yellow, red brownish and dark blue. Associated to these changes, there was also a shift of the reflectivity minimum to lower energies, with the increase of the non-metallic content. The samples lying in the two last zones (zone III, oxynitride and zone IV, oxide films) revealed a typical semi-transparent-optical behaviour showing interference-like colourations only due to the complete depopulation of the d band at the Fermi level. The samples lying in these zones presented also an increase of the optical bandgap from 2 to 3.6 eV.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/1981mgfm.rept.....M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/1981mgfm.rept.....M"><span>Development of selective solar absorbers on the basis of aluminum roll-bond heat exchangers</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Moeller, M.</p> <p>1981-11-01</p> <p>A deposition technique comparable to two-stage anodizing and especially suited for solar absorber panels, using roll-bond Al 99.5 and AlMnZr alloys as a substrate, was developed. The coating is of the nickel structure filter type and provides average solar absorptivity values of 94% and thermal emission values of 14%. The setup of a production plant capable of coating surfaces up to 2 sq m is described as well as the development of corrosion resistent hermetically sealed collectors. By means of an appropriate surface treatment the same corrosion resistance was achieved for absorbers mounted in ventilated collectors.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2007JaJAP..46L.486Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2007JaJAP..46L.486Y"><span>Electrical Properties of Low Temperature Sintering Step-Down Multilayer Piezoelectric Transformer</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yoo, Juhyun; Kim, Kookjin; Jeong, Yeongho</p> <p>2007-06-01</p> <p>The multilayer structured ceramic transformers were sintered at the low temperature of 940 °C and manufactured with the size of 27 × 27 × 2.2 mm3, respectively, using 0.07Pb(Mn1/3Nb2/3)O3-0.06Pb(Zn1/3Nb2/3)O3-0.87Pb(Zr0.48Ti0.52)O3 (A-type) and 0.07Pb(Mn1/3Nb2/3)O3-0.10Pb(Ni1/3Nb2/3)O3-0.83Pb(Zr0.48Ti0.52)O3 (B-type) composition ceramics. And then, their electrical properties were investigated according to the variations of frequency and load resistance. The voltage step-up ratio of the transformers showed the maximum values at the vicinity of 69 kHz. At the load resistance of 100 Ω, A-type and B-type piezoelectric transformers showed the temperature rises of about 21 °C at the output power of 15 and 18 W, respectively. At B-type transformer with high effective electromechanical coupling factor (keff) and high piezoelectric constant (d33), lower temperature increase was relatively appeared.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27463785','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27463785"><span>Influence of ZrO2, SiO2, Al2O3 and TiO2 nanoparticles on maize seed germination under different growth conditions.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Karunakaran, Gopalu; Suriyaprabha, Rangaraj; Rajendran, Venkatachalam; Kannan, Narayanasamy</p> <p>2016-08-01</p> <p>The focus of this investigation is to evaluate the phytotoxicity of selected metal oxide nanoparticles and microparticles as a function of maize seed germination and root elongation under different growth conditions (Petri plate, cotton and soil). The results of seed germination and root elongation experiments reveal that all the growth conditions show almost similar results. Alumina (Al2O3) and titania (TiO2) nanoparticles significantly reduce the germination percentage, whereas silica (SiO2) nanoparticles and microparticles enhance the same. The results of nanoparticles and microparticles of zirconia (ZrO2) are found to be same as those of controls. Root elongation is enhanced by SiO2 nanoparticles and microparticles treatment, whereas inhibition is observed with Al2O3 and TiO2 nanoparticles and microparticles. The X-ray fluorescence spectrometry data of the treated and control seed samples show that seeds uptake SiO2 particles to a greater extent followed by TiO2, Al2O3 and ZrO2. In addition, the uptake of nanoparticles is found to be greater than that of microparticles. Thus, the tested metal oxides penetrated seeds at the nanoscale as compared with the microscale. This study clarifies phytotoxicity of nanoparticles treated in different growth substrates and highlights the impact of nanoparticles on environment and agricultural systems.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29329260','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29329260"><span>Effects of Zr Addition on Strengthening Mechanisms of Al-Alloyed High-Cr ODS Steels.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Ren, Jian; Yu, Liming; Liu, Yongchang; Liu, Chenxi; Li, Huijun; Wu, Jiefeng</p> <p>2018-01-12</p> <p>Oxide dispersion strengthened (ODS) steels with different contents of zirconium (denoted as 16Cr ODS, 16Cr-0.3Zr ODS and 16Cr-0.6Zr ODS) were fabricated to investigate the effects of Zr on strengthening mechanism of Al-alloyed 16Cr ODS steel. Electron backscatter diffraction (EBSD) results show that the mean grain size of ODS steels could be decreased by Zr addition. Transmission electron microscope (TEM) results indicate that Zr addition could increase the number density but decrease the mean diameter and inter-particle spacing of oxide particles. Furthermore, it is also found that in addition to Y-Al-O nanoparticles, Y-Zr-O oxides with finer size were observed in 16Cr-0.3Zr ODS and 16Cr-0.6Zr ODS steels. These changes in microstructure significantly increase the yield strength (YS) and ultimate tensile strength (UTS) of ODS steels through mechanisms of grain boundary strengthening and dispersion strengthening.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5793616','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5793616"><span>Effects of Zr Addition on Strengthening Mechanisms of Al-Alloyed High-Cr ODS Steels</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Ren, Jian; Yu, Liming; Liu, Yongchang; Liu, Chenxi; Li, Huijun; Wu, Jiefeng</p> <p>2018-01-01</p> <p>Oxide dispersion strengthened (ODS) steels with different contents of zirconium (denoted as 16Cr ODS, 16Cr-0.3Zr ODS and 16Cr-0.6Zr ODS) were fabricated to investigate the effects of Zr on strengthening mechanism of Al-alloyed 16Cr ODS steel. Electron backscatter diffraction (EBSD) results show that the mean grain size of ODS steels could be decreased by Zr addition. Transmission electron microscope (TEM) results indicate that Zr addition could increase the number density but decrease the mean diameter and inter-particle spacing of oxide particles. Furthermore, it is also found that in addition to Y-Al-O nanoparticles, Y-Zr-O oxides with finer size were observed in 16Cr-0.3Zr ODS and 16Cr-0.6Zr ODS steels. These changes in microstructure significantly increase the yield strength (YS) and ultimate tensile strength (UTS) of ODS steels through mechanisms of grain boundary strengthening and dispersion strengthening. PMID:29329260</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19880033537&hterms=fluoride+water&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D10%26Ntt%3Dfluoride%2Bwater','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19880033537&hterms=fluoride+water&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D10%26Ntt%3Dfluoride%2Bwater"><span>Fluoride glass starting materials - Characterization and effects of thermal treatment</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Chen, William; Dunn, Bruce; Shlichta, Paul; Neilson, George F.; Weinberg, Michael C.</p> <p>1987-01-01</p> <p>The production of heavy metal fluoride (HMF) glasses, and the effects of thermal treatments on the HMF glasses are investigated. ZrF4, BaF2, AlF3, LaF3, and NaF were utilized in the synthesis of zirconium-barium-lanthanum-aluminum-sodium fluoride glass. The purity of these starting materials, in particular ZrF4, is evaluated using XRD analysis. The data reveal that low temperature heating of ZrF4-H2O is effective in removing the water of hydration, but causes the production of ZrF4 and oxyfluorides; however, dehydration followed by sublimation results in the production of monoclinic ZrFe without water or oxyfluoride contaminants.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018PhaTr..91..140G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018PhaTr..91..140G"><span>Magnetic phase transitions and magnetic structures in RTxX2, RSn1+xGe1-x and RSn2 compounds</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gil, Alina</p> <p>2018-02-01</p> <p>The work presents the review of magnetic properties of the RTxX2, RSn1+xGe1-x and RSn2 compounds. The RTxX2 (where R - rare earth, T - 3d-metal, X - p-electron element: Si, Ge, Sn, and 1 ≥ x > 0) and RSn1+xGe1-x compounds (where x ≈ 0.1) crystallize in the orthorhombic crystal structure of CeNiSi2-type and RSn2 compounds crystallize in ZrSi2-type structure. Both structures are described by the space group Cmcm. The RSn1+xGe1-x compounds seem to be interesting due to the replacement of d-metal to p-electron element. The non-stoichiometric CeNiSi2-type of RTxX2 compounds may be regarded as partially filled ZrSi2-type compounds. The transitions from paramagnetic to antiferromagnetic or ferromagnetic states are observed at low temperatures and there are lots of variants of magnetic structures ranging from simple collinear to the sine-modulated structures with commensurate or incommensurate propagation vector. The comparison of magnetic properties of these compounds may help to find answers to questions concerning mechanisms of interaction between the magnetic moments.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5455659','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5455659"><span>Fine Structure in Multi-Phase Zr8Ni21-Zr7Ni10-Zr2Ni7 Alloy Revealed by Transmission Electron Microscope</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Shen, Haoting; Bendersky, Leonid A.; Young, Kwo; Nei, Jean</p> <p>2015-01-01</p> <p>The microstructure of an annealed alloy with a Zr8Ni21 composition was studied by both scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The presence of three phases, Zr8Ni21, Zr2Ni7, and Zr7Ni10, was confirmed by SEM/X-ray energy dispersive spectroscopy compositional mapping and TEM electron diffraction. Distribution of the phases and their morphology can be linked to a multi-phase structure formed by a sequence of reactions: (1) L → Zr2Ni7 + L’; (2) peritectic Zr2Ni7 + L’ → Zr2Ni7 + Zr8Ni21 + L”; (3) eutectic L” → Zr8Ni21 + Zr7Ni10. The effect of annealing at 960 °C, which was intended to convert a cast structure into a single-phase Zr8Ni21 structure, was only moderate and the resulting alloy was still multi-phased. TEM and crystallographic analysis of the Zr2Ni7 phase show a high density of planar (001) defects that were explained as low-energy boundaries between rotational variants and stacking faults. The crystallographic features arise from the pseudo-hexagonal structure of Zr2Ni7. This highly defective Zr2Ni7 phase was identified as the source of the broad X-ray diffraction peaks at around 38.4° and 44.6° when a Cu-K was used as the radiation source. PMID:28793460</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2001PhDT.......151D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2001PhDT.......151D"><span>Design and development of advanced castable refractory materials</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Davis, Robert Bruce</p> <p></p> <p>New formulations of castable refractory composite materials were studied. This technology is used to produce low cost composite concrete structures designed for high temperature stability, superior wear resistance and improved strength. An in situ fired, castable cement installation is a heterogeneous structure divided into three zones according to the temperature history and microstructure. The properties of each zone depend on the predominant bonding mode between constituents. Each zone has a characteristic microstructure that influences the integrity of the monolith. The hot side may have a highly dense and developed network of ceramic bonds between constituent particles while the cold side may never reach temperatures sufficient to drive off free water. The thermal, structural and tribological properties depend on the microstructure and the type of bonding that holds the monolith together. The phase distributions are defined by sets of metastable phase conditions driven by the local hydrated chemistry, nearest neighbor oxide compounds, impurities and sintering temperature. Equilibrium phase diagrams were used to select optimum compositions based on higher melting point phases. The phase diagrams were also used to target high temperature phase fields that are stable over wide temperature and stoichiometric ranges. Materials selection of candidate hydraulic clinkers, high temperature oxides, and reinforcement phases were based on requirements for high temperature stability. The calcium aluminate (CaO-Al2O3) and calcium dialuminate (CaO-(Al2O3)2) are common refractory clinkers used in castable refractory cements. The thermodynamics and kinetics of cement hydrate formation are well studied and suited to become the building block of a design for a superior refractory castable cement. The inert oxides mixed with the calcium aluminate clinkers are magnesia (MgO), alumina (Al 2O3), spinel (MgAl2O4) and chromic (Cr2O3). The bulk of the experiments concentrated in the Al2O3--MgO--CaO ternary system. Materials selection criteria for reinforcement materials was based on improved high temperature stability, increased strength, reduced thermal expansion mismatch, low thermal conductivity and increasing wear resistance. The reinforcement phases selected for this investigation are zircon (ZrSiO4), zirconia (ZrO2), spinel (MgAl2O4) and dead burnt magnesia (MgO). Batches of the formulations were tested for thermal conductivity, wear resistance and mechanical strength. Relative rankings of the formulations against commercial products indicate improved or similar performance with increased maximum temperature limits and improved thermal insulating power. The new cement formulations proved to exhibit superior high temperature stability with an increasing volume fraction of high temperature oxides. The addition of reinforcement aggregates and powder sizing to offset the loss of strength. The room temperature compression strength and wear resistance of the optimized formulations exceeded the properties of conventional refractory, brick and castable cement tested concurrently.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2007ChJCP..20...90H','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2007ChJCP..20...90H"><span>Raman Spectrum of Er-Y-codoped ZrO2 and Fluorescence Properties of Er3+</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>He, Jun; Luo, Meng-fei; Jin, Ling-yun; He, Mai; Fang, Ping; Xie, Yun-long</p> <p>2007-02-01</p> <p>Er-Y-codoped ZrO2 mixed oxides with monoclinic, tetragonal and cubic structures were prepared by a sol-gel method. The crystal structure of ZrO2 matrix and the effect of the ZrO2 phases on the fluorescence properties of Er3+ were studied using Raman spectroscopy. The results indicated that the fluorescence properties of Er3+ depend on its local ZrO2 crystal structures. As ZrO2 matrix transferred from monoclinic to tetragonal and cubic phase, the Raman and fluorescence bands of Er3+ decreased in intensities and tended to form a single peak. With 632.8 nm excitation, the bands between 640 and 680 nm were attributed to the fluorescence of Er3+ in the ZrO2 environment. However, only the fluorescence was observed and no Raman spectra were seen under 514.5 nm excitation, while only Raman spectra were observed under 325 nm excitation. UV Raman spectroscopy was found to be more sensitive in the surface region while the information provided by XRD mainly came from the bulk. The phase with lower symmetry forms more easily on the surface than in the bulk.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1398193-structural-electrical-properties-single-crystalline-srzro-epitaxially-grown-ge','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1398193-structural-electrical-properties-single-crystalline-srzro-epitaxially-grown-ge"><span>Structural and electrical properties of single crystalline SrZrO 3 epitaxially grown on Ge (001)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Lim, Z. H.; Ahmadi-Majlan, K.; Grimley, E. D.</p> <p></p> <p>We present structural and electrical characterization of SrZrO3 that has been epitaxially grown on Ge(001) by oxide molecular beam epitaxy. Single crystalline SrZrO3 can be nucleated on Ge via deposition at low temperatures followed by annealing at 550 ºC in ultra-high vacuum. Photoemission spectroscopy measurements reveal that SrZrO3 exhibits a type-I band arrangement with respect to Ge, with conduction and valence band offsets of 1.4 eV and 3.65 eV, respectively. As a standalone film, SrZrO3 exhibits several characteristics that are ideal for applications as a gate dielectric on Ge. We find that 4 nm thick films exhibit low leakage currentmore » densities, and a dielectric constant of κ ~ 25 that corresponds to an equivalent oxide thickness of 0.70 nm.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JAP...122h4102L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JAP...122h4102L"><span>Structural and electrical properties of single crystalline SrZrO3 epitaxially grown on Ge (001)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Lim, Z. H.; Ahmadi-Majlan, K.; Grimley, E. D.; Du, Y.; Bowden, M.; Moghadam, R.; LeBeau, J. M.; Chambers, S. A.; Ngai, J. H.</p> <p>2017-08-01</p> <p>We present structural and electrical characterization of SrZrO3 that has been epitaxially grown on Ge(001) by oxide molecular beam epitaxy. Single crystalline SrZrO3 can be nucleated on Ge via deposition at low temperatures followed by annealing at 550 °C in ultra-high vacuum. Photoemission spectroscopy measurements reveal that SrZrO3 exhibits a type-I band arrangement with respect to Ge, with conduction and valence band offsets of 1.4 eV and 3.66 eV, respectively. Capacitance-voltage and current-voltage measurements on 4 nm thick films reveal low leakage current densities and an unpinned Fermi level at the interface that allows modulation of the surface potential of Ge. Ultra-thin films of epitaxial SrZrO3 can thus be explored as a potential gate dielectric for Ge.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JPCM...30x5702L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JPCM...30x5702L"><span>Local atomic order of a metallic glass made visible by scanning tunneling microscopy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Luo, Yuansu; Samwer, Konrad</p> <p>2018-06-01</p> <p>Exploring the atomic level structure in amorphous materials by STM becomes extremely difficult due to the localized electronic states. Here we carried out STM studies on a quasi-low-dimensional film of metallic glass Zr65Cu27.5Al7.5 which is ‘ultrathin’ compared with the localization length and/or the length scale of short range order. The local electronic structure must appear more inherent, having states at E f available for tip-sample tunneling current. To enhance imaging contrasts between long-range and short-range orders, the highly oriented pyrolytic graphite was chosen as substrate, so that the structural heterogeneity arising from competition between the glass former ability and the epitaxy can be ascertained. A chemical order predicted for this system was observed in atomic ordered regimes (1–2 monolayers), accompanied with a superstructure with the period Zr–Cu(Al)–Zr along three hexagonal axes. The result implies a chemical short range order in disordered regimes, where polyhedral clusters are dominant with the solute atom Cu(Al) in the center. An attempt for the structural modelling was made based on high resolution STM images, giving icosahedral order on the surface and different Voronoi clusters in 3D space.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19930066373&hterms=Oxidation+nickel&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D60%26Ntt%3DOxidation%2Bnickel','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19930066373&hterms=Oxidation+nickel&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D60%26Ntt%3DOxidation%2Bnickel"><span>Diffusional transport and predicting oxidative failure during cyclic oxidation of beta-NiAl alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Nesbitt, J. A.; Vinarcik, E. J.; Barrett, C. A.; Doychak, J.</p> <p>1992-01-01</p> <p>Nickel aluminides (NiAl) containing 40-50 at. percent Al and up to 0.1 at. percent Zr have been studied following cyclic oxidation at 1200, 1300, 1350 and 1400 C. The selective oxidation of aluminum resulted in the formation of protective Al2O3 scales on each alloy composition at each temperature. However, repeated cycling eventually resulted in the gradual formation of less protective NiAl2O4. The appearance of the NiAl2O4, signaling the end of the protective scale-forming capability of the alloy, was related to the presence of gamma-prime-(Ni3Al) which formed as a result of the loss of aluminum from the sample. A simple methodology is presented to predict the protective life of beta-NiAl alloys. This method predicts the oxidative lifetime due to aluminum depletion when the aluminum concentration decreases to a critical concentration. The time interval preceding NiAl2O4 formation (i.e., the lifetime based on protective Al2O3 formation) and predicted lifetimes are compared and discussed. Use of the method to predict the maximum use temperature for NiAl-Zr alloys is also discussed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018MMI...tmp..151L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018MMI...tmp..151L"><span>Ultrasonic Vibration and Rheocasting for Refinement of Mg-Zn-Y Alloy Reinforced with LPSO Structure</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Lü, Shulin; Yang, Xiong; Hao, Liangyan; Wu, Shusen; Fang, Xiaogang; Wang, Jing</p> <p>2018-05-01</p> <p>In this work, ultrasonic vibration (UV) and rheo-squeeze casting was first applied on the Mg alloy reinforced with long period stacking ordered (LPSO) structure. The semisolid slurry of Mg-Zn-Y alloy was prepared by UV and processed by rheo-squeeze casting in succession. The effects of UV, Zr addition and squeeze pressure on microstructure of semisolid Mg-Zn-Y alloy were studied. The results revealed that the synergic effect of UV and Zr addition generated a finer microstructure than either one alone when preparing the slurries. Rheo-squeeze casting could significantly refine the LPSO structure and α-Mg matrix in Mg96.9Zn1Y2Zr0.1 alloy without changing the phase compositions or the type of LPSO structure. When the squeeze pressure increased from 0 to 400 MPa, the block LPSO structure was completely eliminated and the average thickness of LPSO structure decreased from 9.8 to 4.3 μm. Under 400 MPa squeeze pressure, the tensile strength and elongation of the rheocast Mg96.9Zn1Y2Zr0.1 alloy reached the maximum values, which were 234 MPa and 17.6%, respectively, due to its fine α-Mg matrix (α1-Mg and α2-Mg grains) and LPSO structure.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016ApSS..384..333Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016ApSS..384..333Z"><span>The adhesion performance of epoxy coating on AA6063 treated in Ti/Zr/V based solution</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zhu, Wen; Li, Wenfang; Mu, Songlin; Yang, Yunyu; Zuo, Xi</p> <p>2016-10-01</p> <p>An environment-friendly titanium/zirconium/vanadium-based (Ti/Zr/V) conversion coating was prepared on aluminum alloy 6063 (AA6063). The epoxy powder coatings were applied on the AA6063 samples with/without Ti/Zr/V conversion coatings via electrostatic spraying. The morphology and composition of the conversion coating were studied by scanning electron microscope (SEM) and X-ray photoelectron spectroscopy (XPS), respectively. The surface free energy components of AA6063 samples were measured by a static contact angle measuring device with Owens method. The adhesion properties of the epoxy coating on AA6063 treated with different conversion times were evaluated using a pull-off tester. The Ti/Zr/V conversion coating was mainly composed of metal oxide (TiO2, ZrO2, V2O5, Al2O3, etc.), metal fluoride (ZrF4, AlF3, etc.) and metal organic complex. The formation time of this conversion coating was reduced to 50 s. After such surface treatment, the samples' surface roughness was increased and the contact angle with water was decreased. Both the surface free energy and the work of adhesion were increased. The adhesion strength between the epoxy coating and AA6063 was enhanced significantly.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010PhDT........97S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010PhDT........97S"><span>Structural characterization of sputter-deposited SS304+x aluminum (x = 0, 4, 7 and 10 wt.%) coatings and mechanically milled titanium, zirconium and hafnium powders</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Seelam, Uma Maheswara Rao</p> <p></p> <p>Study of the metastable phases obtained by non-equilibrium processing techniques has come a long way during the past five decades. New metastable phases have often given new perspectives to the research on synthesis of novel materials systems. Metastable materials produced by two non-equilibrium processing methods were studied for this dissertation---304-type austenitic stainless steel (SS304 or Fe-18Cr-8Ni)+aluminum coatings produced by plasma enhanced magnetron sputter-deposition (PEMS) and nanocrystalline Ti, Zr and Hf powders processed by mechanical milling (MM). The objective of the study was to understand the crystallographic and microstructural aspects of these materials. Four SS304+Al coatings with a nominal Al percentages of 0, 4, 7 and 10 wt.% in the coatings were deposited on an SS304 substrate by PEMS using SS304 and Al targets. The as-deposited coatings were characterized by x-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and three-dimensional atom probe microscopy (3DAP). Surface morphology and chemical analysis were studied by SEM. Phase identification was carried out by XRD and TEM. The microstructural features of all the coatings, as observed in the TEM, consisted of columnar grains with the columnar grain width (a measure of grain size) increasing with an increase in the Al content. The coatings had grains with average grain sizes of about 100, 290, 320 and 980 nm, respectively for 0, 4, 7 and 10 wt.% Al. The observed grain structures and increase in grain size were related to substrate temperature during deposition. XRD results indicated that the Al-free coating consisted of the non-equilibrium ferrite and sigma phases. In the 4Al, 7Al and 10Al coatings, equilibrium ferrite and B2 phases were observed but no sigma phase was found. In 10Al coating, we were able to demonstrate experimentally using 3DAP studies that NiAl phase formation is preferred over the FeAl phase at nano scale. During mechanical milling of the hexagonal close packed (HCP) metals Hf, Ti and Zr powders, unknown nanocrystalline phases with face centered cubic (FCC) structure were found. The FCC phases could be either allotropes of the respective metals or impurity stabilized phases. However, upon MM under high purity conditions, it was revealed that the FCC phases were impurity stabilized. The decrease in crystallite size down to nanometer levels, an increase in atomic volume, lattice strain, and possible contamination were the factors responsible for the transformation.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_15");'>15</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li class="active"><span>17</span></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_17 --> <div id="page_18" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li class="active"><span>18</span></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="341"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2009JPhD...42g5418I','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2009JPhD...42g5418I"><span>Structural, magnetic and luminescent characteristics of Pr3+-doped ZrO2 powders synthesized by a sol-gel method</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Isasi-Marín, J.; Pérez-Estébanez, M.; Díaz-Guerra, C.; Castillo, J. F.; Correcher, V.; Cuervo-Rodríguez, M. R.</p> <p>2009-04-01</p> <p>The structural, magnetic and luminescence properties of praseodymium-doped zirconia powders of compositions Pr0.03Zr0.97O2 and Pr0.05Zr0.95O2 synthesized by a sol-gel process have been investigated. X-ray diffraction patterns indicate that these materials crystallize in a tetragonal fluorite-type structure. Scanning electron microscopy shows that the powders exhibit an agglomerated microcrystalline structure and the grain size may be in the order of 5-20 µm. The study of the magnetic properties of these doped metal oxides indicates a Curie-Weiss behaviour in the temperature range (100-300) K that allow us to estimate an effective magnetic moment of 3.51 μB, which indicates the presence of Pr3+ in the grown samples. Cathodoluminescence spectra recorded at temperatures between 85 and 295 K show emission peaks that can be attributed to transitions between different states within the 4f2 configuration of Pr3+ ions incorporated in the zirconia crystal lattice. Thermoluminescence measured at temperatures ranging from 373 to 773 K and at 550 nm wavelength show an intense and broad peak around 653 K for the Pr-doped zirconia which is not observed in the undoped material.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/18763533','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/18763533"><span>[Selective catalytic reduction of NOx over Pd/CeZr/TiO2/Al2O3 wire-mesh honeycomb catalysts].</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Sun, Hong; Quan, Xie; Zhang, Yao-bin; Zhao, Ya-zhi</p> <p>2008-06-01</p> <p>Pd/CeZr/TiO2/Al2O3 wire-mesh honeycomb catalyst was prepared by sol-gel and impregnation. Furthermore, selective catalytic reduction of NOx over Pd/CeZr/TiO2/Al2O3 wire-mesh honeycomb catalyst with propylene under lean burn condition was studied. The effects of the concentration of tetra-n-butyl titanate and dipcoat cycles on TiO2 washcoat were studied by SEM, and the effects of Pd concentration, O2 concentration and gas velocity on catalytic activity were investigated. The experimental results showed that the TiO2 washcoat on wire-mesh support is even and crack-free when the support is impregnated in 20.0% tetra- n-butyl titanate sol for 2 cycles. The NOx conversion decreases with Pd concentration increase. When Pd concentration is 0.23%, NOx conversion is highest. NOx conversion increases with oxygen concentration increase in the range of 1.5%-6.0%. However, when oxygen concentration is higher than 6.0%, NOx conversion decreases with increasing oxygen concentration. The NOx conversion decreases with gas velocity increase and its effect is severer at high temperature than low temperature.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2006JAP...100e1612M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2006JAP...100e1612M"><span>Homogeneity of Pb(Zr ,Ti)O3 thin films by chemical solution deposition: Extended x-ray absorption fine structure spectroscopy study of zirconium local environment</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Malic, Barbara; Arcon, Iztok; Kodre, Alojz; Kosec, Marija</p> <p>2006-09-01</p> <p>Sols for Pb(Zr0.53Ti0.47)O3 (PZT) thin films were prepared by 2-methoxyethanol route from lead acetate, titanium n-propoxide, and zirconium n-propoxide, the latter either unmodified or modified with acetylacetone or acetic acid in a 2/1 molar ratio and deposited on sapphire (0001). By Zr K-edge extended x-ray absorption fine structure (EXAFS) spectroscopy, the structural changes in the Zr local environment, induced by the addition of the two modifiers, were followed from the synthesis of the PZT sol to the transition to the amorphous film. In the unmodified PZT sol segregation of Zr species occurs from the original dimers present in the Zr propoxide solution in 2-methoxyethanol. The immediate neighborhood of Zr atoms changes markedly at the transition from the sol to the amorphous film: the local structure around Zr atoms is similar to the one found in tetragonal zirconia particles. The modification of Zr propoxide with acetylacetone in 2-methoxyethanol results in Zr monomers. In PZT sol, clustering of Zr species is observed continuing into the amorphous film. By modification with acetic acid the original dimeric structure of the Zr precursor is retained in the PZT sol and further in the amorphous film. Selective modification of Zr propoxide with acetic acid therefore results in a more homogeneous distribution of Zr atoms in the PZT sol and amorphous film than in both as-received and acetylacetone-modified Zr propoxide.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4806310','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4806310"><span>Crystal Structure of Garnet-Related Li-Ion Conductor Li7–3xGaxLa3Zr2O12: Fast Li-Ion Conduction Caused by a Different Cubic Modification?</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p></p> <p>2016-01-01</p> <p>Li-oxide garnets such as Li7La3Zr2O12 (LLZO) are among the most promising candidates for solid-state electrolytes to be used in next-generation Li-ion batteries. The garnet-structured cubic modification of LLZO, showing space group Ia-3d, has to be stabilized with supervalent cations. LLZO stabilized with Ga3+ shows superior properties compared to LLZO stabilized with similar cations; however, the reason for this behavior is still unknown. In this study, a comprehensive structural characterization of Ga-stabilized LLZO is performed by means of single-crystal X-ray diffraction. Coarse-grained samples with crystal sizes of several hundred micrometers are obtained by solid-state reaction. Single-crystal X-ray diffraction results show that Li7–3xGaxLa3Zr2O12 with x > 0.07 crystallizes in the acentric cubic space group I-43d. This is the first definite record of this cubic modification for LLZO materials and might explain the superior electrochemical performance of Ga-stabilized LLZO compared to its Al-stabilized counterpart. The phase transition seems to be caused by the site preference of Ga3+. 7Li NMR spectroscopy indicates an additional Li-ion diffusion process for LLZO with space group I-43d compared to space group Ia-3d. Despite all efforts undertaken to reveal structure–property relationships for this class of materials, this study highlights the potential for new discoveries. PMID:27019548</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5789441','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5789441"><span>Atomic layer deposition and properties of ZrO2/Fe2O3 thin films</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Seemen, Helina; Ritslaid, Peeter; Rähn, Mihkel; Tamm, Aile; Kukli, Kaupo; Kasikov, Aarne; Link, Joosep; Stern, Raivo; Dueñas, Salvador; Castán, Helena; García, Héctor</p> <p>2018-01-01</p> <p>Thin solid films consisting of ZrO2 and Fe2O3 were grown by atomic layer deposition (ALD) at 400 °C. Metastable phases of ZrO2 were stabilized by Fe2O3 doping. The number of alternating ZrO2 and Fe2O3 deposition cycles were varied in order to achieve films with different cation ratios. The influence of annealing on the composition and structure of the thin films was investigated. Additionally, the influence of composition and structure on electrical and magnetic properties was studied. Several samples exhibited a measurable saturation magnetization and most of the samples exhibited a charge polarization. Both phenomena were observed in the sample with a Zr/Fe atomic ratio of 2.0. PMID:29441257</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2011PhDT.......113K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2011PhDT.......113K"><span>A rational design approach to nanostructured catalysts for the oxidation of carbon monoxide</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Karwacki, Christopher</p> <p></p> <p>The extraordinary energetic properties of subnanometer (<10 nm) structures consisting of reduced metals, metal oxides, and graphitic carbons are emerging as the principal technologies involving catalytic reactions at ambient temperatures, for such applications as respiratory protection, pollution abatement, chemical synthesis, sensors, and energy conversion. Gold nanoparticles (Au NP) possess unique reactive properties not present in the bulk state and have served in the past decade as a model for the nanosciences, where molecular species are synthesized, scaled, and engineered into functional materials. Gold nanoparticles as isolated structures are not useful as real catalysts and must co-exist with supports that provide enhanced stability and activity. Support oxides such as TiO2, Fe2O 3, CeO2, SiO2, Al2O3, ZrO 2, and graphitic (active) carbons have been shown to increase the active nature of AuNP and have been the subject of several thousand publications in the past decade. Zirconia compared to titania as a support for Au NP catalysis has been studied with limited success. In fact, the majority of observations show that zirconia is one of the lowest performing metal oxide supports involving Au NP oxidation catalysis. The likely reason for these observations is a lack of understanding of the relationship between structure and surface functionality as it pertains to ambient temperature oxidation catalysis (ATOC). Furthermore, virtually all substrate and catalyst preparations in earlier work were performed at high temperatures, typically 400--900°C, thus forming progressively monomorphic structures containing larger crystals with reduced surface functionality and porosity. In this research, I established the hypothesis based on a structural model that surface functional hydroxides are important to sustained hydrolytic reactions, such as those involving Au NP for the oxidation of CO to CO 2. Theoretical calculations by Ignatchenko, Vittadini, et al. show that zirconia readily dissociates adsorbed water on the most active and stable crystal structures (111) compared to other metal oxides, such as the common anatase (101) form of titania. Also, the support must provide a source of activated oxygen as a means to oxidize intermediate carbonates with CO 2 formation. The role of the support is to provide lattice oxygen in an activated state (O2-) for oxidation of adsorbed CO the Au NP:support interface. Furthermore, the primary interest is the energy associated Au NP in proximity to the support surface. Advancing the understanding of this region is believed to be crucial to the future design of active nanostructured materials that function under ambient conditions. The proposed model involves a structure consisting of properly sized and highly dispersed Au NP supported on a hydroxylated form of nanocrystalline zirconia. This type of zirconia is in a highly polymorphic form consisting of aggregates of small crystals less than 10 nm. The structure is highly porous, containing undercoordinated zirconium atoms, and provides an environment for rapid dissociation of molecular water. In this research and in collaboration with Mogilevsky et al., 37 I introduce a novel method for quantifying the surface concentration of two major forms of hydroxide that form on zirconia. Furthermore, in this research I show how both the porosity of the zirconia support and the size of the crystalline aggregates affect the type and surface concentration of hydroxyl groups. This relationship is thus directly related to the oxidation activity of the catalyst consisting of Au NP supported on hydroxylated ZrO 2. These phenomena are exemplified by a reduction in structural porosity and surface hydroxyl groups with increasing temperature treatments of the zirconia support. Gold NP and ZrO2 supports were extended to studies that included interactions with activated carbons. This work was done on the premise that graphitic carbons, based on their tunable porosities and surface chemistries, can enhance or stabilize the catalytic activity of neighboring Au NP. Gold dispersed on active carbon and hybrid structures consisting of Au/ZrO 2/C shows interesting properties, which lend themselves to catalytic particle stabilization and to the advancement of multifunctional material design.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27877691','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27877691"><span>Drastic influence of minor Fe or Co additions on the glass forming ability, martensitic transformations and mechanical properties of shape memory Zr-Cu-Al bulk metallic glass composites.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>González, Sergio; Pérez, Pablo; Rossinyol, Emma; Suriñach, Santiago; Dolors Baró, Maria; Pellicer, Eva; Sort, Jordi</p> <p>2014-06-01</p> <p>The microstructure and mechanical properties of Zr 48 Cu 48 - x Al 4 M x (M ≡ Fe or Co, x = 0, 0.5, 1 at.%) metallic glass (MG) composites are highly dependent on the amount of Fe or Co added as microalloying elements in the parent Zr 48 Cu 48 Al 4 material. Addition of Fe and Co promotes the transformation from austenite to martensite during the course of nanoindentation or compression experiments, resulting in an enhancement of plasticity. However, the presence of Fe or Co also reduces the glass forming ability, ultimately causing a worsening of the mechanical properties. Owing to the interplay between these two effects, the compressive plasticity for alloys with x = 0.5 (5.5% in Zr 48 Cu 47.5 Al 4 Co 0.5 and 6.2% in Zr 48 Cu 47.5 Al 4 Fe 0.5 ) is considerably larger than for Zr 48 Cu 48 Al 4 or the alloys with x = 1. Slight variations in the Young's modulus (around 5-10%) and significant changes in the yield stress (up to 25%) are also observed depending on the composition. The different microstructural factors that have an influence on the mechanical behavior of these composites are investigated in detail: (i) co-existence of amorphous and crystalline phases in the as-cast state, (ii) nature of the crystalline phases (austenite versus martensite content), and (iii) propensity for the austenite to undergo a mechanically-driven martensitic transformation during plastic deformation. Evidence for intragranular nanotwins likely generated in the course of the austenite-martensite transformation is provided by transmission electron microscopy. Our results reveal that fine-tuning of the composition of the Zr-Cu-Al-(Fe,Co) system is crucial in order to optimize the mechanical performance of these bulk MG composites, to make them suitable materials for structural applications.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014STAdM..15c5015G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014STAdM..15c5015G"><span>Drastic influence of minor Fe or Co additions on the glass forming ability, martensitic transformations and mechanical properties of shape memory Zr-Cu-Al bulk metallic glass composites</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>González, Sergio; Pérez, Pablo; Rossinyol, Emma; Suriñach, Santiago; Baró, Maria Dolors; Pellicer, Eva; Sort, Jordi</p> <p>2014-06-01</p> <p>The microstructure and mechanical properties of Zr48Cu48 - x Al4M x (M ≡ Fe or Co, x = 0, 0.5, 1 at.%) metallic glass (MG) composites are highly dependent on the amount of Fe or Co added as microalloying elements in the parent Zr48Cu48Al4 material. Addition of Fe and Co promotes the transformation from austenite to martensite during the course of nanoindentation or compression experiments, resulting in an enhancement of plasticity. However, the presence of Fe or Co also reduces the glass forming ability, ultimately causing a worsening of the mechanical properties. Owing to the interplay between these two effects, the compressive plasticity for alloys with x = 0.5 (5.5% in Zr48Cu47.5Al4Co0.5 and 6.2% in Zr48Cu47.5Al4Fe0.5) is considerably larger than for Zr48Cu48Al4 or the alloys with x = 1. Slight variations in the Young’s modulus (around 5-10%) and significant changes in the yield stress (up to 25%) are also observed depending on the composition. The different microstructural factors that have an influence on the mechanical behavior of these composites are investigated in detail: (i) co-existence of amorphous and crystalline phases in the as-cast state, (ii) nature of the crystalline phases (austenite versus martensite content), and (iii) propensity for the austenite to undergo a mechanically-driven martensitic transformation during plastic deformation. Evidence for intragranular nanotwins likely generated in the course of the austenite-martensite transformation is provided by transmission electron microscopy. Our results reveal that fine-tuning of the composition of the Zr-Cu-Al-(Fe,Co) system is crucial in order to optimize the mechanical performance of these bulk MG composites, to make them suitable materials for structural applications.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PhDT........68A','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PhDT........68A"><span>Effects of Alloying Elements on Room and High Temperature Tensile Properties of Al-Si Cu-Mg Base Alloys =</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Alyaldin, Loay</p> <p></p> <p>In recent years, aluminum and aluminum alloys have been widely used in automotive and aerospace industries. Among the most commonly used cast aluminum alloys are those belonging to the Al-Si system. Due to their mechanical properties, light weight, excellent castability and corrosion resistance, these alloys are primarily used in engineering and in automotive applications. The more aluminum is used in the production of a vehicle, the less the weight of the vehicle, and the less fuel it consumes, thereby reducing the amount of harmful emissions into the atmosphere. The principal alloying elements in Al-Si alloys, in addition to silicon, are magnesium and copper which, through the formation of Al2Cu and Mg2Si precipitates, improve the alloy strength via precipitation hardening following heat treatment. However, most Al-Si alloys are not suitable for high temperature applications because their tensile and fatigue strengths are not as high as desired in the temperature range 230-350°C, which are the temperatures that are often attained in automotive engine components under actual service conditions. The main challenge lies in the fact that the strength of heat-treatable cast aluminum alloys decreases at temperatures above 200°C. The strength of alloys under high temperature conditions is improved by obtaining a microstructure containing thermally stable and coarsening-resistant intermetallics, which may be achieved with the addition of Ni. Zr and Sc. Nickel leads to the formation of nickel aluminide Al3Ni and Al 9FeNi in the presence of iron, while zirconium forms Al3Zr. These intermetallics improve the high temperature strength of Al-Si alloys. Some interesting improvements have been achieved by modifying the composition of the base alloy with additions of Mn, resulting in an increase in strength and ductility at both room and high temperatures. Al-Si-Cu-Mg alloys such as the 354 (Al-9wt%Si-1.8wt%Cu-0.5wt%Mg) alloys show a greater response to heat treatment as a result of the presence of both Mg and Cu. These alloy types display excellent strength values at both low and high temperatures. Additions of Zr, Ni, Mn and Sc would be expected to maintain the performance of these alloys at still higher temperatures. Six alloys were prepared using 0.2 wt% Ti grain-refined 354 alloy, comprising alloy R (354 + 0.25wt% Zr) considered as the base or reference alloy, and five others, viz., alloys S, T, U, V, and Z containing various amounts of Ni, Mn, Sc and Zr, added individually or in combination. For comparison purposes, another alloy L was prepared from 398 (Al-16%Si) alloy, reported to give excellent high temperature properties, to which the same levels of Zr and Sc additions were made, as in alloy Z. Tensile test bars were prepared from the different 354 alloys using an ASTM B-108 permanent mold. The test bars were solution heat treated using a one-step or a multi-step solution heat treatment, followed by quenching in warm water, and then artificial aging employing different aging treatments (T5, T6, T62 and T7). The one-step (or SHT 1) solution treatment consisted of 5 h 495 °C) and the multi-step (or SHT 2) solution treatment comprised 5 h 495°C + 2 h 515°C + 2 h 530°C. Thermal analysis of the various 354 alloy melts was carried out to determine the sequence of reactions and phases formed during solidification under close-to-equilibrium cooling conditions. The main reactions observed comprised formation of the alpha-Al dendritic network at 598°C followed by precipitation of the Al-Si eutectic and post-eutectic beta-Al5FeSi phase at 560°C; Mg2Si phase and transformation of the beta-phase into pi-Al8Mg 3FeSi6 phase at 540°C and 525°C; and lastly, precipitation of Al2Cu and Q-Al5Mg8Cu2Si 6 almost simultaneously at 498°C and 488°C. Larger sizes of AlFeNi and AlCuNi phase particles were observed in T alloy with its higher Ni content of 4 wt%, when compared to those seen in S alloy at 2% Ni content. Mn addition in Alloy U helps in reducing the detrimental effect of the beta-iron phase by replacing it with the less-detrimental Chinese script alpha-Al 15(Fe,Mn)3Si2 phase and sludge particles.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012STAdM..13f4216O','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012STAdM..13f4216O"><span>Comparisons of immersion and electrochemical properties of highly biocompatible Ti-15Zr-4Nb-4Ta alloy and other implantable metals for orthopedic implants</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Okazaki, Yoshimitsu; Nagata, Hiroyuki</p> <p>2012-12-01</p> <p>Metal release from implantable metals and the properties of oxide films formed on alloy surfaces were analyzed, focusing on the highly biocompatible Ti-15Zr-4Nb-4Ta alloy. The thickness and electrical resistance (Rp) of the oxide film on such an alloy were compared with those of other implantable metals. The quantity of metal released during a 1-week immersion test was considerably smaller for the Ti-15Zr-4Nb-4Ta than the Ti-6Al-4V alloy. The potential (E10) indicating a current density of 10 μA cm-2 estimated from the anodic polarization curve was significantly higher for the Ti-15Zr-4Nb-4Ta than the Ti-6Al-4V alloy and other metals. Moreover, the oxide film (4-7 nm thickness) formed on the Ti-15Zr-4Nb-4Ta surface is electrochemically robust. The oxide film mainly consisted of TiO2 with small amounts of ZrO2, Nb2O5 and Ta2O5 that made the film electrochemically stable. The Rp of Ti-15Zr-4Nb-4Ta was higher than that of Ti-6Al-4V, i.e. 0.9 Ω cm2 in 0.9% NaCl and 1.3 Ω cm2 in Eagle's medium. This Rp was approximately five-fold higher than that of stainless steel, which has a history of more than 40 years of clinical use in the human body. Ti-15Zr-4Nb-4Ta is a potential implant material for long-term clinical use. Moreover, E10 and Rp were found to be useful parameters for assessing biological safety.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017ApPhA.123..471Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017ApPhA.123..471Y"><span>Simulation of Zr content in TiZrCuNi brazing filler metal for Ti6Al4V alloy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yue, Xishan; Xie, Zonghong; Jing, Yongjuan</p> <p>2017-07-01</p> <p>To optimize the Zr content in Ti-based filler metal, the covalent electron on the nearest atoms bond in unit cell ( n A u-v ) with Ti-based BCC structure was calculated, in which the brazing temperature was considered due to its influence on the lattice parameter. Based on EET theory (The Empirical Electron Theory for solid and molecules), n_{{A}}^{{u - v}} represents the strength of the unit cell with defined element composition and structure, which reflects the effect from solid solution strengthening on the strength of the unit cell. For Ti-Zr-15Cu-10Ni wt% filler metal, it kept constant as 0.3476 with Zr as 37.5˜45 wt% and decreased to 0.333 with Zr decreasing from 37.5 to 25 wt%. Finally, it increased up to 0.3406 with Zr as 2˜10 wt%. Thus, Ti-based filler metal with Zr content being 2˜10 wt% is suggested based on the simulation results. Moreover, the calculated covalent electron of n A u-v showed good agreement with the hardness of the joint by filler 37.5Zr and 10Zr. The composition of Ti-10Zr-15Cu-10Ni wt% was verified in this study with higher tensile strength of the brazing joint and uniform microstructure of the interface.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19890004351','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19890004351"><span>Characterization of ZrO2 buffer layers for sequentially evaporated Y-Ba-CuO on Si and Al2O3 substrates</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Valco, George J.; Rohrer, Norman J.; Pouch, John J.; Warner, Joseph D.; Bhasin, Kul B.</p> <p>1988-01-01</p> <p>Thin film high temperature superconductors have the potential to change the microwave technology for space communications systems. For such applications it is desirable that the films be formed on substrates such as Al2O3 which have good microwave properties. The use of ZrO2 buffer layers between Y-Ba-Cu-O and the substrate has been investigated. These superconducting films have been formed by multilayer sequential electron beam evaporation of Cu, BaF2 and Y with subsequent annealing. The three layer sequence of Y/BaF2/Cu is repeated four times for a total of twelve layers. Such a multilayer film, approximately 1 micron thick, deposited directly on SrTiO3 and annealed at 900 C for 45 min produces a film with a superconducting onset of 93 K and critical temperature of 85 K. Auger electron spectroscopy in conjunction with argon ion sputtering was used to obtain the distribution of each element as a function of depth for an unannealed film, the annealed film on SrTiO3 and annealed films on ZrO2 buffer layers. The individual layers were apparent. After annealing, the bulk of the film on SrTiO3 is observed to be fairly uniform while films on the substrates with buffer layers are less uniform. The Y-Ba-Cu-O/ZrO2 interface is broad with a long Ba tail into the ZrO2, suggesting interaction between the film and the buffer layer. The underlying ZrO2/Si interface is sharper. The detailed Auger results are presented and compared with samples annealed at different temperatures and durations.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20090028687','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20090028687"><span>Cast Aluminum Alloys for High Temperature Applications Using Nanoparticles Al2O3 and Al3-X Compounds (X = Ti, V, Zr)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Lee, Jonathan A.</p> <p>2009-01-01</p> <p>In this paper, the effect of nanoparticles Al2O3 and Al3-X compounds (X = Ti, V, Zr) on the improvement of mechanical properties of aluminum alloys for elevated temperature applications is presented. These nanoparticles were selected based on their low cost, chemical stability and low diffusions rates in aluminum at high temperatures. The strengthening mechanism at high temperature for aluminum alloy is based on the mechanical blocking of dislocation movements by these nanoparticles. For Al2O3 nanoparticles, the test samples were prepared from special Al2O3 preforms, which were produced using ceramic injection molding process and then pressure infiltrated by molten aluminum. In another method, Al2O3 nanoparticles can also be homogeneously mixed with fine aluminum powder and consolidated into test samples through hot pressing and sintering. With the Al3-X nanoparticles, the test samples are produced as precipitates from in-situ reactions with molten aluminum using conventional permanent mold or die casting techniques. It is found that cast aluminum alloy using nanoparticles Al3-X is the most cost effective method to produce high strength aluminum alloys for high temperature applications in comparison to nanoparticles Al2O3. Furthermore, significant mechanical properties retention in high temperature environment could be achieved with Al3-X nanoparticles, resulting in tensile strength of nearly 3 times higher than most 300- series conventional cast aluminum alloys tested at 600 F.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2004SSSci...6..301L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2004SSSci...6..301L"><span>Magnetism and 155Gd Mössbauer spectroscopy of GdAuMg</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Łątka, Kazimierz; Kmieć, Roman; Pacyna, Andrzej W.; Fickenscher, Thomas; Hoffmann, Rolf-Dieter; Pöttgen, Rainer</p> <p>2004-03-01</p> <p>GdAuMg was synthesized by reaction of the elements in a sealed tantalum ampule in a high-frequency furnace. The structure was investigated by X-ray diffraction on both powders and single crystals: ZrNiAl type, P 6¯2m , a=756.3(1), c=412.71(7) pm, wR2=0.0285 for 308 F2 values, 14 variables. Geometrical motifs of the GdAuMg structure are gold centered tricapped trigonal prisms [Au1Mg 3Gd 6] and [Au2Mg 6Gd 3]. Together the gold and magnesium atoms form a three-dimensional [AuMg] network in which the gadolinium atoms fill distorted hexagonal channels. Bulk magnetic properties have been investigated by means of AC and DC magnetic susceptibility measurements and 155Gd Mössbauer spectroscopy was used to monitor the local electronic and magnetic structure. Two magnetic phase transitions were found. One transition, at T1= TN=81.1(1) K, is from a paramagnetic to an antiferromagnetic state of collinear character and the other at T2=19.0(1) from the antiferromagnetic to a kind of canted magnetic ordering characterized by a very narrow hysteresis loop.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28301026','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28301026"><span>Characterization of Conventional and High-Translucency Y-TZP Dental Ceramics Submitted to Air Abrasion.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Tostes, Bhenya Ottoni; Guimarães, Renato Bastos; Noronha-Filho, Jaime Dutra; Botelho, Glauco Dos Santos; Guimarães, José Guilherme Antunes; Silva, Eduardo Moreira da</p> <p>2017-01-01</p> <p>This study evaluated the effect of air-abrasion on t®m phase transformation, roughness, topography and the elemental composition of three Y-TZP (Yttria-stabilized tetragonal zirconia polycrystal) dental ceramics: two conventional (Lava Frame and IPS ZirCad) and one with high-translucency (Lava Plus). Plates obtained from sintered blocks of each ceramic were divided into four groups: AS (as-sintered); 30 (air-abrasion with 30 mm Si-coated Al2O3 particles); 50 (air-abrasion with 50 mm Al2O3 particles) and 150 (air-abrasion with 150 mm Al2O3 particles). After the treatments, the plates were submitted to X-ray diffractometry; 3-D profilometry and SEM/EDS. The AS surfaces were composed of Zr and t phases. All treatments produced t®m phase transformation in the ceramics. The diameter of air-abrasion particles influenced the roughness (150>50>30>AS) and the topography. SEM analysis showed that the three treatments produced groove-shaped microretentions on the ceramic surfaces, which increased with the diameter of air-abrasion particles. EDS showed a decrease in Zr content along with the emergence of O and Al elements after air-abrasion. Presence of Si was also detected on the plates air-abraded with 30 mm Si-coated Al2O3 particles. It was concluded that irrespective of the type and diameter of the particles, air-abrasion produced t®m phase transformation, increased the roughness and changed the elemental composition of the three Y-TZP dental ceramics. Lava Plus also behaved similarly to the conventional Y-TZP ceramics, indicating that this high translucency ceramic could be more suitable to build monolithic ceramic restorations in the aesthetic restorative dentistry field.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26888438','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26888438"><span>An Atomistic-Scale Study for Thermal Conductivity and Thermochemical Compatibility in (DyY)Zr2O7 Combining an Experimental Approach with Theoretical Calculation.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Qu, Liu; Choy, Kwang-Leong; Wheatley, Richard</p> <p>2016-02-18</p> <p>Ceramic oxides that have high-temperature capabilities can be deposited on the superalloy components in aero engines and diesel engines to advance engine efficiency and reduce fuel consumption. This paper aims to study doping effects of Dy(3+) and Y(3+)on the thermodynamic properties of ZrO2 synthesized via a sol-gel route for a better control of the stoichiometry, combined with molecular dynamics (MD) simulation for the calculation of theoretical properties. The thermal conductivity is investigated by the MD simulation and Clarke's model. This can improve the understanding of the microstructure and thermodynamic properties of (DyY)Zr2O7 (DYZ) at the atomistic level. The phonon-defect scattering and phonon-phonon scattering processes are investigated via the theoretical calculation, which provides an effective way to study thermal transport properties of ionic oxides. The measured and predicted thermal conductivity of DYZ is lower than that of 4 mol % Y2O3 stabilized ZrO2 (4YSZ). It is discovered that DYZ is thermochemically compatible with Al2O3 at 1300 °C, whereas at 1350 °C DYZ reacts with Al2O3 forming a small amount of new phases.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4758060','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=4758060"><span>An Atomistic-Scale Study for Thermal Conductivity and Thermochemical Compatibility in (DyY)Zr2O7 Combining an Experimental Approach with Theoretical Calculation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Qu, Liu; Choy, Kwang-Leong; Wheatley, Richard</p> <p>2016-01-01</p> <p>Ceramic oxides that have high-temperature capabilities can be deposited on the superalloy components in aero engines and diesel engines to advance engine efficiency and reduce fuel consumption. This paper aims to study doping effects of Dy3+ and Y3+on the thermodynamic properties of ZrO2 synthesized via a sol-gel route for a better control of the stoichiometry, combined with molecular dynamics (MD) simulation for the calculation of theoretical properties. The thermal conductivity is investigated by the MD simulation and Clarke’s model. This can improve the understanding of the microstructure and thermodynamic properties of (DyY)Zr2O7 (DYZ) at the atomistic level. The phonon-defect scattering and phonon-phonon scattering processes are investigated via the theoretical calculation, which provides an effective way to study thermal transport properties of ionic oxides. The measured and predicted thermal conductivity of DYZ is lower than that of 4 mol % Y2O3 stabilized ZrO2 (4YSZ). It is discovered that DYZ is thermochemically compatible with Al2O3 at 1300 °C, whereas at 1350 °C DYZ reacts with Al2O3 forming a small amount of new phases. PMID:26888438</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017ApPhA.123..761R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017ApPhA.123..761R"><span>Zr-doped SnO2 thin films synthesized by spray pyrolysis technique for barrier layers in solar cells</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Reddy, N. Nanda Kumar; Akkera, Harish Sharma; Sekhar, M. Chandra; Park, Si-Hyun</p> <p>2017-12-01</p> <p>In the present work, we investigated the effect of Zr doping (0-6 at%) on the structural, electrical, and optical properties of tin oxide (SnO2) thin films deposited onto glass substrates using a spray pyrolysis technique. The room-temperature X-ray diffraction pattern shows that all deposited films exhibit polycrystalline tetragonal structure. The pure SnO2 film is grown along a preferred (200) direction, whereas Zr-doped SnO2 (Zr:SnO2) films started growing along the (220) orientation along with a high intensity peak of (200). Scanning electron microscope (SEM) and atomic force microscope (AFM) images showed that the grains of the films are spherical in structure, and the grain size decreased with increasing of Zr concentration. The optical transmission spectra of deposited films as a function of wavelength confirm that the average optical transmittance is > 85% for Zr:SnO2 films. The value of the optical bandgap is significantly decreased from 3.94 to 3.68 eV with increasing Zr concentration. Furthermore, the electrical measurements found that the sheet resistance ( R sh) and resistivity ( ρ) values are decreased with increasing of Zr doping. The lowest values of R sh = 6.82 Ω and ρ = 0.4 × 10- 3 Ω cm are found in 6-at% Zr-doped SnO2 film. In addition, a good efficiency value of the figure of merit ( ɸ = 3.35 × 10- 3 Ω-1) is observed in 6-at% Zr-doped SnO2 film. These outstanding properties of Zr-doped SnO2 films make them useful for several optoelectronic device applications.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1211054-formation-tbcu7-type-cefe10zr0-rapid-solidification','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1211054-formation-tbcu7-type-cefe10zr0-rapid-solidification"><span>Formation of TbCu7-type CeFe10Zr0.8 by rapid solidification</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Zhou, C; Pinkerton, FE; Herbst, JF</p> <p>2013-08-25</p> <p>We report the discovery of a new ternary compound prepared by melt spinning induction melted ingot of nominal composition CeFe11Zr. The sample melt spun at v(s) = 25 m/s exhibits the hexagonal TbCu7-type structure of space group P6/mmm. Through fitting the experimental X-ray diffraction pattern by Rietveld method, we have successfully derived the crystal structure of the new compound melt spun at v(s) = 25 m/s to be CeFe10Zr0.8. Subsequent density function theory calculation fully supports the chemical stability of the new ternary compound. Annealing test showed that the melt spun CeFe10Zr0.8 is stable up to 700 degrees C andmore » annealing at higher temperature would cause it to decompose into hexagonal Ce2Fe17-type structure and ZrFe2. The Curie temperature measurement found that CeFe10Zr0.8 boasts a T-c = 181 degrees C, which is higher than the Tc values of all known Ce-Fe binary compounds, and 30 degrees C higher than that of Ce2Fe14B. These interesting properties stimulate continued search for new Ce-based permanent magnets that could be a cost effective solution to engineering needs in the future. (c) 2013 Elsevier B.V. All rights reserved.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25953551','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25953551"><span>Improvement of bio-corrosion resistance for Ti42Zr40Si15Ta3 metallic glasses in simulated body fluid by annealing within supercooled liquid region.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Huang, C H; Lai, J J; Wei, T Y; Chen, Y H; Wang, X; Kuan, S Y; Huang, J C</p> <p>2015-01-01</p> <p>The effects of the nanocrystalline phases on the bio-corrosion behavior of highly bio-friendly Ti42Zr40Si15Ta3 metallic glasses in simulated body fluid were investigated, and the findings are compared with our previous observations from the Zr53Cu30Ni9Al8 metallic glasses. The Ti42Zr40Si15Ta3 metallic glasses were annealed at temperatures above the glass transition temperature, Tg, with different time periods to result in different degrees of α-Ti nano-phases in the amorphous matrix. The nanocrystallized Ti42Zr40Si15Ta3 metallic glasses containing corrosion resistant α-Ti phases exhibited more promising bio-corrosion resistance, due to the superior pitting resistance. This is distinctly different from the previous case of the Zr53Cu30Ni9Al8 metallic glasses with the reactive Zr2Cu phases inducing serious galvanic corrosion and lower bio-corrosion resistance. Thus, whether the fully amorphous or partially crystallized metallic glass would exhibit better bio-corrosion resistance, the answer would depend on the crystallized phase nature. Copyright © 2015 Elsevier B.V. All rights reserved.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_16");'>16</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li class="active"><span>18</span></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_18 --> <div id="page_19" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li class="active"><span>19</span></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="361"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26773648','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26773648"><span>Degradation of Zr-based bulk metallic glasses used in load-bearing implants: A tribocorrosion appraisal.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Zhao, Guo-Hua; Aune, Ragnhild E; Mao, Huahai; Espallargas, Nuria</p> <p>2016-07-01</p> <p>Owing to the amorphous structure, Bulk Metallic Glasses (BMGs) have been demonstrating attractive properties for potential biomedical applications. In the present work, the degradation mechanisms of Zr-based BMGs with nominal compositions Zr55Cu30Ni5Al10 and Zr65Cu18Ni7Al10 as potential load-bearing implant material were investigated in a tribocorrosion environment. The composition-dependent micro-mechanical and tribological properties of the two BMGs were evaluated prior to the tribocorrosion tests. The sample Zr65-BMG with a higher Zr content exhibited increased plasticity but relatively reduced wear resistance during the ball-on-disc tests. Both BMGs experienced abrasive wear after the dry wear test under the load of 2N. The cross-sectional subsurface structure of the wear track was examined by Focused Ion Beam (FIB). The electrochemical properties of the BMGs in simulated body fluid were evaluated by means of potentiodynamic polarization and X-ray Photoelectron Spectroscopy (XPS). The spontaneous passivation of Zr-based BMGs in Phosphate Buffer Saline solution was mainly attributed to the highly concentrated zirconium cation (Zr(4+)) in the passive film. The tribocorrosion performance of the BMGs was investigated using a reciprocating tribometer equipped with an electrochemical cell. The more passive nature of the Zr65-BMG had consequently a negative influence on its tribocorrosion resistance, which induced the wear-accelerated corrosion and eventually speeded-up the degradation process. It has been revealed the galvanic coupling was established between the depassivated wear track and the surrounding passive area, which is the main degradation mechanism for the passive Zr65-BMG subjected to the tribocorrosion environment. Copyright © 2015 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JMEP...26.6219L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JMEP...26.6219L"><span>Effect of MoSi2 Content on Dry Sliding Tribological Properties of Zr-Based Bulk Metallic Glass Composites</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Liu, Longfei; Yang, Jun</p> <p>2017-12-01</p> <p>Zr55Cu30Al10Ni5 bulk metallic glass and its composites were prepared by suction casting into a copper mold. The effect of MoSi2 content on the tribological behavior of Zr55Cu30Al10Ni5 BMG was studied by using a high-speed reciprocating friction and wear tester. The results indicate that the friction coefficient and wear resistance of the BMGs can be improved by a certain amount of crystalline phase induced by MoSi2 content from 1 to 3% and deteriorated with MoSi2 content of 4%. The wear mechanism of both the metallic glass and its composite is abrasive wear. The mechanism of crystalline phase-dependent tribological properties of the composite was discussed based on the wear track and mechanical properties in the present work. The wear behavior of Zr55Cu30Al10Ni5 BMG and its composite indicates that a good combination of the toughness and the hardness can make the composite be well wear resistant.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19850044214&hterms=perovskite&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D20%26Ntt%3Dperovskite','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19850044214&hterms=perovskite&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D20%26Ntt%3Dperovskite"><span>The identification of group II inclusions in carbonaceous chondrites by electron probe microanalysis of perovskite</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Kornacki, A. S.; Wood, J. A.</p> <p>1985-01-01</p> <p>The technique developed by Kornacki (1984) for identifying group II Ca/Al-rich inclusions in carbonaceous chondrites by electron-microprobe analysis of the ZrO2 or Y2O3 content of their perovskite component is demonstrated using material from 20 Allende inclusions. The results are presented in tables and graphs and compared with findings obtained by other procedures. Group II inclusions are found to have perovskites generally containing less than 0.10 wt pct ZrO2 and/or Y2O3 (average of several grains), while those of groups I, III, V, and VI have more than 0.25 wt pct ZrO2. Analysis of data on eight Allende Ca/Al-rich inclusions shows that 75 percent of the fine-grained inclusions belong to group II. The implications of these findings for fractionation processes in the primitive solar nebula are indicated.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22577784-temperature-induced-phase-transition-camn-sub-zr-sub-po-sub-sub-phosphate','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22577784-temperature-induced-phase-transition-camn-sub-zr-sub-po-sub-sub-phosphate"><span>Temperature induced phase transition of CaMn{sub 0.5}Zr{sub 1.5}(PO{sub 4}){sub 3} phosphate</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Orlova, Maria, E-mail: maria.p.orlova@gmail.com; Perfler, Lukas; Tribus, Martina</p> <p>2016-03-15</p> <p>In this work we investigated the structural behaviour of a CaMn{sub 0.5}Zr{sub 1.5}(PO{sub 4}){sub 3}. Due to the presence of divalent Mn{sup 2+} cations this compound can possess interesting luminescence properties. It was recently understood that this phosphate undergoes a temperature induced irreversible phase transition in the range of 800–875 °C. It has also been shown that the 3d–3d luminescence of Mn{sup 2+} increases 10 fold for the high temperature polymorph. To determine the Mn environment structural investigations of both phases have been performed by the X-ray powder diffraction and Raman spectroscopy methods. The low temperature modification adopts the trigonalmore » NZP structure type with a slightly lower symmetry (space group R32, a=8.7850(2) Å, c=22.6496(7) Å, V=1514.8(1) Å{sup 3}). The high temperature form in turn has orthorhombic symmetry (space group Pnma, a=6.2350(3) Å, b=6.6281(3) Å, c=14.4731(6) Å, V=598.13(5) Å{sup 3}). Both structures were solved ab-initio from powder data and structural analysis was performed. In-situ and RT Raman spectra are consistent with the XRD derived structural model. Mn{sup 2+} cations occupy different types of positions in these structures and a change in Mn coordination number (6 for LT phase, 7 for HT phase) results in different Mn–O bond lengths. These differences may explain the change in the optical properties between the polymorphs. - Graphical abstract: The compound CaMn{sub 0.5}Zr{sub 1.5}(PO{sub 4}){sub 3} was synthesized in order to create a material with enhanced luminescent properties. The goal of present studies is to define Mn{sup 2+} environment and its changes due to the structural transformations of the phosphate along phase transition at the T range of 800–875 °C. It was found that LT modification adopts the trigonal NZP structure type, sp.gr. R32, the HT form in turn exhibits orthorhombic symmetry sp.gr. Pnma. Mn2+ cations occupy different types of positions in those structures and a change in coordination number of Mn (6 for LT phase, 7 for HT phase) results in a change in Mn–O bond lengths.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014MMTB...45.1057J','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014MMTB...45.1057J"><span>-Based Slag System</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Jiang, Binbin; Wang, Wanlin; Sohn, Il; Wei, Juan; Zhou, Lejun; Lu, Boxun</p> <p>2014-06-01</p> <p>The crystallization behavior of a CaO-Al2O3-based slag system with various ZrO2 content (from 1 to 5 wt pct) and CaO/Al2O3 (C/A) ratio (from 0.8 to 1.2) has been studied by using single hot thermocouple technology (SHTT) in this article. The continuous-cooling-transformation (CCT) diagrams and time-temperature-transformation (TTT) diagrams of the above slag system were constructed for the analysis of the varying crystallization behaviors. The results suggested that Al2O3 tended to enhance the slag samples crystallization when the C/A ratio ranged from 0.8 to 1.2, and the critical cooling rate and crystallization temperature increased with the decrease of C/A ratio; meanwhile, the incubation time was also getting shorter with the reduction of C/A ratio. The addition of ZrO2 would enhance the crystallization of slag samples because of the induced heterogeneous nucleation of molten slag. However, the general crystallization was determined by the balance between molten slag viscosity and heterogeneous nucleation, such that Sample 3 (C/A = 1.0, ZrO2 = 3 pct, B2O3 = 10 pct, Li2O = 3 pct [in wt pct]) would demonstrate the strongest crystallization kinetics in a high-temperature zone. The different crystals formed during the tests were also analyzed by scanning electron microscopy (SEM) and X-ray diffraction (XRD).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JaJAP..56l7201T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JaJAP..56l7201T"><span>Epitaxial growth of metallic buffer layer structure and c-axis oriented Pb(Mn1/3,Nb2/3)O3-Pb(Zr,Ti)O3 thin film on Si for high performance piezoelectric micromachined ultrasonic transducer</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Thao, Pham Ngoc; Yoshida, Shinya; Tanaka, Shuji</p> <p>2017-12-01</p> <p>This paper reports on the development of a metallic buffer layer structure, (100) SrRuO3 (SRO)/(100) Pt/(100) Ir/(100) yttria-stabilized zirconia (YSZ) layers for the epitaxial growth of a c-axis oriented Pb(Mn1/3,Nb2/3)O3-Pb(Zr,Ti)O3 (PMnN-PZT) thin film on a (100) Si wafer for piezoelectric micro-electro mechanical systems (MEMS) application. The stacking layers were epitaxially grown on a Si substrate under the optimal deposition condition. A crack-free PMnN-PZT epitaxial thin films was obtained at a thickness up to at least 1.7 µm, which is enough for MEMS applications. The unimorph MEMS cantilevers based on the PMnN-PZT thin film were fabricated and characterized. As a result, the PMnN-PZT thin film exhibited -10 to -12 C/m2 as a piezoelectric coefficient e 31,f and ˜250 as a dielectric constants ɛr. The resultant FOM for piezoelectric micromachined ultrasonic transducer (pMUT) is higher than those of general PZT and AlN thin films. This structure has a potential to provide high-performance pMUTs.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=19890013299&hterms=spray+deposition&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D90%26Ntt%3Dspray%2Bdeposition','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=19890013299&hterms=spray+deposition&qs=Ntx%3Dmode%2Bmatchall%26Ntk%3DAll%26N%3D0%26No%3D90%26Ntt%3Dspray%2Bdeposition"><span>Vacuum plasma spray coating</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Holmes, Richard R.; Mckechnie, Timothy N.</p> <p>1989-01-01</p> <p>Currently, protective plasma spray coatings are applied to space shuttle main engine turbine blades of high-performance nickel alloys by an air plasma spray process. Originally, a ceramic coating of yttria-stabilized zirconia (ZrO2.12Y2O3) was applied for thermal protection, but was removed because of severe spalling. In vacuum plasma spray coating, plasma coatings of nickel-chromium-aluminum-yttrium (NiCrAlY) are applied in a reduced atmosphere of argon/helium. These enhanced coatings showed no spalling after 40 MSFC burner rig thermal shock cycles between 927 C (1700 F) and -253 C (-423 F), while current coatings spalled during 5 to 25 test cycles. Subsequently, a process was developed for applying a durable thermal barrier coating of ZrO2.8Y2O3 to the turbine blades of first-stage high-pressure fuel turbopumps utilizing the enhanced NiCrAlY bond-coating process. NiCrAlY bond coating is applied first, with ZrO2.8Y2O3 added sequentially in increasing amounts until a thermal barrier coating is obtained. The enchanced thermal barrier coating has successfully passed 40 burner rig thermal shock cycles.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5517111','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5517111"><span>Prediction and synthesis of a family of atomic laminate phases with Kagomé-like and in-plane chemical ordering</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Dahlqvist, Martin; Lu, Jun; Meshkian, Rahele; Tao, Quanzheng; Hultman, Lars; Rosen, Johanna</p> <p>2017-01-01</p> <p>The enigma of MAX phases and their hybrids prevails. We probe transition metal (M) alloying in MAX phases for metal size, electronegativity, and electron configuration, and discover ordering in these MAX hybrids, namely, (V2/3Zr1/3)2AlC and (Mo2/3Y1/3)2AlC. Predictive theory and verifying materials synthesis, including a judicious choice of alloying M from groups III to VI and periods 4 and 5, indicate a potentially large family of thermodynamically stable phases, with Kagomé-like and in-plane chemical ordering, and with incorporation of elements previously not known for MAX phases, including the common Y. We propose the structure to be monoclinic C2/c. As an extension of the work, we suggest a matching set of novel MXenes, from selective etching of the A-element. The demonstrated structural design on simultaneous two-dimensional (2D) and 3D atomic levels expands the property tuning potential of functional materials. PMID:28776034</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25906805','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25906805"><span>Comparison of Shade of Ceramic with Three Different Zirconia Substructures using Spectrophotometer.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Habib, Syed Rashid; Shiddi, Ibraheem F Al</p> <p>2015-02-01</p> <p>This study assessed how changing the Zirconia (Zr) substructure affected the color samples after they have been overlaid by the same shade of veneering ceramic. Three commercial Zr materials were tested in this study: Prettau(®) Zirconia (ZirKonZahn, Italy), Cercon (Dentsply, Germany) and InCoris ZI (Sirona, Germany). For each system, 15 disk-shaped specimens (10 × 1 mm) were fabricated. Three shades of A1, A2 and A3.5 of porcelain (IPS e.MaxCeram, IvoclarVivadent, USA) were used for layering the specimens. Five specimens from each type of Zr were layered with same shade of ceramic. Color measurements were recorderd by a spectrophotometer Color-Eye(®) 7000A (X-Rite, Grand Rapids, MI). Mean values of L, a, b color coordinates and ΔE were recorded and comparisons were made. Differences in the ΔE were recorded for the same porcelain shade with different Zr substructures and affected the color of the specimens (p < 0.01, ANOVA). The maximum difference between the ΔE values for the A1, A2 and A3.5 shades with three types of Zr substructures was found to be 1.59, 1.69 and 1.45 respectively. Multiple comparisons of the ΔE with PostHoc Tukey test revealed a statistically significant difference (p < 0.05) between the three types of Zr, except between Type 2 Zr and Type 3 Zr for the Shade A1. The mean values of L, a, b and ΔE for the Prettau(®) Zirconia substructure were found to be the least among the three types. The brand of Zr used influences the final color of the all ceramic Zr based restorations and this has clinical significance.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1433996-sczrnbrhpd-sczrnbtarhpd-high-entropy-alloy-superconductors-cscl-type-lattice','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1433996-sczrnbrhpd-sczrnbtarhpd-high-entropy-alloy-superconductors-cscl-type-lattice"><span>Sc–Zr–Nb–Rh–Pd and Sc–Zr–Nb–Ta–Rh–Pd High-Entropy Alloy Superconductors on a CsCl-Type Lattice</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Stolze, Karoline; Tao, Jing; von Rohr, Fabian O.</p> <p></p> <p>We have synthesized previously unreported High-Entropy Alloys (HEAs) in the pentanary (ScZrNb) 1-x[RhPd] x and hexanary (ScZrNbTa) 1-x[RhPd] x systems. The materials have CsCl-type structures and mixed site occupancies. Both HEAs are type-II superconductors with strongly varying critical temperatures (T cs) depending on the valence electron count (VEC); the T cs increase monotonically with decreasing VEC within each series, and do not follow the trends seen for either crystalline or amorphous transition metal superconductors. The (ScZrNb) 0.65[RhPd] 0.35 HEA with the highest T c, ~9.3 K, also exhibits the largest µ 0H c2(0) = 10.7 T. The pentanary and hexanarymore » HEAs have higher superconducting transition tempera-tures than their simple binary intermetallic relatives with the CsCl-type structure and a surprisingly ductile mechanical behavior. The presence of niobium, even at the 20% level, has a positive impact on the T c. Nevertheless, niobium-free (ScZr) 0.50[RhPd] 0.50, as mother-compound of both superconducting HEAs found here, is itself superconducting, proving that superconductivity is an intrinsic feature of the bulk material.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1433996-sczrnbrhpd-sczrnbtarhpd-high-entropy-alloy-superconductors-cscl-type-lattice','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1433996-sczrnbrhpd-sczrnbtarhpd-high-entropy-alloy-superconductors-cscl-type-lattice"><span>Sc–Zr–Nb–Rh–Pd and Sc–Zr–Nb–Ta–Rh–Pd High-Entropy Alloy Superconductors on a CsCl-Type Lattice</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Stolze, Karoline; Tao, Jing; von Rohr, Fabian O.; ...</p> <p>2018-01-17</p> <p>We have synthesized previously unreported High-Entropy Alloys (HEAs) in the pentanary (ScZrNb) 1-x[RhPd] x and hexanary (ScZrNbTa) 1-x[RhPd] x systems. The materials have CsCl-type structures and mixed site occupancies. Both HEAs are type-II superconductors with strongly varying critical temperatures (T cs) depending on the valence electron count (VEC); the T cs increase monotonically with decreasing VEC within each series, and do not follow the trends seen for either crystalline or amorphous transition metal superconductors. The (ScZrNb) 0.65[RhPd] 0.35 HEA with the highest T c, ~9.3 K, also exhibits the largest µ 0H c2(0) = 10.7 T. The pentanary and hexanarymore » HEAs have higher superconducting transition tempera-tures than their simple binary intermetallic relatives with the CsCl-type structure and a surprisingly ductile mechanical behavior. The presence of niobium, even at the 20% level, has a positive impact on the T c. Nevertheless, niobium-free (ScZr) 0.50[RhPd] 0.50, as mother-compound of both superconducting HEAs found here, is itself superconducting, proving that superconductivity is an intrinsic feature of the bulk material.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/6198176-spinel-ybfe2o4-yb2fe3o7-types-structure-compounds-in2o3-sc2o3-a2o3-bo-systems-fe-ga-al-mg-mn-fe-ni-cu-zn-temperatures-over','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/6198176-spinel-ybfe2o4-yb2fe3o7-types-structure-compounds-in2o3-sc2o3-a2o3-bo-systems-fe-ga-al-mg-mn-fe-ni-cu-zn-temperatures-over"><span>Spinel, YbFe2O4, and Yb2Fe3O7 types of structure for compounds in the In2O3 and Sc2O3-A2O3-BO systems (A: Fe, Ga, or Al; B: Mg, Mn, Fe, Ni, Cu, or Zn) at temperatures over 1000C</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Kimizuka, N.; Mohri, T.</p> <p></p> <p>In the Sc2O3-Ga2O3-CuO, Sc2O3-Ga2O3-ZnO, and Sc2O3-Al2O3-CuO systems, ScGaCuO4, ScGaZnO4, and ScAlCuO4 with the YbFe2O4-type structure and Sc2Ga2CuO7 with the Yb2Fe3O7-type structure were obtained. In the In2O3-A2O3-BO systems (A: Fe, Ga, or Al; B: Mg, Mn, Fe, Ni, or Zn), InGaFeO4, InGaNiO4, and InFeT MgO4 with the spinel structure, InGaZnO4, InGaMgO4, and InAl-CuO4 with the YbFe2O4-type structure, and In2Ga2MnO7 and In2Ga2ZnO7 with the Yb2Fe3O7-type structure were obtained. InGaMnO4 and InFe2O4 had both the YbFe2O4-type and spinel-type structures. The revised classification for the crystal structures of AB2O4 compounds is presented, based upon the coordination numbers of constituent A and B cations. 5more » references, 2 tables.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018MS%26E..338a2029N','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018MS%26E..338a2029N"><span>Mechanical Properties and Wear Characteristics Al-ZrO2-SiCp and Graphite Hybrid Metal Matrix Composites</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Nayak, S. K.; Mahanta, T.; Sahoo, J. K.; Mishra, A.</p> <p>2018-03-01</p> <p>Development of Aluminum Metal Matrix Co mposites (AMMCs) has been one of the major requirements in engineering applicat ions due to their excellent mechanical properties, light weight and high strength. In the present investigation, Stir casting technique has been used for fabrication of co mposites, taking Alu miniu m as parent metal, Silicon Carbide (SiCp) of 7 vol. % of 220 mesh size and 1.75 vol. % of graphite as reinforcements. The Zirconia content was varied as 2.75, 4.5 and 6 vol. % to fabricate three d ifferent types of hybrid composites. The tensile strength and hardness were measured in UTM and Vickers hardness tester respectively and the wear characteristics were studied in a pin on disc friction monitor under dry sliding condition against steel counter face. The tensile strength was found to be 90 MPa, 120 MPa, 130 MPa and hardness 80.25 VHN, 103.22 VHN, 103.77 VHN for 2.75, 4.5 and 6vol. % of Zirconia respectively. Fro m the above investigation, it is recommended that composition with Al, 7 %-SiCp, 1.75 % -Gr and 6 vol %-ZrO2 showed better mechanical p roperties i.e . h igh tensile strength (130MPa) and reasonably good hardness (103.77 VHN) . The co mposite with Al, 7 % - SiCp, 1.75 % -Gr and 6 %-ZrO2 is good for short run frictional applicat ion and the composite with Al, 7 %- SiCp, 1.75 % -Gr and 4.5 %- ZrO2 may be used for long run frictional applicat ions after testing.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JNuM..503..290K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JNuM..503..290K"><span>Electrochemical reduction behavior of simplified simulants of vitrified radioactive waste in molten CaCl2</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Katasho, Yumi; Yasuda, Kouji; Nohira, Toshiyuki</p> <p>2018-05-01</p> <p>The electrochemical reduction of two types of simplified simulants of vitrified radioactive waste, simulant 1 (glass component only: SiO2, B2O3, Na2O, Al2O3, CaO, Li2O, and ZnO) and simulant 2 (also containing long-lived fission product oxides, ZrO2, Cs2O, PdO, and SeO2), was investigated in molten CaCl2 at 1103 K. The behavior of each element was predicted from the potential-pO2- diagram constructed from thermodynamic data. After the immersion of simulant 1 into molten CaCl2 without electrolysis, the dissolution of Na, Li, and Cs was confirmed by inductively coupled plasma atomic emission spectrometry and mass spectrometry analysis of the samples. The scanning electron microscopy/energy dispersive X-ray and X-ray diffraction analyses of simulants 1 and 2 electrolyzed at 0.9 V vs. Ca2+/Ca confirmed that most of SiO2 had been reduced to Si. After the electrolysis of simulants 1 and 2, Al, Zr, and Pd remained in the solid phase. In addition, SeO2 was found to remain partially in the solid phase and partially evaporate, although a small quantity dissolved into the molten salt.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/211691-estimation-hamaker-constants-ceramic-materials-from-optical-data-using-lifshitz-theory','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/211691-estimation-hamaker-constants-ceramic-materials-from-optical-data-using-lifshitz-theory"><span>Estimation of Hamaker constants of ceramic materials from optical data using Lifshitz theory</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Bergstroem, L.; Meurk, A.; Rowcliffe, D.J.</p> <p>1996-02-01</p> <p>The Hamaker constants of eight different ceramic materials, 6H-SiC, tetragonal, partially stabilized ZrO{sub 2} (3% Y{sub 2}O{sub 3}), {beta}-Si{sub 3}N{sub 4}, {alpha}-Al{sub 2}O{sub 3}, Y{sub 2}O{sub 3}, sapphire (single-crystal {alpha}-Al{sub 2}O{sub 3}), MgO, MgAl{sub 2}O{sub 4}, and fused silica, across air, water, and n-dodecane at room temperature and across silica at 2,000 K have been calculated from optical data using the Lifshitz theory. Spectroscopic ellipsometry was used to measure the photon energy dependence of the refractive index, n, and the extinction coefficient, k, in the visible and near-UV range on several important ceramic materials. This relatively simple, nondestructive technique hasmore » proved to yield reliable optical data on sintered, polycrystalline materials such as Si{sub 3}N{sub 4}, SiC, ZrO{sub 2}, Al{sub 2}O{sub 3}, and ZnO. For the other materials, Y{sub 2}O{sub 3}, sapphire, MgO, MgAl{sub 2}O{sub 4}, and fused silica, optical data from the literature were used to calculate the Hamaker constants. The calculated Hamaker constants were estimated to be accurate within {+-} 10%.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016PhDT........31Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016PhDT........31Y"><span>X-Ray Absorption Spectroscopy Studies of the Atomic Structure of Zirconium-Doped Lithium Silicate Glasses and Glass-Ceramics, Zirconium-Doped Lithium Borate Glasses, and Vitreous Rare-Earth Phosphates</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yoo, Changhyeon</p> <p></p> <p>In the first part of this work, the atomic-scale structure around rare-earth (RE = Pr, Nd, Eu, Dy, and Er) cations (RE3+) in rare-earth sodium ultraphosphate (REUP) glasses were investigated using RE LIII -edge (RE = Nd, Er, Dy, and Eu) and K-edge (RE = Pr and Dy) Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy. (RE2O 3)x(Na2O)y(P2O5) 1-x-y glasses in the compositional range 0 ≤ x ≤ 0.14 and 0.3 ≤ x + y ≤ 0.4 were studied. For the nearest oxygen shell, the RE-oxygen (RE-O) coordination number decreases from 10.8 to 6.5 with increasing RE content for Pr-, Nd-, Dy-, and Er-doped sodium ultraphosphate glasses. For Eu-doped samples, the Eu-O coordination number was between 7.5 and 8.8. Also, the RE-O mean distance ranges were between 2.43-2.45 A, 2.40-2.43 A, 2.36-2.38 A, 2.30-2.35 A, and 2.28-2.30 A for Pr-, Nd-, Eu-, Dy-, and Er-doped samples, respectively. In the second part, a series of Zr-doped (3-10 mol%) lithium silicate (ZRLS) glass-ceramics and their parent glasses and a series of Zr-doped (2-6 mol% ZrO2) lithium borate (ZRLB) glasses were investigated using Zr K-edge EXAFS and X-ray Absorption Near Edge Structure (XANES) spectroscopy. Immediate coordination environments of all ZRLS glasses are remarkably similar for different compositions. For the nearest oxygen shell, the Zr-O coordination number ranges were between 6.1 and 6.3 for nucleated and crystallized samples, respectively. Also, the Zr-O mean distance remains similar around 2.10 A. For these glasses, the composition dependence of structural parameters was small. Small changes in the coordination environment were observed for ZRLS glass-ceramics after thermal treatments. In contrast, Zr coordination environment in ZRLB glasses appear to depend appreciably on the Zr concentration. For the nearest oxygen shell, the Zr-O coordination number increased from 6.1 to 6.8 and the Zr-O distance decreased from 2.18 A to 2.14 A with decreasing ZrO2 content.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2011AIPA....1d2138O','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2011AIPA....1d2138O"><span>Fabrication and magnetic properties of Fe and Co co-doped ZrO2</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Okabayashi, J.; Kono, S.; Yamada, Y.; Nomura, K.</p> <p>2011-12-01</p> <p>We investigate the effects of Fe and Co co-doping on the magnetic and electronic properties of ZrO2 ceramics prepared by a sol-gel method, and study their dependence on the annealing temperature. Dilute Fe and Co co-doping into ZrO2 exhibits ferromagnetic behavior at room temperature for annealing temperatures above 900 °C, accompanying the phase transition from tetragonal to monoclinic structure in ZrO2. The electronic structures are studied by x-ray absorption spectroscopy and Mössbauer spectroscopy, which suggest that the Fe3+ and Co2+/Co3+ mixing states are dominant in Fe and Co co-doped ZrO2.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22617175-structural-features-microscopic-dynamics-three-component-zr-sub-cu-sub-al-sub-system-equilibrium-melt-supercooled-melt-amorphous-alloy','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22617175-structural-features-microscopic-dynamics-three-component-zr-sub-cu-sub-al-sub-system-equilibrium-melt-supercooled-melt-amorphous-alloy"><span>Structural features and the microscopic dynamics of the three-component Zr{sub 47}Cu{sub 46}Al{sub 7} system: Equilibrium melt, supercooled melt, and amorphous alloy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Khusnutdinoff, R. M., E-mail: khrm@mail.ru; Mokshin, A. V., E-mail: anatolii.mokshin@mail.ru; Klumov, B. A.</p> <p>2016-08-15</p> <p>The structural and dynamic properties of the three-component Zr{sub 47}Cu{sub 46}Al{sub 7} system are subjected to a molecular dynamics simulation in the temperature range T = 250–3000 K at a pressure p = 1.0 bar. The temperature dependences of the Wendt–Abraham parameter and the translation order parameter are used to determine the glass transition temperature in the Zr{sub 47}Cu{sub 46}Al{sub 7} system, which is found to be T{sub c} ≈ 750 K. It is found that the bulk amorphous Zr{sub 47}Cu{sub 46}Al{sub 7} alloy contains localized regions with an ordered atomic structures. Cluster analysis of configuration simulation data reveals themore » existence of quasi-icosahedral clusters in amorphous metallic Zr–Cu–Al alloys. The spectral densities of time radial distribution functions of the longitudinal (C̃{sub L}(k, ω)) and transverse (C̃{sub T}(k, ω)) fluxes are calculated in a wide wavenumber range in order to study the mechanisms of formation of atomic collective excitations in the Zr{sub 47}Cu{sub 46}Al{sub 7} system. It was found that a linear combination of three Gaussian functions is sufficient to reproduce the (C̃{sub L}(k, ω)) spectra, whereas at least four Gaussian contributions are necessary to exactly describe the (C̃{sub T}(k, ω)) spectra of the supercooled melt and the amorphous metallic alloy. It is shown that the collective atomic excitations in the equilibrium melt at T = 3000 K and in the amorphous metallic alloy at T = 250 K are characterized by two dispersion acoustic-like branches related with longitudinal and transverse polarizations.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22584024-thermotropic-phase-transitions-pb-sub-sr-sub-al-sub-nb-sub-sub-zr-sub-ti-sub-sub-sub-ceramics-temperature-dependent-dielectric-permittivity-raman-scattering','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22584024-thermotropic-phase-transitions-pb-sub-sr-sub-al-sub-nb-sub-sub-zr-sub-ti-sub-sub-sub-ceramics-temperature-dependent-dielectric-permittivity-raman-scattering"><span>Thermotropic phase transitions in Pb{sub 1−x}Sr{sub x}(Al{sub 1/3}Nb{sub 2/3}){sub 0.1}(Zr{sub 0.52}Ti{sub 0.48}){sub 0.9}O{sub 3} ceramics: Temperature dependent dielectric permittivity and Raman scattering</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Li, C. Q.; Peng, L.; Jiang, K.</p> <p>2015-06-15</p> <p>The phase transitions of Pb{sub 1−x}Sr{sub x}(Al{sub 1/3}Nb{sub 2/3}){sub 0.1}(Zr{sub 0.52}Ti{sub 0.48}){sub 0.9}O{sub 3} (Sr-modified PAN-PZT) ceramics with Sr compositions of x = 2%, 5%, 10% and 15% have been investigated using X-ray diffraction (XRD), temperature dependent dielectric permittivity and Raman scattering. The XRD analysis show that the phase transition occurs between Sr composition of 5% and 10%. Based on the broad dielectric peaks at 100 Hz, the diffused phase transition from tetragonal (T) to cubic (C) structure shifts to lower temperature with increasing Sr composition. The dramatic changes of wavenumber and full width at half-maximum (FWHM) for E(TO{sub 4})′more » softing mode can be observed at morphotropic phase boundary (MPB). Moreover, the MPB characteristic shows a wider and lower trend of temperature region with increasing Sr composition. It could be ascribed to the diminishment of the energy barrier and increment of A-cation entropy. Therefore, the Sr-modified PAN-PZT ceramics unambiguously undergo two successive structural transitions (rhombohedral-tetragonal-cubic phase) with temperature from 80 to 750 K. Correspondingly, the phase diagram of Sr-modified PAN-PZT ceramics can be well depicted.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JPhCS.857a2004B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JPhCS.857a2004B"><span>About properties of ZrO2 thermal protective coatings obtained from spherical powder mixtures</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Berdnik, O. B.; Tsareva, I. N.; Tarasenko, Yu P.</p> <p>2017-05-01</p> <p>It is developed the technology of high-energy plasma spraying of the zirconium dioxide (ZrO2) thermal protective coating on the basis of ZrO2 tetragonal and cubic phases with the spheroidal grain shape and the columnar substructure, with the total porosity P = 4 %, the hardness HV = 12 GPa, the roughness parameter R a ˜ 6 μm, the thickness 0.3-3 mm. As a sublayer it is used the heat-resistant coating of “Ni-Co-Cr-Al-Y” system with an intermetallic phase composition and the layered microstructure of the grains.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_17");'>17</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li class="active"><span>19</span></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_19 --> <div id="page_20" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li class="active"><span>20</span></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="381"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA219183','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA219183"><span>Structure-Property Relations in Aluminum-Lithium Alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>1989-01-01</p> <p>adsorbed ( Mughrabi et al , 1983). Such dislocations could not re-enter the grain during the reverse cycle of stress and the associated slip would be...ASTM STP 601, ASTM, 33 Mughrabi , H., Wang, R., Differt, D., Essmann, U. (1983) ASTM STP 811, ASTM, 5 Muller, W. et al (1986) Aluminium-Lithium Alloys...behaviour of Al -Li-Cu-Mg-Zr alloys ...... 34 2.4 Mechanical behaviour ......................................... 35 2.4.1 Elastic modulus</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27877668','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27877668"><span>First-principles quantum molecular dynamics study of Ti x Zr1-x N(111)/SiN y heterostructures and comparison with experimental results.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Ivashchenko, Volodymyr; Veprek, Stan; Pogrebnjak, Alexander; Postolnyi, Bogdan</p> <p>2014-04-01</p> <p>The heterostructures of five monolayers B1-Ti x Zr 1- x N(111), x = 1.0, 0.6, 0.4 and 0.0 (where B1 is a NaCl-type structure) with one monolayer of a Si 3 N 4 -like Si 2 N 3 interfacial layer were investigated by means of first-principles quantum molecular dynamics and a structure optimization procedure using the Quantum ESPRESSO code. Slabs consisting of stoichiometric TiN and ZrN and random, as well as segregated, B1-Ti x Zr 1- x N(111) solutions were considered. The calculations of the B1-Ti x Zr 1- x N solid solutions, as well as of the heterostructures, showed that the pseudo-binary TiN-ZrN system exhibits a miscibility gap. The segregated heterostructures in which Zr atoms surround the Si y N z interface were found to be the most stable. For the Zr-rich heterostructures, the total energy of the random solid solution was lower compared to that of the segregated one, whereas for the Ti-rich heterostructures the opposite tendency was observed. Hard and super hard Zr-Ti-Si-N coatings with thicknesses from 2.8 to 3.5 μ m were obtained using a vacuum arc source with high frequency stimulation. The samples were annealed in a vacuum and in air at 1200 °C. Experimental investigations of Zr-Ti-N, Zr-Ti-Si-N and Ti-Si-N coatings with different Zr, Ti and Si concentrations were carried out for comparison with results obtained from Ti x Zr 1 - x N(111)/SiN y systems. During annealing, the hardness of the best series samples was increased from (39.6 ± 1.4) to 53.6 GPa, which seemed to indicate that a spinodal segregation along grain interfaces was finished. A maximum hardness of 40.8 GPa before and 55 GPa after annealing in air at 500 °C was observed for coatings with a concentration of elements of Si≽ (7-8) at.%, Ti ≽ 22 at.% and Zr ⩽ 70 at.%.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015MMTA...46.1385D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015MMTA...46.1385D"><span>Microstructural and Mechanical Characterization of Ti-12Mo-6Zr Biomaterials Fabricated by Spark Plasma Sintering</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Daoush, Walid Mohamed Rashad Mohamed; Park, Hee Sup; Inam, Fawad; Lim, Byung Kyu; Hong, Soon Hyung</p> <p>2015-03-01</p> <p>Ti-12Mo-6Zr/Al2O3 (titanium biomaterial) was prepared by a powder metallurgy route using Spark Plasma Sintering (SPS). Ti, Mo, and Zr powders were mixed by wet milling with different content of alumina nanoparticles (up to 5 wt pct) as an oxide dispersion strengthening phase. Composite powder mixtures were SPSed at 1273 K (1000 °C) followed by heat treatment and quenching. Composite powders, sintered materials, and heat-treated materials were examined using optical and high-resolution electronic microscopy (scanning and transmission) and X-ray diffraction to characterize particle size, surface morphology, and phase identifications for each composition. All sintered materials were evaluated by measuring density, Vickers hardness, and tensile properties. Fully dense sintered materials were produced by SPS and mechanical properties were found to be improved by subsequent heat treatment. The tensile properties as well as the hardness were increased by increasing the content of Al2O3 nanoparticles in the Ti-12Mo-6Zr matrix.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20050214701','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20050214701"><span>Creep Resistance of ZrO2 Ceramic Improved by the Addition of a Small Amount of Er2O3</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Martinez-Fernandez, Julian; Sayir, Ali; Farmer, Serene C.</p> <p>2003-01-01</p> <p>Zirconia (ZrO2) has great technological importance in structural, electrical, and chemical applications. It is the crucial component for state-of-the art thermal barrier coatings and an enabling component as a solid electrolyte for solid-oxide fuel cell systems. Pure ZrO2 is of limited use for industrial applications because of the phase transformations that occur. Upon the addition of stabilizers, cubic (c-ZrO2) and tetragonal (t-ZrO2) forms can be preserved. It is the stabilized and partially stabilized forms of zirconia that function as thermal barrier coatings, solid electrolytes, and oxygen sensors and that have numerous applications in the electrochemical industry. The cubic form of ZrO2 is typically stabilized through Y2O3 additions. However, Y2O3-stabilized zirconia is susceptible to deformation at high temperatures (greater than 900 C) because of the large number of slip systems and the high oxygen diffusion rates, which result in high creep rates at high temperatures. Successful use of ZrO2 at high temperatures requires that new dopant additives be found that will retain or enhance the desirable properties of cubic ZrO2 and yet produce a material with lower creep rates. At the NASA Glenn Research Center, erbium oxide (Er2O3) was identified as a promising dopant for improving the creep resistance of. ZrO2. The selection of Er2O3 was based on the strong interactions of point defects and dislocations. Single crystals of 5 mol% Er2O3- doped ZrO2 rods (4 mm in diameter) and monofilaments (200 to 300 mm in diameter and 30 cm long) were grown using the laser-heated float zone technique, and their creep behavior was measured as a function of temperature. The addition of 5 mol% Er2O3 to single-crystal ZrO2 improved its creep resistance at high temperatures by 2 to 3 orders of magnitude over state-of-the-art Y2O3-doped crystals. Detailed microstructural characterization of ZrO2-Er2O3 single crystals has identified new mechanisms for improving the creep resistance of this class of materials. Adding Er2O3 to ZrO2 results in microstructure of stable and metastable tetragonal precipitates that with thermal treatment evolve to a tweed structure of nanosize tetragonal lamellae. The superior high-temperature creep resistance of Er2O3-doped ZrO2 is attributed to nanoscale precipitation hardening. Doping with Er2O3 will significantly increase the upper-use temperature limit of ZrO2. Potential applications include using Er2O3-doped ZrO2 as a high-temperature fiber for structural applications and adding Er2O3 to reduce the sintering rates of ZrO2 thermal barrier coatings. This work was conducted at Dpto. de F sica de la Materia Condensada, Universidad de Sevilla, Spain, and at NASA Glenn.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016PhDT.......141D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016PhDT.......141D"><span>Investigation and modeling of Al3(Sc, Zr) precipitation strengthening in the presence of enhanced supersaturation and within Al-Cu binary alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Deane, Kyle</p> <p></p> <p>Diffuse Al-Sc and Al-Zr alloys have been demonstrated in literature to be relatively coarsening resistant at higher temperatures when compared with commonly used precipitation strengthening alloys (e.g. 2000 series, 6000 series). However, because of a limited strengthening due to the low solubility of scandium and zirconium in aluminum, and owing to the scarcity and therefore sizeable price tag attached to scandium, little research has been done in the way of optimizing these alloys for commercial applications. With this in mind, this dissertation describes research which aims to tackle several important areas of Al-Sc-Zr research that have been yet unresolved. In Chapter 4, rapid solidification was utilized to enhance the achievable supersaturation of the alloy in an effort to increase the achievable precipitate strengthening. In Chapter 5, Additive Friction Stir processing (AFS), a novel method of mechanically combining materials without melting, was employed in an attempt to pass the benefits of supersaturation from melt spun ribbon into a more structurally useful bulk material. In Chapter 6, a Matlab program written to predict precipitate nucleation, growth, and coarsening with a modified Kampmann and Wagner Numerical (KWN) model, was used to predict heat treatment regimens for more efficient strengthening. Those predictions were then tested experimentally to test the validity of the results. And lastly, in Chapter 7, the effect of zirconium on Al-Cu secondary precipitates was studied in an attempt to increase their thermal stability, as much higher phase fractions of Al-Cu precipitates are achievable than Al-Zr precipitates.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018JPhCS.994a2011N','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018JPhCS.994a2011N"><span>Structural Studies of dielectric HDPE+ZrO2 polymer nanocomposites: filler concentration dependences</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Nabiyev, A. A.; Islamov, A. Kh; Maharramov, A. M.; Nuriyev, M. A.; Ismayilova, R. S.; Doroshkevic, A. S.; Pawlukojc, A.; Turchenko, V. A.; Olejniczak, A.; Rulev, M. İ.; Almasan, V.; Kuklin, A. I.</p> <p>2018-03-01</p> <p>Structural properties of HDPE+ZrO2 polymer nanocomposites thin films of 80-100μm thicknesses were investigated using SANS, XRD, Laser Raman and FTIR spectroscopy. The mass fraction of the filler was 1, 3, 10, and 20%. Results of XRD analysis showed that ZrO2 powder was crystallized both in monoclinic and in cubic phase under normal conditions. The percentages of monoclinic and cubic phase were found to be 99.8% and 0.2%, respectively. It was found that ZrO2 nanoparticles did not affect the main crystal and chemical structure of HDPE, but the degree of crystallinity of the polymer decreases with increasing concentration of zirconium oxide. SANS experiments showed that at ambient conditions ZrO2 nanoparticles mainly distributed like mono-particles in the polymer matrix at all concentrations of filler.The structure of HDPE+ZrO2 does not changes up to 132°C at 1-3% of filler, excepting changing of the polymer structure at temperatures upper 82°C. At high concentrations of filler 10-20% the aggregation of ZrO2 nanoparticles occurs, forming domains of 2.5μm. The results of Raman and FTIR spectroscopy did not show additional specific chemical bonds between the filler and the polymer matrix. New peaks formation was not observed. These results suggest that core-shell structure does not exist in the polymer nanocomposite system.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA176362','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA176362"><span>Investigation of Ce(3+) Dopant in Appropriate Hosts for Blue Green Lasers.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>1986-11-25</p> <p>crystal of La(A10 .8Sc 0 .2 )0 3 doped with 0.01% Ce. During one experiment a small amount of the charge was fused in an iridium crucible. The...from ordering was not observed. Similar results were achieved in Experiment #47 with (LaAlO3 ) 0 .5 (SrZrO 3 )0 5 composition. Small additions of...compositions evaluated, enlarged cubic cells could not be formed by ordering. Small additions of less than 5% of BaZrO 3 or SrZrO 3 to LaAIO 3 produced</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014JMMM..360..217P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014JMMM..360..217P"><span>Low-temperature specific heat of uranium germanides</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Pikul, A.; Troć, R.; Czopnik, A.; Noël, H.</p> <p>2014-06-01</p> <p>We report measurements of the specific heat down to the lowest temperature of 2 K for the paramagnetic binaries U5Ge4 (Ti5Ga4-type) and UGe (ThIn-type) as well as for the ferromagnetic binaries U3Ge5-x (x=0.2) and UGe2-x (x=0.3) (with TC=94 and 47 K) having defect crystal structures of the AlB2- and ThSi2-type, respectively. The obtained data were compared to those of other uranium germanides which have been earlier studied: UGe2 (ZrGa2) and UGe3 (Cu3Au). Among all these germanides, only UGe exhibits enhanced electronic specific heat coefficient, γ(0), equal to 137 mJ/molUK2. This value can be compared to that derived for the most known spin fluctuator, UAl2 (143 mJ/molUK2). The other uranium germanides have less enhanced γ(0) values (27-65 mJ/molUK2). The lowest value of about 20 mJ/molUK2 was reported earlier for the typical temperature independent paramagnet UGe3. For the ferromagnetic new phase UGe2-x the inferred magnetic entropy, Sm, reaches at the Curie temperature, TC, a value of R ln 2 which corresponds to a doublet ground state of the uranium ion in this deficit digermanide.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/6070054-synthesis-structural-characterization-sub-me-sub-zr-sub-sub-sup-complexes','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/6070054-synthesis-structural-characterization-sub-me-sub-zr-sub-sub-sup-complexes"><span>Synthesis and structural characterization of (C sub 5 Me sub 5 )Zr(R) sub 2 (L) sub n sup + complexes</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Crowther, D.J.; Jordan, R.F.; Baenziger, N.C.</p> <p>1990-09-01</p> <p>The reaction of (C{sub 5}Me{sub 5})Zr(CH{sub 3}){sub 3} with ((C{sub 5}H{sub 4}Me){sub 2}Fe)(BPh{sub 4}) in THF yields ((C{sub 5}Me{sub 5})Zr(CH{sub 3}){sub 2}(THF){sub 2})(BPh{sub 4}) (1) via oxidative cleavage of a Zr-CH{sub 3} bond. X-ray diffraction reveals that the cation of 1 adopts a square-pyramidal/four-legged piano-stool structure with cis CH{sub 3} groups. The orientations of the THF ligands and the Zr-O bond distances suggest that Zr-O {pi}-bonding is important for at least one of the THF ligands. Data for 1: a = 14.551 (2) {angstrom}, b = 15.191 (4) {angstrom}, c = 17.852 (19) {angstrom}, {beta} = 92.26 (3){degree}, V =more » 3,943 (6) {angstrom}{sup 3}, Z = 4 in space group P2{sub 1}/c. Reaction of 1 with excess dmpe in THF solution yields ((C{sub 5}Me{sub 5})Zr(CH{sub 3}){sub 2}(dmpe)(THF))(BPh{sub 4}) (2), which also has been characterized by X-ray diffraction.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/653254-evaluation-zr-ni-mn-sub-laves-phase-alloys-negative-active-material-ni-mh-electric-vehicle-batteries','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/653254-evaluation-zr-ni-mn-sub-laves-phase-alloys-negative-active-material-ni-mh-electric-vehicle-batteries"><span>Evaluation of Zr(Ni, Mn){sub 2} Laves phase alloys as negative active material for Ni-MH electric vehicle batteries</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Knosp, B.; Jordy, C.; Blanchard, P.</p> <p>1998-05-01</p> <p>Laves phase alloys of compositions (Zr, Ti)(Ni, Mn, M){sub x} where M = Cr, V, Co, Al, and 1.9 < x < 2.1 with hexagonal C14 or cubic C15 structure have been studied in order to select the most suitable AB{sub 2} alloys as an active material for nickel-metal hydride (Ni-MH) batteries. With the selected alloy, feasibility of MH negative electrodes using industrial technology and containing more than 97% of the alloy powder has been demonstrated. 22 Ah Ni-MH batteries for electric vehicle application have been assembled, and 600 cycles have been achieved at steady C/3 charge and discharge ratesmore » and 80% depth of discharge.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017Litho.284..560V','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017Litho.284..560V"><span>Geochemistry of komatiites and basalts from the Rio das Velhas and Pitangui greenstone belts, São Francisco Craton, Brazil: Implications for the origin, evolution, and tectonic setting</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Verma, Sanjeet K.; Oliveira, Elson P.; Silva, Paola M.; Moreno, Juan A.; Amaral, Wagner S.</p> <p>2017-07-01</p> <p>The Neoarchean Rio das Velhas and Pitangui greenstone belts are situated in the southern São Francisco Craton, Minas Gerais, Brazil. These greenstone belts were formed between ca. 2.79-2.73 Ga, and consist mostly of mafic to ultramafic volcanics and clastic sediments, with minor chemical sediments and felsic volcanics that were metamorphosed under greenschist facies. Komatiites are found only in the Rio das Velhas greenstone belt, which is composed of high-MgO volcanic rocks that have been identified as komatiites and high-Mg basalts, based on their distinctive geochemical characteristics. The Rio das Velhas komatiites are composed of tremolite + actinolite + serpentine + albite with a relict spinifex-texture. The Rio das Velhas komatiites have a high magnesium content ((MgO)adj ≥ 28 wt.%), an Al-undepleted Munro-type [(Al2O3/TiO2)adj and (CaO/Al2O3)adj] ratio ranging from 27 to 47 and 0.48 to 0.89, relatively low abundances of incompatible elements, a depletion of light rare earth elements (LREE), a pattern of non-fractionated heavy rare- earth elements (HREE), and a low (Gd/Yb)PM ratio (≤ 1.0). Negative Ce anomalies suggest that alteration occurred during greenschist facies metamorphism for the komatiites and high-Mg basalts. The low [(Gd/Yb)PM < 1.0] and [(CaO/Al2O3)adj < 0.9)], high [(Al2O3/TiO2)adj > 18] and high HREE, Y, and Zr content suggest that the Rio das Velhas komatiites were derived from the shallow upper mantle without garnet involvement in the residue. The chemical compositions [(Al2O3/TiO2)adj, (FeO)adj, (MgO)adj, (CaO/Al2O3)adj, Na, Th, Ta, Ni, Cr, Zr, Y, Hf, and REE] indicate that the formation of the komatiites, high-Mg basalts and basalts occurred at different depths and temperatures in a heterogeneous mantle. The komatiites and high-Mg basalts melted at liquidus temperatures of 1450-1550 °C. The Pitangui basalts are enriched in the highly incompatible LILE (large-ion lithophile elements) relative to the moderately incompatible HFS (high field strength) elements. The Zr/Th ratio ranging from 76 to 213 and the relationship between the Nb/Th and Th/Yb ratios indicate that there is no crustal contamination in the Pitangui greenstone basalts. New multi-dimensional discrimination diagrams and conventional normalized multi-element diagrams indicate an island arc (IA) setting for the komatiites and high-Mg basalts from the Rio das Velhas and a mid ocean-ridge (MOR) to IA setting for the basalts from the Pitangui greenstone belts.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1429669-zirconium-tetrachloride-revisited','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1429669-zirconium-tetrachloride-revisited"><span>Zirconium tetrachloride revisited</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; ...</p> <p>2018-02-19</p> <p>We present that zirconium tetrachloride, ZrCl 4, is a strategic material with wide-ranging applications. Until now, only one crystallographic study on ZrCl 4has been reported [Krebs (1970).Z. Anorg. Allg. Chem.378, 263–272] and that was more than 40 years ago. The compound used for the previous determination was prepared from ZrO 2 and Cl 2–CCl 4, and single-crystal X-ray diffraction (SCXRD) studies on ZrCl 4 obtained from Zr metal have not yet been reported. In this context, we prepared ZrCl 4 from the reaction of Zr metal and Cl 2 gas in a sealed tube and investigated its structure at 100,more » 150, 200, 250, and 300 K. At 300 K, the SCXRD analysis indicates that ZrCl 4 crystallizes in the orthorhombic space group Pca2 1 [a= 6.262 (9),b= 7.402 (11),c= 12.039 (17) Å, andV= 558.0 (14) Å 3] and consists of infinite zigzag chains of edge-sharing ZrCl 6 octahedra. This chain motif is similar to that observed previously in ZrCl 4, but the structural parameters and space group differ. Finally, in the temperature range 100–300 K, no phase transformation was identified, while elongation of intra-chain Zr...Zr [3.950 (1) Å at 100 K and 3.968 (5) Å at 300 K] and inter-chain Cl...Cl [3.630 (3) Å at 100 K and 3.687 (9) Å at 300 K] distances occurred.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2005JAP....98i4103D','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2005JAP....98i4103D"><span>Martensitelike spontaneous relaxor-normal ferroelectric transformation in Pb(Zn1/3Nb2/3)O3-PbLa(ZrTi)O3 system</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Deng, Guochu; Ding, Aili; Li, Guorong; Zheng, Xinsen; Cheng, Wenxiu; Qiu, Pingsun; Yin, Qingrui</p> <p>2005-11-01</p> <p>The spontaneous relaxor-normal ferroelectric transformation was found in the tetragonal composition of Pb(Zn1/3Nb2/3)O3-PbLa(ZrTi)O3 (0.3PZN-0.7PLZT) complex ABO3 system. The corresponding dielectric permittivities and losses of different compositions located near the morphotrophic phase boundary were analyzed. By reviewing all of the results about this type of transformation in previous references, the electric, compositional, structural, and thermodynamic characteristics of the spontaneous relaxor-normal transformation were proposed. Additionally, the adaptive phase model for martensite transformation proposed by Khachaturyan et al. [Phys. Rev. B 43, 10832 (1991)] was introduced into this ferroelectric transformation to explain the unique transformation pathway and associated features such as the tweedlike domain patterns and the dielectric dispersion under the critical transition temperature. Due to the critical compositions near the MPB, the ferroelectric materials just fulfill the condition, in which the adaptive phases can form in the transformation procedure. The formation of the adaptive phases, which are composed of stress-accommodating twinned domains, makes the system bypass the energy barrier encountered in conventional martensite transformations. The twinned adaptive phase corresponds to the tweedlike domain pattern under a transmission electronic microscope. At lower temperature, these precursor phases transform into the conventional ferroelectric state with macrodomains by the movement of domain walls, which causes a weak dispersion in dielectric permittivity.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JAP...122x4102U','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JAP...122x4102U"><span>Modulation of structural, electrical, and magnetic features with dilute Zr substitution in Bi0.8La0.2Fe1-xZrxO3 system</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Usama, Hasan M.; Akter, Ayesha; Zubair, M. A.</p> <p>2017-12-01</p> <p>A significant structural modification and enhancement of the electrical and magnetic properties with dilute substitution of Zr (≤1 mol. %) in the Bi0.8La0.2Fe1-xZrxO3 system has been reported. A mixture of rhombohedral and orthorhombic phases was detected in these conventionally sintered ceramics. Transition from a leaky state to an insulating state was observed upon Zr substitution. This is the first time that a drop in the electrical conductivity as large as 6 orders of magnitude for doping as small as 0.25 mol. % in bismuth ferrite systems has been reported. An investigation on the nature of this abrupt transition revealed the dominant role of defects. A proper consideration of possible defect reactions taking place during and after sintering satisfactorily accounts for the observed modulation in the electrical properties. Both AC and DC measurements indicate that, before Zr substitution, p-type hopping conduction prevails with an activation energy as low as ˜0.57 eV, whereas the Zr substitution makes oxide ion migration the central mechanism for conduction with the activation energy of ˜0.96-1.08 eV. In contrast to that, the magnetic properties of the compounds experience a more subtle effect; a gradual modification of saturation magnetization and coercivity with Zr substitution is observed. Curve fitting of the magnetic hysteresis loops not only allowed extraction of three separate contributions from the magnetic response but also helped to explain the effects of Zr on the magnetic properties. Modifications of structural characteristics and magnetic anisotropy of the samples are believed to be the primary driving force behind the improvement in the magnetic properties.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22689703-aging-behavior-situ-tib-sub-al-cu-li-matrix-composite','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22689703-aging-behavior-situ-tib-sub-al-cu-li-matrix-composite"><span>Aging behavior of an in-situ TiB{sub 2}/Al-Cu-Li-x matrix composite</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Shen, Yanwei; Hong, Tianran; Geng, Jiwei</p> <p></p> <p>Transmission electron microscopy, differential scanning calorimetry and hardness tests have been performed on an in-situ TiB{sub 2}/Al-3.3Cu-1.0Li-0.60Mg-0.40Ag-0.14Zr-0.13Si composite to study its aging behavior at 175 °C. A cubic phase suspected to be the σ (Al{sub 5}Cu{sub 6}Mg{sub 2}) phase or its variant is precipitated at all aging stages studied, and this phase is not typically observed in the Al-Cu-Li alloys. The primary hardening (aging for 3 h) phases consist of δ′ (Al{sub 3}Li), β′ (Al{sub 3}Zr) and the cubic phase. After aging for 18 h, all precipitates including T{sub 1} (Al{sub 2}CuLi), S (Al{sub 2}CuMg), θ′ (Al{sub 2}Cu), δ′, β′more » and the cubic phase have appeared, and the formation of T{sub 1} and S results in a rapid increase in hardness. With prolonging of aging time, the apparent coarsening of T{sub 1} and S results in a decline in hardness. - Highlights: •The aging behavior of an in-situ TiB{sub 2}/Al-Cu-Li-x composite was studied. •A cubic phase suspected to be σ (Al{sub 5}Cu{sub 6}Mg{sub 2}) or its variant was precipitated. •The hardness change was dominated by the evolution of T{sub 1} (Al{sub 2}CuLi) and S (Al{sub 2}CuMg).« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013ApSS..273..527J','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013ApSS..273..527J"><span>Study of Pt-Rh/CeO2-ZrO2-MxOy (M = Y, La)/Al2O3 three-way catalysts</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Jiaxiu, Guo; Zhonghua, Shi; Dongdong, Wu; Huaqiang, Yin; Maochu, Gong; Yaoqiang, Chen</p> <p>2013-05-01</p> <p>CeO2-ZrO2-MxOy (M = Y; La) mixed oxides, prepared by co-precipitation method and characterized by Brunauer-Emmett-Teller (BET), X-ray diffraction (XRD), Raman spectra (RM) and oxygen pulse reaction, were comparatively investigated to elucidate the combinational effects of Y and/or La oxide promoters on the catalytic activity and anti-aging performance of monolithic cordierite honeycomb catalysts with low Pt and Rh content. The catalytic activities, water-gas shift (WGS) and steam reforming reaction (SR) were studied under a simulated gas mixture. The catalysts were also characterized by H2-temperature-programmed reduction (H2-TPR) and O2-temperature-programmed desorption (O2-TPD). The results showed that the prepared CeO2-ZrO2-MxOy oxides have a face-centered cubic fluorite structure and are nanosize. La3+ ions can significantly improve thermal stability and efficiently retard CeO2-ZrO2 crystal sintering and growth. Doped CeO2-ZrO2 with Y3+ and La3+ has 105 and 60 m2/g surface area and 460 and 390 μmol/g OSC before and after aging. The T50 of fresh Pt-Rh/CZYL/LA is 170 °C for CO, 222 °C for C3H8 and 189 °C for NO, and shift to 205, 262 and 228 °C after hydrothermal aging, which are better than those of Pt-Rh/CZY/LA or Pt-Rh/CZL/LA. WGS and SR are relate to the OSC of oxygen storage materials and absorbed oxygen species on the catalyst surface and affect the three-way catalytic activities of catalysts. The reductive property of noble metals and the dissociatively adsorbed O2 on the surface of catalysts are closely related to the catalytic activities.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA490109','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA490109"><span>Precipitation of Al3(Sc,Zr) Particles in a Direct Chill Cast Al-Zn-Mg-Cu-Sc-Zr Alloy During Conventional Solution Heat Treatment and its Effect on Tensile Properties</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>2007-12-01</p> <p>recrystallization during hot working and introduce additional strengthening through the formation of fine coherent Al3(Sc,Zr) particles from a super...microstructure was described in detail elsewhere [8]. TEM analysis of the as-cast alloy revealed large eutectic -forming particles, which were enriched...however suggest that this additional strengthening (~10-30 MPa) can be due to incomplete dissolution of the eutectic phases, which were present in the</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/15348759','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/15348759"><span>Plasma spraying of zirconia-reinforced hydroxyapatite composite coatings on titanium: part I: phase, microstructure and bonding strength.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Chang, E; Chang, W J; Wang, B C; Yang, C Y</p> <p>1997-04-01</p> <p>Plasma-sprayed hydroxyapatite (HA) coatings applied to metal substrates can induce a direct chemical bond with bone and hence achieve biological fixation of the implant. However, the poor bonding strength between HA and substrate has been of concern to orthopaedists. In this study, two submicrometre ZrO2 powders stabilized with both 3 and 8 mol% Y2O3 (TZ3Y and TZ8Y, respectively) were incorporated in a plasma-sprayed HA coating on Ti-6Al-4V substrate to investigate the change in phase, microstructure and bonding strength. The results show that ZrO2 composite coatings contain more unmelted particles and greater porosity. During plasma spraying, ZrO2 reacts with the CaO in HA to form CaZrO3 and accelerates HA decomposition to alpha-TCP and Ca4P2O9. Nevertheless, bonding strength increases with increase of ZrO2 content in the range 0 to 10 wt% studied. The higher Y2O3-containing TZ8Y apparently exerts a greater strengthening effect than the lower Y2O3-containing TZ3Y.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015CryRp..60..721V','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015CryRp..60..721V"><span>Thermal expansion of phosphates with the NaZr2(PO4)3 structure containing lanthanides and zirconium: R 0.33Zr2(PO4)3 ( R = Nd, Eu, Er) and Er0.33(1- x) Zr0.25 x Zr2(PO4)3</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Volgutov, V. Yu.; Orlova, A. I.</p> <p>2015-09-01</p> <p>Phosphates R 0.33Zr2(PO4)3 ( R = Nd, Eu, or Er) and Er0.33(1- х)Zr0.25Zr2(PO4)3 ( х = 0, 0.25, 0.5, 0.75, 1.0) of the NaZr2(PO4)3 family have been synthesized and investigated by high-temperature X-ray diffraction. The crystallochemical approach is used to obtain compounds with expected small and controllable thermal-expansion parameters. Phosphates with close-to-zero thermal-expansion parameters, including those with low thermal-expansion anisotropy, have been obtained: Nd0.33Zr2(PO4)3 with α a =-2.21 × 10-6 °С-1, α c = 0.81 × 10-6 °С-1, and Δα = 3.02 × 10-6 °С-1 and Er0.08Zr0.19Zr2(PO4)3 with α a =-1.86 × 10-6 °С-1, α c = 1.73 × 10-6 °С-1, and Δα = 3.58 × 10-6 °С-1.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PlST...19k5504X','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PlST...19k5504X"><span>Conversion of NO with a catalytic packed-bed dielectric barrier discharge reactor</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Xu, CAO; Weixuan, ZHAO; Renxi, ZHANG; Huiqi, HOU; Shanping, CHEN; Ruina, ZHANG</p> <p>2017-11-01</p> <p>This paper discusses the conversion of nitric oxide (NO) with a low-temperature plasma induced by a catalytic packed-bed dielectric barrier discharge (DBD) reactor. Alumina oxide (Al2O3), glass (SiO2) and zirconium oxide (ZrO2), three different spherical packed materials of the same size, were each present in the DBD reactor. The NO conversion under varying input voltage and specific energy density, and the effects of catalysts (titanium dioxide (TiO2) and manganese oxide (MnO x ) coated on Al2O3) on NO conversion were investigated. The experimental results showed that NO conversion was greatly enhanced in the presence of packed materials in the reactor, and the catalytic packed bed of MnO x /Al2O3 showed better performance than that of TiO2/Al2O3. The surface and crystal structures of the materials and catalysts were characterized through scanning electron microscopy analysis. The final products were clearly observed by a Fourier transform infrared spectrometer and provided a better understanding of NO conversion.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_18");'>18</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li class="active"><span>20</span></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_20 --> <div id="page_21" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li class="active"><span>21</span></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="401"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JaJAP..56jPF12O','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JaJAP..56jPF12O"><span>In-plane orientation and composition dependences of crystal structure and electrical properties of {100}-oriented Pb(Zr,Ti)O3 films grown on (100) Si substrates by metal organic chemical vapor deposition</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Okamoto, Shoji; Sankara Rama Krishnan, P. S.; Okamoto, Satoshi; Yokoyama, Shintaro; Akiyama, Kensuke; Funakubo, Hiroshi</p> <p>2017-10-01</p> <p>In-plane orientation-controlled Pb(Zr x ,Ti1- x )O3 (PZT) films with a thickness of approximately 2 µm and a Zr/(Zr + Ti) ratio of 0.39-0.65 were grown on (100) Si substrates by pulsed metal-organic chemical vapor deposition (MOCVD). In-plane-oriented epitaxial PZT films and in-plane random fiber-textured PZT films with {100} out-of-plane orientation were grown on (100)c SrRuO3//(100)c LaNiO3//(100) CeO2//(100) YSZ//(100) Si and (100)c SrRuO3/(100)c LaNiO3/(111) Pt/TiO2/SiO2/(100) Si substrates, respectively. The effects of Zr/(Zr + Ti) ratio and in-plane orientation on the crystal structure, dielectric, ferroelectric, and piezoelectric properties of the films were systematically investigated. The X-ray diffraction measurement showed that the epitaxial PZT films had a higher volume fraction of (100) orientation than the fiber-textured PZT films in the tetragonal Zr/(Zr + Ti) ratio region. A large difference was not detected between the epitaxial films and the fiber-textured films for Zr/(Zr + Ti) ratio dependence of the dielectric constant, and remanent polarization. However, in the rhombohedral phase region [Zr/(Zr + Ti) = 0.65], coercive field was found to be 1.5-fold different between the epitaxial and fiber-textured PZT films. The maximum field-induced strains measured at 0-100 kV/cm by scanning atomic force microscopy were obtained at approximately Zr/(Zr + Ti) = 0.50 and were about 0.5 and 0.3% for the epitaxial and fiber-textured PZT films, respectively.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015MPLB...2950183G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015MPLB...2950183G"><span>Effect of nano-sized cerium-zirconium oxide solid solution on far-infrared emission properties of tourmaline powders</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Guo, Bin; Yang, Liqing; Hu, Weijie; Li, Wenlong; Wang, Haojing</p> <p>2015-10-01</p> <p>Far-infrared functional nanocomposites were prepared by the co-precipitation method using natural tourmaline (XY3Z6Si6O18(BO3)3V3W, where X is Na+, Ca2+, K+, or vacancy; Y is Mg2+, Fe2+, Mn2+, Al3+, Fe3+, Mn3+, Cr3+, Li+, or Ti4+; Z is Al3+, Mg2+, Cr3+, or V3+; V is O2-, OH-; and W is O2-, OH-, or F-) powders, ammonium cerium(IV) nitrate and zirconium(IV) nitrate pentahydrate as raw materials. The reference sample, tourmaline modified with ammonium cerium(IV) nitrate alone was also prepared by a similar precipitation route. The results of Fourier transform infrared spectroscopy show that tourmaline modified with Ce and Zr has a better far-infrared emission property than tourmaline modified with Ce alone. Through characterization by transmission electron microscopy (TEM), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS), the mechanism for oxygen evolution during the heat process in the two composite materials was systematically studied. The XPS spectra show that Fe3+ ratio inside tourmaline modified with Ce alone can be raised by doping Zr. Moreover, it is showed that there is a higher Ce3+ ratio inside the tourmaline modified with Ce and Zr than tourmaline modified with Ce alone. In addition, XRD results indicate the formation of CeO2 and Ce1-xZrxO2 crystallites during the heat treatment and further TEM observations show they exist as nanoparticles on the surface of tourmaline powders. Based on these results, we attribute the improved far-infrared emission properties of Ce-Zr doped tourmaline to the enhanced unit cell shrinkage of the tourmaline arisen from much more oxidation of Fe2+ to Fe3+ inside the tourmaline caused by the change in the catalyst redox properties of CeO2 brought about by doping with Zr4+. In all samples, tourmaline modified with 7.14 wt.% Ce and 1.86 wt.% Zr calcined at 800∘C for 5 h has the best far-infrared emission property with the maximum emissivity value of 98%.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018ApSS..441..482L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018ApSS..441..482L"><span>Effect of zirconia morphology on sulfur-resistant methanation performance of MoO3/ZrO2 catalyst</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Liu, Chen; Wang, Weihan; Xu, Yan; Li, Zhenhua; Wang, Baowei; Ma, Xinbin</p> <p>2018-05-01</p> <p>Two kinds of ZrO2 support with different morphologies were prepared by facile solvothermal method in different solvents. The obtained two supports showed monoclinic zirconia (m-ZrO2) and tetragonal zirconia (t-ZrO2) phase with similar crystalline size. Their supported Mo-based catalysts were prepared by impregnation method and the effect of zirconia morphology on the performance of sulfur-resistant methanation was examined. The results indicated that the MoO3/m-ZrO2 has higher CO conversion than the MoO3/t-ZrO2 catalyst. Characterizations by XRD, Raman, H2-TPR and IR confirmed that the m-ZrO2 is superior to t-ZrO2 for dispersing molybdenum species. In addition, the MoO3/m-ZrO2 catalyst has weaker interaction between support and active Mo speices than the MoO3/t-ZrO2 catalyst, which facilitates to forming active species of nanocrystalline MoS2 layers for sulfur-resistant methanation. The weaker interaction of molybdenum species with m-ZrO2 is related with the more covalent character of the Zrsbnd O bond and more oxygen defective structure of m-ZrO2. A larger number of Lewis acid centers appear on the surface of m-ZrO2, which verified the substantial vacancies on m-ZrO2 exposing coordinately unsaturated Zr3+ and Zr4+ cations. Meanwhile, the less Lewis acid of t-ZrO2 result in stronger interaction between support and molybdenum species and trigger crystalline phase MoO3 and Mosbnd Osbnd Zr linkages.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24285639','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24285639"><span>NMR spectroscopy and X-ray characterisation of cationic N-heteroaryl-pyridylamido Zr(IV) complexes: a further level of complexity for the elusive active species of pyridylamido olefin polymerisation catalysts.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Li, Gang; Zuccaccia, Cristiano; Tedesco, Consiglia; D'Auria, Ilaria; Macchioni, Alceo; Pellecchia, Claudio</p> <p>2014-01-03</p> <p>New [(N(-),N,N(-))ZrR2] dialkyl complexes (N(-),N,N(-)=pyrrolyl-pyridyl-amido or indolyl-pyridyl-amido; R=Me or CH2Ph) have been synthesised and tested as pre-catalysts for ethene and propene polymerisation in combination with different activators, such as B(C6F5)3, [Ph3C][B(C6F5)4], [HNMe2Ph][B(C6F5)4] or solid AlMe3-depleted methylaluminoxane (DMAO). Polyethylene (M(w)>2 MDa and M(w)/M(n)= 1.3-1.6) has been produced if pre-catalysts were activated with 1000 equivalents of DMAO (based on Al) [activity >1000 kg(PE)(mol([Zr]) h mol atm)(-1)] or by using a higher pre-catalyst concentration and a mixture of [HNPhMe2][B(C6F5)4] (1 equiv) and AliBu2H (60 equiv). In the case of propene polymerisation, activity has been observed only if pre-catalysts were treated with an excess of AliBu2H prior to addition of DMAO, which led to highly isotactic polypropylene ([mmmm]>95%). Neutral pre-catalysts and ion pairs derived from their activation have been characterised in solution by using advanced 1D and 2D NMR spectroscopy experiments. The detection and rationalisation of intercationic NOEs clearly showed the formation of dimeric species in which some pyrrolyl or indolyl π-electron density of one unit is engaged in stabilising the metal centre of the other unit, which relegates the counterions in the second coordination sphere. The solid-state structure of the dimeric indolyl-pyridyl-amidomethylzirconium derivative, determined by X-ray diffraction studies, points toward a weak Zr···η(3)-indolyl interaction. It can be hypothesised that the formation of dimeric cationic species hampers monomer coordination (especially of less reactive α-olefins) and that addition of AliBu2H is crucial to split the homodimers. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19820024585','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19820024585"><span>Failure mechanisms of thermal barrier coatings exposed to elevated temperatures</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Miller, R. A.; Lowell, C. E.</p> <p>1982-01-01</p> <p>The failure of a ZrO2-8%Y2O3/Ni-14% Al-0.1% Zr coating system on Rene 41 in Mach 0.3 burner rig tests was characterized. High flame and metal temperatures were employed in order to accelerate coating failure. Failure by delamination was shown to precede surface cracking or spalling. This type of failure could be duplicated by cooling down the specimen after a single long duration isothermal high temperature cycle in a burner rig or a furnace, but only if the atmosphere was oxidizing. Stresses due to thermal expansion mismatch on cooling coupled with the effects of plastic deformation of the bond coat and oxidation of the irregular bond coat are the probable life limiting factors. Heat up stresses alone could not fail the coating in the burner rig tests. Spalling eventually occurs on heat up but only after the coating has already failed through delamination.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1033076-materials-shrink-heating-pressure-induced-phase-transitions-negative-thermal-expansion-materials-energetics','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1033076-materials-shrink-heating-pressure-induced-phase-transitions-negative-thermal-expansion-materials-energetics"><span></span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Varga, Tamas</p> <p></p> <p>Despite the fact that all chemical bonds expand on heating, a small class of materials shrinks when heated. These, so called negative thermal expansion (NTE) materials, are a unique class of materials with some exotic properties. The present chapter offers insight into the structural aspects of pressure- (or temperature-) induced phase transformations, and the energetics of those changes in these fascinating materials, in particular NTE compound cubic ZrW2O8, orthorhombic Sc2W3O12 and Sc2Mo3O12, as well as other members of the 'scandium tungstate family'. In subsequent sections, (i) combined in situ high-pressure synchrotron XRD and XAS studies of NTE material ZrW2O8; (ii)more » an in situ high-pressure synchrotron XRD study of Sc2W3O12, Sc2Mo3O12, and Al2W3O12; and (iii) thermochemical studies of the above materials are presented and discussed. In all of these studies, chemical bonds change, sometimes break and new ones form. Correlations between structure, chemistry, and energetics are revealed. It is also shown that (iv) NTE materials are good candidates as precursors to make novel solid state materials, such as the conducting Sc0.67WO4, using high-pressure, high-temperature synthesis, through modification of bonding and electronic structure, and thus provide vast opportunities for scientific exploration.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2009JAP...105e3504P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2009JAP...105e3504P"><span>Fe-Al interface intermixing and the role of Ti, V, and Zr as a stabilizing interlayer at the interface</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Priyantha, W.; Smith, R. J.; Chen, H.; Kopczyk, M.; Lerch, M.; Key, C.; Nachimuthu, P.; Jiang, W.</p> <p>2009-03-01</p> <p>Fe-Al bilayer interfaces with and without interface stabilizing layers (Ti, V, Zr) were fabricated using dc magnetron sputtering. Intermixing layer thickness and the effectiveness of the stabilizing layer (Ti, V, Zr) at the interface were studied using Rutherford backscattering spectrometry (RBS) and x-ray reflectometry (XRR). The result for the intermixing thickness of the AlFe layer is always higher when Fe is deposited on Al as compared to when Al is deposited on Fe. By comparing measurements with computer simulations, the thicknesses of the AlFe layers were determined to be 20.6 Å and 41.1 Å for Al/Fe and Fe/Al bilayer systems, respectively. The introduction of Ti and V stabilizing layers at the Fe-Al interface reduced the amount of intermixing between Al and Fe, consistent with the predictions of model calculations. The Zr interlayer, however, was ineffective in stabilizing the Fe-Al interface in spite of the chemical similarities between Ti and Zr. In addition, analysis suggests that the Ti interlayer is not effective in stabilizing the Fe-Al interface when the Ti interlayer is extremely thin (˜3 Å) for these sputtered metallic films.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1324166-two-dimensional-nb-based-solid-solutions-mxenes','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1324166-two-dimensional-nb-based-solid-solutions-mxenes"><span>Two-Dimensional Nb-Based M 4 C 3 Solid Solutions (MXenes)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Yang, Jian; Naguib, Michael; Ghidiu, Michael; ...</p> <p>2015-10-15</p> <p>Two new two-dimensional Nb 4C 3-based solid solutions (MXenes), (Nb 0.8,Ti 0.2) 4C 3T x and (Nb 0.8,Zr 0.2) 4C 3T x (where T is a surface termination) were synthesizedas confirmed by X-ray diffractionfrom their corresponding MAX phase precursors (Nb 0.8,Ti 0.2) 4AlC 3 and (Nb 0.8,Zr 0.2) 4AlC 3. In our report we discuss Zr-containing MXene. We also studied intercalation of Li ions into these two compositions, and Nb 4C 3T x in order to determine the potential of those materials for energy storage applications. Lithiation and delithiation peaks at 2.26 and 2.35 V, respectively, appeared in the casemore » of Nb 4C 3T x, but were not present in Nb 2CT x. After 20 cycles at a rate of C/4, the specific capacities of (Nb 0.8,Ti 0.2) 4C 3T xand (Nb 0.8,Ti 0.2) 4C 3T x were 158 and 132 mAh/g, respectively, both slightly lower than the capacity of Nb 4C 3T x.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29873344','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29873344"><span>Enhanced electronic and optical properties of three TMD heterobilayers.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Rehman, Shafiq Ur; Ding, Z J</p> <p>2018-06-20</p> <p>The physical and chemical properties of monolayers can be tuned by selective combinations so as to be useful for device applications. Here we present a density functional theory study on the structural, electronic and optical properties of three transition metal dichalcogenide (TMD) heterobilayers, ZrS2/HfS2, ZrSe2/HfSe2 and SnS2/SnSe2. These heterobilayers are predicted to be energetically and dynamically stable structures. The band structure calculation result shows that ZrS2/HfS2, ZrSe2/HfSe2 and SnS2/SnSe2 heterobilayers are semiconductors with indirect band gaps. The efficient charge carrier separation in ZrS2/HfS2 and ZrSe2/HfSe2 heterobilayers indicates that they can be employed in energy harvesting devices. Contrary to the previous report on the ZrS2/HfS2 heterobilayer, we found it to have an intrinsic type-II band alignment which is required in p-n junction diodes and tunnel field effect transistors, and the same behavior was observed in ZrSe2/HfSe2 and SnS2/SnSe2 for the first time. The ZrS2/HfS2 and ZrSe2/HfSe2 heterobilayers reveal enhanced optical absorption both in the ultraviolet and visible regions as compared to their respective monolayers, whereas the parallel and perpendicular part of the optical absorption of the SnS2/SnSe2 heterobilayer revealed an anisotropic behavior; the perpendicular part is largely improved in the higher energy region, and the parallel part of the optical absorption is improved in the ultraviolet region.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29926510','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29926510"><span>Aqueous Isolation of 17-Nuclear Zr-/Hf- Oxide Clusters during the Hydrothermal Synthesis of ZrO2/HfO2.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Sung, Qing; Liu, Caiyun; Zhang, Guanyun; Zhang, Jian; Tung, Chen-Ho; Wang, Yifeng</p> <p>2018-06-21</p> <p>Novel 17-nuclear Zr-/Hf- oxide clusters ({Zr17} and {Hf17}) are isolated from aqueous systems. In the clusters, Zr/Hf ions are connected via μ3-O, μ3-OH and μ2-OH linkages into a pinwheel core which is wrapped with SO42-, HCOO- and aqua ligands. Octahedral hexanuclear Zr-/Hf- oxide clusters ({Zr6}oct and {Hf6}oct) are also isolated from the same hydrothermal system by decreasing the synthesis temperature. Structural analysis, synthetic conditions, vibrational spectra and ionic conductivity of the clusters are studied. Structural studies and synthesis inspection suggest that formation of {Zr6}oct and {Zr17} involves assembly of the same transferable building blocks, but the condensation degree and thermodynamic stability of the products increase with hydrothermal temperature. The role of {Zr6}oct and {Zr17} in the formation of ZrO2 nanocrystals are then discussed in the scenario of nonclassical nucleation theory. Besides, the Zr-oxide clusters exhibit ionic conductivity due to the mobility of protons. This study not only adds new members to the Zr-/Hf- oxide cluster family, but also establishes a connection from Zr4+ ions to ZrO2 in the hydrothermal preparation of zirconium oxide nanomaterials. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22271124-understanding-ferromagnetism-optical-absorption-transition-metal-doped-cubic-zro-sub-modified-becke-johnson-exchange-correlation-functional','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22271124-understanding-ferromagnetism-optical-absorption-transition-metal-doped-cubic-zro-sub-modified-becke-johnson-exchange-correlation-functional"><span>Understanding ferromagnetism and optical absorption in 3d transition metal-doped cubic ZrO{sub 2} with the modified Becke-Johnson exchange-correlation functional</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Boujnah, M.; Zaari, H.; El Kenz, A., E-mail: elkenz@fsr.ac.ma</p> <p></p> <p>The electronic structure, magnetic, and optical properties in cubic crystalline phase of Zr{sub 1−x}TM{sub x}O{sub 2} (TM = V, Mn, Fe, and Co) at x = 6.25% are studied using density functional theory with the Generalized Gradient Approximation and the modified Becke-Johnson of the exchange-correlation energy and potential. In our calculations, the zirconia is a p-type semiconductor and has a large band gap. We evaluated the possibility of long-range magnetic order for transition metal ions substituting Zr. Our results show that ferromagnetism is the ground state in V, Mn, and Fe-doped ZrO{sub 2} and have a high value of energy in Mn-doped ZrO{sub 2}.more » However, in Co-doped ZrO{sub 2}, antiferromagnetic ordering is more stable than the ferromagnetic one. The exchange interaction mechanism has been discussed to explain the responsible of this stability. Moreover, it has been found that the V, Mn, and Fe transition metals provide half-metallic properties considered to be the leading cause, responsible for ferromagnetism. Furthermore, the optical absorption spectra in the TM -doped cubic ZrO{sub 2} are investigated.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2002PhyC..383...55K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2002PhyC..383...55K"><span>Reactivity and oxygen diffusion property of resistive barriers for Bi-2223/Ag tapes</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kováč, P.; Hušek, I.</p> <p>2002-12-01</p> <p>Reactivity of several oxide materials (OM) with BSCCO powder and oxygen diffusion through OM layer has been tested at temperature ≈840 °C in air. The OM (e.g.: BaZrO 3, SrCO 3, MgO and ZrO 2) showing the low or no reactivity with BSCCO have been mixed (10 wt.%) with precursor powder and used for single-core tapes. Bi-2223/Ag/OM/Ag single-core tapes with oxide barriers made of BaZrO 3, SrCO 3, ZrO 2 and Al 2O 3 have been also prepared by a standard powder-in-tube technique. The used OM in the direct contact with BSCCO influences the electrical properties of Bi-2223 phase differently. These is because the oxides react with BSCCO during the heat treatment and simultaneously affect the 2212→2223 phase transformation, the Bi-2223 grain growth and so also grain connectivity. SrCO 3 powder has been evaluated as the best material from the point of no destructive effect on 2223 phase transport current property. The oxide barrier controls the oxygen diffusion during the tape heat treatment and simultaneously the HTS phase formation kinetics, its purity and content within the superconducting core. For single-core Bi-2223/Ag/OM/Ag tapes, the highest current density was measured for Al 2O 3 due to only slightly reduced oxygen diffusion through the barrier.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018CoTPh..69..336W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018CoTPh..69..336W"><span>A First-Principles Study on the Vibrational and Electronic Properties of Zr-C MXenes</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wang, Chang-Ying; Guo, Yong-Liang; Zhao, Yuan-Yuan; Zeng, Guang-Li; Zhang, Wei; Ren, Cui-Lan; Han, Han; Huai, Ping</p> <p>2018-03-01</p> <p>Within the framework of density functional theory calculations, the structural, vibrational, and electronic properties of Zr n C n - 1 (n = 2, 3, and 4) and their functionalized MXenes have been investigated. We find that the most stable configurations for Zr-C MXene are the ones that the terminal groups F, O, and OH locate on the common hollow site of the superficial Zr layer and its adjacent C layer. F and OH-terminated Zr 3 C 2 and Zr 4 C 3 have small imaginary acoustic phonon branches around Γ point while the others have no negative phonon modes. The pristine MXenes (Zr 2 C, Zr 3 C 2 and Zr 4 C 3 ) are all metallic with large DOS contributed by the Zr atom at the Fermi energy. When functionalized by F, O and OH, new hybridization states appear and the DOS at the Fermi level are reduced. Moreover, we find that their metallic characteristic increases with an increase in n. For (Zr n C n - 1 )O 2, Zr 2 CO 2 is a semiconductor, Zr 3C2O2 is a semimetal, and Zr 4 C 3O2 becomes a metal. Supported by the National Natural Science Foundation of China under Grant Nos. 11605273, 21571185, U1404111, 11504089, 21501189, 21676291, the Shanghai Municipal Science and Technology Commission 16ZR1443100, the Strategic Priority Research Program of the Chinese Academy of Sciences (XDA02040104)</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19890014420','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19890014420"><span>Sequentially evaporated thin Y-Ba-Co-O superconducting films on microwave substrates</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Valco, G. J.; Rohrer, N. J.; Warner, J. D.; Bhasin, K. B.</p> <p>1989-01-01</p> <p>The development of high T sub c superconducting thin films on various microwave substrates is of major interest in space electronic systems. Thin films of YBa2Cu3O(7-Delta) were formed on SrTiO3, MgO, ZrO2 coated Al2O3, and LaAlO3 substrates by multi-layer sequential evaporation and subsequent annealing in oxygen. The technique allows controlled deposition of Cu, BaF2 and Y layers, as well as the ZrO buffer layers, to achieve reproducibility for microwave circuit fabrication. The three layer structure of Cu/BaF2/Y is repeated a minimum of four times. The films were annealed in an ambient of oxygen bubbled through water at temperatures between 850 C and 900 C followed by slow cooling (-2 C/minute) to 450 C, a low temperature anneal, and slow cooling to room temperature. Annealing times ranged from 15 minutes to 5 hrs. at high temperature and 0 to 6 hr. at 450 C. Silver contacts for four probe electrical measurements were formed by evaporation followed with an anneal at 500 C. The films were characterized by resistance-temperature measurements, energy dispersive X-ray spectroscopy, X-ray diffraction, and scanning electron microscopy. Critical transition temperatures ranged from 30 K to 87 K as a function of the substrate, composition of the film, thicknesses of the layers, and annealing conditions. Microwave ring resonator circuits were also patterned on these MgO and LaAlO3 substrates.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://www.dtic.mil/docs/citations/ADA578220','DTIC-ST'); return false;" href="http://www.dtic.mil/docs/citations/ADA578220"><span>The Effect of 24c-Site (A) Cation Substitution on the Tetragonal-Cubic Phase Transition in Li7-xLa3-xAxZr2O12 Garnet-Based Ceramic Electrolyte</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.dtic.mil/">DTIC Science & Technology</a></p> <p></p> <p>2013-01-01</p> <p>with Al [16,20]. In KrogereVink notation, the relationships for Ta and Nb substitution for Zr are as follows [20,22,23]: Ta$ Zr ¼ V0Li (3) Nb ...garnet phase. < CeO2 precipitation at grain boundaries increases grain boundary resistance . < Super-valent cation substitution likely stabilizes the...Introduction Li-ion batteries have played a vital role in the development of current generation mobile devices, microelectronics and electric vehicles [1]. Due</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26948082','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26948082"><span>Assessment of reliability of CAD-CAM tooth-colored implant custom abutments.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Guilherme, Nuno Marques; Chung, Kwok-Hung; Flinn, Brian D; Zheng, Cheng; Raigrodski, Ariel J</p> <p>2016-08-01</p> <p>Information is lacking about the fatigue resistance of computer-aided design and computer-aided manufacturing (CAD-CAM) tooth-colored implant custom abutment materials. The purpose of this in vitro study was to investigate the reliability of different types of CAD-CAM tooth-colored implant custom abutments. Zirconia (Lava Plus), lithium disilicate (IPS e.max CAD), and resin-based composite (Lava Ultimate) abutments were fabricated using CAD-CAM technology and bonded to machined titanium-6 aluminum-4 vanadium (Ti-6Al-4V) alloy inserts for conical connection implants (NobelReplace Conical Connection RP 4.3×10 mm; Nobel Biocare). Three groups (n=19) were assessed: group ZR, CAD-CAM zirconia/Ti-6Al-4V bonded abutments; group RC, CAD-CAM resin-based composite/Ti-6Al-4V bonded abutments; and group LD, CAD-CAM lithium disilicate/Ti-6Al-4V bonded abutments. Fifty-seven implant abutments were secured to implants and embedded in autopolymerizing acrylic resin according to ISO standard 14801. Static failure load (n=5) and fatigue failure load (n=14) were tested. Weibull cumulative damage analysis was used to calculate step-stress reliability at 150-N and 200-N loads with 2-sided 90% confidence limits. Representative fractured specimens were examined using stereomicroscopy and scanning electron microscopy to observe fracture patterns. Weibull plots revealed β values of 2.59 for group ZR, 0.30 for group RC, and 0.58 for group LD, indicating a wear-out or cumulative fatigue pattern for group ZR and load as the failure accelerating factor for groups RC and LD. Fractographic observation disclosed that failures initiated in the interproximal area where the lingual tensile stresses meet the compressive facial stresses for the early failure specimens. Plastic deformation of titanium inserts with fracture was observed for zirconia abutments in fatigue resistance testing. Significantly higher reliability was found in group ZR, and no significant differences in reliability were determined between groups RC and LD. Differences were found in the failure characteristics of group ZR between static and fatigue loading. Copyright © 2016 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018AIPC.1940b0002M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018AIPC.1940b0002M"><span>Influence of Zr doping on structure and morphology of TiO2 nanorods prepared using hydrothermal method</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Muslimin, Masliana; Jumali, Mohammad Hafizuddin; Tee, Tan Sin; Beng, Lee Hock; Hui, Tan Chun; Chin, Yap Chi</p> <p>2018-04-01</p> <p>The aim of this work is to investigate the effect of Zr doping on TiO2 nanostructure. TiO2 nanorods thin films with different Zr-doping concentrations (6 × 10-3 M, 13 × 10-3 M and 25 × 10-3 M) were successfully prepared using a simple hydrothermal method. The structural and morphological properties of the samples were evaluated using XRD and FESEM respectively. The XRD results revealed that the TiO2 in all samples stabilized as rutile phase. The FESEM micrographs confirmed that TiO2 exist as square like nanorods with blunt tips. Although the crystallographic nature remains unchanged, the introduction of Zr has altered the surface density, structure and morphology of TiO2 which subsequently will have significant effect on its properties.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018AIPA....8e5704B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018AIPA....8e5704B"><span>The effect of TM doping on the superconducting properties of ZrNi2-xTMxGa (TM = Cu, Co) Heusler compounds</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Basaula, Dharma Raj; Brock, Jeffrey; Khan, Mahmud</p> <p>2018-05-01</p> <p>We have explored the structural and superconducting properties of ZrNi2-xTMxGa (TM = Cu, Co) Heusler compounds via x-ray diffraction, scanning electron mi croscopy, electrical resistivity, dc magnetization and ac susceptibility measurements. All samples crystallized in the cubic L21 structure at room temperature. For x ≤ 0.25, all the ZrNi2-xCuxGa compounds showed superconducting properties and a decrease in TC with increasing Cu concentration. The dc magnetization data suggested type-II superconductivity for all the Cu-doped compounds. Contrary to the ZrNi2-xCuxGa compounds, no superconductivity was observed in the ZrNi2-xCoxGa compounds. Substitution of Ni by a small concentration of Co destroyed superconductivity in the Co-doped compounds. The experimental results are discussed and possible explanations are provided.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19860006863','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19860006863"><span>Study on effects of powder and flake chemistry and morphology on the properties of Al-Cu-Mg-X-X-X powder metallurgy advanced aluminum alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Meschter, P. J.; Lederich, R. J.; Oneal, J. E.; Pao, P. S.</p> <p>1985-01-01</p> <p>The effects of alloy chemistry and particulate morphology on consolidation behavior and consolidated product properties in rapid solidification processed, powder-metallurgical Al-3Li-1.5Cu-1Mg-0.5Co-0.2Zr and Al-4.4Cu-1.5Mg-Fe-Ni-0.2Zr extrusions and forgings were studied. Microstructures and mechanical properties of both alloys are largely unaffected by particulate production method (vacuum atomization, ultrasonic atomization, or twin-roller quenching) and by particulate solidification rates between 1000 and 100,000 K/s. Consolidation processing by canning, cold compaction, degassing, and hot extrusion is sufficient to yield mechanical properties in the non-Li-containing alloy extrusions which are similar to those of 7075-Al, but ductilities and fracture toughnesses are inferior owing to poor interparticle bonding caused by lack of a vacuum-hot-pressing step during consolidation. Mechanical properties of extrusions are superior to those of forgings owing to the stronger textures produced by the more severe hot working during extrusion. The effects on mechanical properties of dispersoid size and volume fraction, substructural refinement, solid solution strengthening by Mg, and precipitate size and distribution are elucidated for both alloy types.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018ApPhL.112k3901Q','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018ApPhL.112k3901Q"><span>Growth of self-textured Ga3+-substituted Li7La3Zr2O12 ceramics by solid state reaction and their significant enhancement in ionic conductivity</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Qin, Shiying; Zhu, Xiaohong; Jiang, Yue; Ling, Ming'en; Hu, Zhiwei; Zhu, Jiliang</p> <p>2018-03-01</p> <p>A highly self-textured Ga2O3-substituted Li7La3Zr2O12 (LLZO-Ga) solid electrolyte with a nominal composition of Li6.55Ga0.15La3Zr2O12 is obtained by a simple and low-cost solid-state reaction technique, requiring no seed crystals to achieve grain orientation. The as-prepared self-textured LLZO-Ga shows a strong (420) preferred orientation with a high Lotgering factor of 0.91. Coherently, a terrace-shaped microstructure consisting of many parallel layers, indicating a two-dimensional-like growth mode, is clearly observed in the self-textured sample. As a result, the highly self-textured garnet-type lithium-ion conducting solid electrolyte of LLZO-Ga exhibits an extremely high ionic conductivity, reaching a state-of-the-art level of 2.06 × 10-3 S cm-1 at room temperature (25 °C) and thus shedding light on an important strategy for improving the structure and ionic conductivity of solid electrolytes.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_19");'>19</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li class="active"><span>21</span></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_21 --> <div id="page_22" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li class="active"><span>22</span></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="421"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/19223246','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/19223246"><span>New nano-sized Al2O3-BN coating 3Y-TZP ceramic composites for CAD/CAM-produced all-ceramic dental restorations. Part I. Fabrication of powders.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Yang, Se Fei; Yang, Li Qiang; Jin, Zhi Hao; Guo, Tian Wen; Wang, Lei; Liu, Hong Chen</p> <p>2009-06-01</p> <p>Partially sintered 3 mol % yttria-stabilized tetragonal zirconium dioxide (ZrO(2), zirconia) polycrystal (3Y-TZP) ceramics are used in dental posterior restorations with computer-aided design-computer-aided manufacturing (CAD/CAM) techniques. High strength is acquired after sintering, but shape distortion of preshaped compacts during their sintering is inevitable. The aim of this study is to fabricate new machinable ceramic composites with strong mechanical properties that are fit for all-ceramic dental restorations. Aluminum oxide (Al(2)O(3))-coated 3Y-TZP powders were first prepared by the heterogeneous precipitation method starting with 3Y-TZP, Al(NO(3))(3) . 9H(2)O, and ammonia, then amorphous boron nitride (BN) was produced and the as-received composite powders were coated via in situ reaction with boric acid and urea. Transmission electron microscopy (TEM) and X-ray diffraction (XRD) were used to analyze the status of Al(2)O(3)-BN on the surface of the 3Y-TZP particles. TEM micrographs show an abundance of Al(2)O(3) particles and amorphous BN appearing uniformly on the surface of the 3Y-TZP particles after the coating process. The size of the Al(2)O(3) particles is about 20 nm. The XRD pattern shows clearly the peak of amorphous BN among the peaks of ZrO(2).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013JAP...114i4301R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013JAP...114i4301R"><span>Conversion of CH4/CO2 to syngas over Ni-Co/Al2O3-ZrO2 nanocatalyst synthesized via plasma assisted co-impregnation method: Surface properties and catalytic performance</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Rahemi, Nader; Haghighi, Mohammad; Akbar Babaluo, Ali; Fallah Jafari, Mahdi; Khorram, Sirous</p> <p>2013-09-01</p> <p>Ni/Al2O3 catalyst promoted by Co and ZrO2 was prepared by co-impregnation method and treated with glow discharge plasma. The catalytic activity of the synthesized nanocatalysts has been tested toward conversion of CH4/CO2 to syngas. The physicochemical characterizations like XRD, EDX, FESEM, TEM, BET, FTIR, and XPS show that plasma treatment results in smaller particle size, more surface concentration, and uniform morphology. The dispersion of nickel in plasma-treated nanocatalyst was also significantly improved, which was helpful for controlling the ensemble size of active phase atoms on the support surface. Improved physicochemical properties caused 20%-30% enhancement in activity of plasma-treated nanocatalyst that means to achieve the same H2 or CO yield, the plasma-treated nanocatalyst needed about 100 °C lower reaction temperature. The H2/CO ratio got closer to 1 at higher temperatures and finally at 850 °C H2/CO = 1 is attained for plasma-treated nanocatalyst. Plasma-treated nanocatalyst due to smaller Ni particles and strong interaction between active phase and support has lower tendency to keep carbon species on its structure and hence excellent stability can be observed for this catalyst.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JaJAP..56gKC02T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JaJAP..56gKC02T"><span>Fabrication and electrical properties of a (Pb,La)(Zr,Ti)O3 capacitor with pulsed laser deposited Sn-doped In2O3 bottom electrode on Al2O3(0001)</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Takada, Yoko; Tamano, Rika; Okamoto, Naoki; Saito, Takeyasu; Yoshimura, Takeshi; Fujimura, Norifumi; Higuchi, Koji; Kitajima, Akira</p> <p>2017-07-01</p> <p>A Sn-doped In2O3 (ITO) electrode was deposited on Al2O3(0001) using pulsed laser deposition at different oxygen pressures to create the bottom electrode of a (Pb,La)(Zr,Ti)O3 (PLZT) capacitor. The crystallographic orientation of the ITO films was controlled via the oxygen pressure. At 600 °C the (111) peak became dominant when the O2 pressure was increased, and when the pressure reached 2.0 Pa the ITO films became preferentially (111) oriented. The remnant polarization was 58.8-90.7 and 46.0-47.5 µC/cm2 for the Pt/PLZT/ITO and ITO/PLZT/ITO capacitors, respectively; the ferroelectric properties of these capacitors were also determined.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013JNuM..442..124Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013JNuM..442..124Z"><span>Crystallographic study of Si and ZrN coated U-Mo atomised particles and of their interaction with al under thermal annealing</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zweifel, T.; Palancher, H.; Leenaers, A.; Bonnin, A.; Honkimaki, V.; Tucoulou, R.; Van Den Berghe, S.; Jungwirth, R.; Charollais, F.; Petry, W.</p> <p>2013-11-01</p> <p>A new type of high density fuel is needed for the conversion of research and test reactors from high to lower enriched uranium. The most promising one is a dispersion of atomized uranium-molybdenum (U-Mo) particles in an Al matrix. However, during in-pile irradiation the growth of an interaction layer between the U-Mo and the Al matrix strongly limits the fuel's performance. To improve the in-pile behaviour, the U-Mo particles can be coated with protective layers. The SELENIUM (Surface Engineering of Low ENrIched Uranium-Molybdenum) fuel development project consists of the production, irradiation and post-irradiation examination of 2 flat, full-size dispersion fuel plates containing respectively Si and ZrN coated U-Mo atomized powder dispersed in a pure Al matrix. In this paper X-ray diffraction analyses of the Si and ZrN layers after deposition, fuel plate manufacturing and thermal annealing are reported. It was found for the U-Mo particles coated with ZrN (thickness 1 μm), that the layer is crystalline, and exhibits lower density than the theoretical one. Fuel plate manufacturing does not strongly influence these crystallographic features. For the U-Mo particles coated with Si (thickness 0.6 μm), the measurements of the as received material suggest an amorphous state of the deposited layer. Fuel plate manufacturing strongly modifies its composition: Si reacts with the U-Mo particles and the Al matrix to grow U(Al, Si)3 and U3Si5 phases. Finally both coatings have shown excellent performances under thermal treatment by limiting drastically the U-Mo/Al interdiffusion. U(Al,Si)3 with two lattice parameters (4.16 Å and 4.21 Å), A distorted U3Si5 phase. Note that these phases were not present in the U-Mo(Si) powders. These phases are usually found in the Silicon rich diffusion layer (SiRDL) obtained in dispersed fuels (as-manufactured U-Mo/Al(Si) fuel plates [12,3] or annealed UMo(Si)/Al fuel rods [40]) as well as in diffusion couples (U-Mo/Al(Si7) [37-39] or U-Mo/Si [41]). This analysis is furthermore in full agreement with the SEM/EDX characterisations which have highlighted the growth of a SiRDL in these U-Mo(Si)/Al_P fuel plates [30]. However it must be stressed that the amount of these U(Al,Si)3 and U3Si5 crystalline phases (about 0.3 wt%) is lower than the one obtained for fuel plates containing 4-6 wt% Si in the matrix [12]. It equals to the SiRDL amount measured in the IRIS4_2.1%Si fuel plate. Using these HE-XRD measurements, the Si concentration in SiRDLs is evaluated to 51 at%. This value is somewhat higher than when measured by EDX: it has been estimated to 40 at% in [30]. U2Mo and α"-U phase for compacts annealed at 340 °C, U2Mo and α'-U phase for compacts annealed at 450 °C [43], gamma;-U-Mo and α'-U for compacts annealed at 550 °C. These results obtained on compacts are in good agreement with previous works performed on U-8Mo ingots (see Fig. 9A) -even if some differences in the α-U phase structure must be mentioned - and in very close agreement with recent studies on thermally annealed U-Mo/Al fuel plates. Indeed destabilisation products found in this work are identical to those identified after fuel plate annealing at 550 °C [25] and 450 °C [43]. Moreover this work helps establishing that destabilisation products are U2Mo and α"-U at lower temperatures (below 450 °C). This was first demonstrated on fuel plates annealed at 425 °C for more than 50 h [43] and this is confirmed here with the analysis of the compacts annealed at 340 °C during 130 days. Note finally that whatever the presence of a coating, destabilisation ratios are very close in compacts annealed in the same conditions (see Fig. 9B) and that destabilisation ratios show the expected increase between 2 and 4 h annealing at 550 °C. The non-annealed U-Mo(Si)/Al compact has been lost during fabrication.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28773831','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28773831"><span>A New Superhard Phase and Physical Properties of ZrB₃ from First-Principles Calculations.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Zhang, Gangtai; Bai, Tingting; Zhao, Yaru; Hu, Yanfei</p> <p>2016-08-22</p> <p>Using the first-principles particle swarm optimization algorithm for crystal structural prediction, we have predicted a novel monoclinic C 2/ m structure for ZrB₃, which is more energetically favorable than the previously proposed FeB₃-, TcP₃-, MoB₃-, WB₃-, and OsB₃-type structures in the considered pressure range. The new phase is mechanically and dynamically stable, as confirmed by the calculations of its elastic constants and phonon dispersion curve. The calculated large shear modulus (227 GPa) and high hardness (42.2 GPa) show that ZrB₃ within the monoclinic phase is a potentially superhard material. The analyses of the electronic density of states and chemical bonding reveal that the strong B-B and B-Zr covalent bonds are attributed to its high hardness. By the quasi-harmonic Debye model, the heat capacity, thermal expansion coefficient and Grüneisen parameter of ZrB₃ are also systemically investigated.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JMMM..422...43G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JMMM..422...43G"><span>Mechanochemical synthesis of magnetically hard anisotropic RFe10Si2 powders with R representing combinations of Sm, Ce and Zr</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gabay, A. M.; Hadjipanayis, G. C.</p> <p>2017-01-01</p> <p>Alloy synthesis consisting of mechanical activation followed by annealing was explored as a method of manufacturing medium-grade permanent magnet materials with a reduced content of the critical rare earth elements. Four RxFe10Si2 alloys with R=Sm, Sm0.7Zr0.3, Sm0.3Ce0.3Zr0.4 and Ce0.6Zr0.4 (nominal compositions) were prepared from mixtures of Sm2O3, CeO2, ZrO2, Fe2O3 and Si powders in the presence of a reducing agent Ca and a CaO dispersant. The collected alloy particles typically consisted of few joined submicron crystals. For R=Sm, X-ray diffraction analysis reveals a significant amount of the unwanted Th2Zn17-type compound forming alongside the desired ThMn12-type 1:12 compound. A more pure 1:12 phase could be obtained for R=Ce0.6Zr0.4, but it exhibited a room-temperature coercivity of less than 1 kOe. The most pure 1:12 phase and the highest values of the coercivity (10.8 kOe) and calculated maximum energy product (13.8 MGOe) were obtained for R=Sm0.7Zr0.3 processed at 1150 °C. The calculated maximum energy products of the Sm0.3Ce0.3Zr0.4Fe10Si2 particles, with half of their rare earths constituents represented by the relatively abundant Ce, was 10.1 MGOe.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/985399','DOE-PATENT-XML'); return false;" href="https://www.osti.gov/servlets/purl/985399"><span>Method and apparatus for preparation of spherical metal carbonates and lithium metal oxides for lithium rechargeable batteries</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/doepatents">DOEpatents</a></p> <p>Kang, Sun-Ho [Naperville, IL; Amine, Khalil [Downers Grove, IL</p> <p>2008-10-14</p> <p>A number of materials with the composition Li.sub.1+xNi.sub..alpha.Mn.sub..beta.Co.sub..gamma.M'.sub..delta.O.sub.2-- zF.sub.z (M'=Mg,Zn,Al,Ga,B,Zr,Ti) for use with rechargeable batteries, wherein x is between about 0 and 0.3, .alpha. is between about 0.2 and 0.6, .beta. is between about 0.2 and 0.6, .gamma. is between about 0 and 0.3, .delta. is between about 0 and 0.15, and z is between about 0 and 0.2. Adding the above metal and fluorine dopants affects capacity, impedance, and stability of the layered oxide structure during electrochemical cycling. Another aspect of the invention includes materials with the composition Li.sub.1+xNi.sub..alpha.Co.sub..beta.Mn.sub..gamma.M'.sub..delta.O.sub.yF- .sub.z (M'=Mg,Zn,Al,Ga,B,Zr,Ti), where the x is between 0 and 0.2, the .alpha. between 0 and 1, the .beta. between 0 and 1, the .gamma. between 0 and 2, the .delta. between about 0 and about 0.2, the y is between 2 and 4, and the z is between 0 and 0.5.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1126742-growth-kinetics-microstructural-evolution-during-hot-isostatic-pressing-wt-mo-monolithic-fuel-plate-aa6061-cladding-zr-diffusion-barrier','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1126742-growth-kinetics-microstructural-evolution-during-hot-isostatic-pressing-wt-mo-monolithic-fuel-plate-aa6061-cladding-zr-diffusion-barrier"><span>Growth kinetics and microstructural evolution during hot isostatic pressing of U-10 wt.% Mo monolithic fuel plate in AA6061 cladding with Zr diffusion barrier</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Y. Park; J. Yoo; K. Huang</p> <p>2014-04-01</p> <p>Phase constituents and microstructure changes in RERTR fuel plate assemblies as functions of temperature and duration of hot-isostatic pressing (HIP) during fabrication were examined. The HIP process was carried out as functions of temperature (520, 540, 560 and 580 °C for 90 min) and time (45–345 min at 560 °C) to bond 6061 Al-alloy to the Zr diffusion barrier that had been co-rolled with U-10 wt.% Mo (U10Mo) fuel monolith prior to the HIP process. Scanning and transmission electron microscopies were employed to examine the phase constituents, microstructure and layer thickness of interaction products from interdiffusion. At the interface betweenmore » the U10Mo and Zr, following the co-rolling, the UZr2 phase was observed to develop adjacent to Zr, and the a-U phase was found between the UZr2 and U10Mo, while the Mo2Zr was found as precipitates mostly within the a-U phase. The phase constituents and thickness of the interaction layer at the U10Mo-Zr interface remained unchanged regardless of HIP processing variation. Observable growth due to HIP was only observed for the (Al,Si)3Zr phase found at the Zr/AA6061 interface, however, with a large activation energy of 457 ± 28 kJ/mole. Thus, HIP can be carried to improve the adhesion quality of fuel plate without concern for the excessive growth of the interaction layer, particularly at the U10Mo-Zr interface with the a-U, Mo2Zr, and UZr2 phases.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014JNuM..447..215P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014JNuM..447..215P"><span>Growth kinetics and microstructural evolution during hot isostatic pressing of U-10 wt.% Mo monolithic fuel plate in AA6061 cladding with Zr diffusion barrier</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Park, Y.; Yoo, J.; Huang, K.; Keiser, D. D.; Jue, J. F.; Rabin, B.; Moore, G.; Sohn, Y. H.</p> <p>2014-04-01</p> <p>Phase constituents and microstructure changes in RERTR fuel plate assemblies as functions of temperature and duration of hot-isostatic pressing (HIP) during fabrication were examined. The HIP process was carried out as functions of temperature (520, 540, 560 and 580 °C for 90 min) and time (45-345 min at 560 °C) to bond 6061 Al-alloy to the Zr diffusion barrier that had been co-rolled with U-10 wt.% Mo (U10Mo) fuel monolith prior to the HIP process. Scanning and transmission electron microscopies were employed to examine the phase constituents, microstructure and layer thickness of interaction products from interdiffusion. At the interface between the U10Mo and Zr, following the co-rolling, the UZr2 phase was observed to develop adjacent to Zr, and the α-U phase was found between the UZr2 and U10Mo, while the Mo2Zr was found as precipitates mostly within the α-U phase. The phase constituents and thickness of the interaction layer at the U10Mo-Zr interface remained unchanged regardless of HIP processing variation. Observable growth due to HIP was only observed for the (Al,Si)3Zr phase found at the Zr/AA6061 interface, however, with a large activation energy of 457 ± 28 kJ/mole. Thus, HIP can be carried to improve the adhesion quality of fuel plate without concern for the excessive growth of the interaction layer, particularly at the U10Mo-Zr interface with the α-U, Mo2Zr, and UZr2 phases.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/1408125-investigation-stability-glass-ceramic-composites-containing-ceti-cazrti-after-ion-implantation','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/1408125-investigation-stability-glass-ceramic-composites-containing-ceti-cazrti-after-ion-implantation"><span>Investigation of the stability of glass-ceramic composites containing CeTi 2 O 6 and CaZrTi 2 O 7 after ion implantation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Paknahad, Elham; Grosvenor, Andrew P.</p> <p></p> <p>Glass-ceramic composite materials have been investigated for nuclear waste sequestration applications due to their ability to incorporate large amounts of radioactive waste elements. A key property that needs to be understood when developing nuclear waste sequestration materials is how the structure of the material responds to radioactive decay of nuclear waste elements, which can be simulated by high energy ion implantation. Borosilicate glass-ceramic composites containing brannerite-type (CeTi2O6) or zirconolite-type (CaZrTi2O7) oxides were synthesized at different annealing temperatures and investigated after being implanted with high-energy Au ions to mimic radiation induced structural damage. Backscattered electron (BSE) images were collected to investigatemore » the interaction of the brannerite crystallites with the glass matrix before and after implantation and showed that the morphology of the crystallites in the composite materials were not affected by radiation damage. Surface sensitive Ti K-edge glancing angle XANES spectra collected from the implanted composite materials showed that the structures of the CeTi2O6 and CaZrTi2O7 ceramics were damaged as a result of implantation; however, analysis of Si L2,3-edge XANES spectra indicated that the glass matrix was not affected by ion implantation.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017SSSci..74..109P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017SSSci..74..109P"><span>Investigation of the stability of glass-ceramic composites containing CeTi2O6 and CaZrTi2O7 after ion implantation</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Paknahad, Elham; Grosvenor, Andrew P.</p> <p>2017-12-01</p> <p>Glass-ceramic composite materials have been investigated for nuclear waste sequestration applications due to their ability to incorporate large amounts of radioactive waste elements. A key property that needs to be understood when developing nuclear waste sequestration materials is how the structure of the material responds to radioactive decay of nuclear waste elements, which can be simulated by high energy ion implantation. Borosilicate glass-ceramic composites containing brannerite-type (CeTi2O6) or zirconolite-type (CaZrTi2O7) oxides were synthesized at different annealing temperatures and investigated after being implanted with high-energy Au ions to mimic radiation induced structural damage. Backscattered electron (BSE) images were collected to investigate the interaction of the brannerite crystallites with the glass matrix before and after implantation and showed that the morphology of the crystallites in the composite materials were not affected by radiation damage. Surface sensitive Ti K-edge glancing angle XANES spectra collected from the implanted composite materials showed that the structures of the CeTi2O6 and CaZrTi2O7 ceramics were damaged as a result of implantation; however, analysis of Si L2,3-edge XANES spectra indicated that the glass matrix was not affected by ion implantation.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015JCrGr.429...27B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015JCrGr.429...27B"><span>Microstructure and crystallography of Al2O3-Y3Al5O12-ZrO2 ternary eutectic oxide grown by the micropulling down technique</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Benamara, Omar; Cherif, Maya; Duffar, Thierry; Lebbou, Kheirreddine</p> <p>2015-11-01</p> <p>The directional solidification of Al2O3-YAG-ZrO2 eutectic ceramic by a micro-pulling down (μ-PD) technique is investigated. The effect of the pulling rate (0.1-1 mm min-1) on the crystallography and the microstructure is discussed. This ternary eutectic system has a Chinese script microstructure and the eutectic spacing λ depends on the pulling rate υ following the law: λ = 6.5υ-1/2 where λ is in μm and υ in μm/s as derived from the Jackson-Hunt model. With the lower pulling rates, all phases are oriented with the <100> direction parallel to the growth direction; however other orientations appear at the higher pulling rates. The Cr3+ ions R-lines emission in the sapphire phase in the ternary eutectic composite is measured to estimate the stress in the alumina phase which is also shown to depend on the pulling rate.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016JNuM..471..122P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016JNuM..471..122P"><span>Systematic investigation of the strontium zirconium phosphate ceramic form for nuclear waste immobilization</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Pet'kov, Vladimir; Asabina, Elena; Loshkarev, Vladimir; Sukhanov, Maksim</p> <p>2016-04-01</p> <p>We have summarized our data and literature ones on the thermophysical properties and hydrolytic stability of Sr0.5Zr2(PO4)3 compound as a host NaZr2(PO4)3-type (NZP) structure for immobilization of 90Sr-containing radioactive waste. Absence of any polymorphic transformations on the temperature dependence of its heat capacity between 7 and 665 K is caused by the stability of crystalline Sr0.5Zr2(PO4)3. Calculated values of thermal conductivity coefficients at zero porosity in the range 298-673 K were 1.86-2.40 W·m-1 K-1. The compound may be classified as low thermal expanding material due to its average linear thermal expansion coefficient. Study of the hydrolytic stability in acid and alkaline media has shown that the relative mass fraction of Sr2+ ions, released into aggressive leaching media, didn't exceed 1% of the mass of sample. Soxhlet leaching studies have shown substantial resistance towards the release of Sr2+ ions into distilled water. Feeble sinterability constrains practical applications of NZP substances, that is why known in literature methods of Sr0.5Zr2(PO4)3 dense ceramics obtaining have been reviewed.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1241300-high-thermal-stability-la2o3-ceo2-stabilized-tetragonal-zro2','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1241300-high-thermal-stability-la2o3-ceo2-stabilized-tetragonal-zro2"><span>High thermal stability of La 2O 3 and CeO 2-stabilized tetragonal ZrO 2</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Wang, Shichao; Xie, Hong; Lin, Yuyuan; ...</p> <p>2016-02-15</p> <p>Catalyst support materials of tetragonal ZrO 2, stabilized by either La 2O 3 (La 2O 3-ZrO 2) or CeO 2 (CeO 2-ZrO 2), were synthesized under hydrothermal conditions at 200 °C with NH 4OH or tetramethylammonium hydroxide as the mineralizer. From In Situ synchrotron powder X-ray diffraction and small-angle X-ray scattering measurements, the calcined La 2O 3-ZrO 2 and CeO 2-ZrO 2 supports were nonporous nanocrystallites that exhibited rectangular shapes with thermal stability up to 1000 °C in air. These supports had an average size of ~10 nm and a surface area of 59-97 m 2/g. The catalysts Pt/La 2Omore » 3-ZrO 2 and Pt/CeO 2-ZrO 2 were prepared by using atomic layer deposition with varying Pt loadings from 6.3-12.4 wt %. Mono-dispersed Pt nanoparticles of ~3 nm were obtained for these catalysts. As a result, the incorporation of La 2O 3 and CeO 2 into the t-ZrO 2 structure did not affect the nature of the active sites for the Pt/ZrO 2 catalysts for the water-gas-shift (WGS) reaction.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27633603','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27633603"><span>Crystal Structure of AgBi2I7 Thin Films.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Xiao, Zewen; Meng, Weiwei; Mitzi, David B; Yan, Yanfa</p> <p>2016-10-06</p> <p>Synthesis of cubic-phase AgBi 2 I 7 iodobismuthate thin films and fabrication of air-stable Pb-free solar cells using the AgBi 2 I 7 absorber have recently been reported. On the basis of X-ray diffraction (XRD) analysis and nominal composition, it was suggested that the synthesized films have a cubic ThZr 2 H 7 crystal structure with AgBi 2 I 7 stoichiometry. Through careful examination of the proposed structure and computational evaluation of the phase stability and bandgap, we find that the reported "AgBi 2 I 7 " films cannot be forming with the ThZr 2 H 7 -type structure, but rather more likely adopt an Ag-deficient AgBiI 4 type. Both the experimental X-ray diffraction pattern and bandgap can be better explained by the AgBiI 4 structure. Additionally, the proposed AgBiI 4 structure, with octahedral bismuth coordination, removes unphysically short Bi-I bonding within the [BiI 8 ] hexahedra of the ThZr 2 I 7 model. Our results provide critical insights for assessing the photovoltaic properties of AgBi 2 I 7 iodobismuthate materials.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22711381','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22711381"><span>First-principles density functional calculation of electrochemical stability of fast Li ion conducting garnet-type oxides.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Nakayama, Masanobu; Kotobuki, Masashi; Munakata, Hirokazu; Nogami, Masayuki; Kanamura, Kiyoshi</p> <p>2012-07-28</p> <p>The research and development of rechargeable all-ceramic lithium batteries are vital to realize their considerable advantages over existing commercial lithium ion batteries in terms of size, energy density, and safety. A key part of such effort is the development of solid-state electrolyte materials with high Li(+) conductivity and good electrochemical stability; lithium-containing oxides with a garnet-type structure are known to satisfy the requirements to achieve both features. Using first-principles density functional theory (DFT), we investigated the electrochemical stability of garnet-type Li(x)La(3)M(2)O(12) (M = Ti, Zr, Nb, Ta, Sb, Bi; x = 5 or 7) materials against Li metal. We found that the electrochemical stability of such materials depends on their composition and structure. The electrochemical stability against Li metal was improved when a cation M was chosen with a low effective nuclear charge, that is, with a high screening constant for an unoccupied orbital. In fact, both our computational and experimental results show that Li(7)La(3)Zr(2)O(12) and Li(5)La(3)Ta(2)O(12) are inert to Li metal. In addition, the linkage of MO(6) octahedra in the crystal structure affects the electrochemical stability. For example, perovskite-type La(1/3)TaO(3) was found, both experimentally and computationally, to react with Li metal owing to the corner-sharing MO(6) octahedral network of La(1/3)TaO(3), even though it has the same constituent elements as garnet-type Li(5)La(3)Ta(2)O(12) (which is inert to Li metal and features isolated TaO(6) octahedra).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015NatCo...6E7932O','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015NatCo...6E7932O"><span>Flash Joule heating for ductilization of metallic glasses</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Okulov, I. V.; Soldatov, I. V.; Sarmanova, M. F.; Kaban, I.; Gemming, T.; Edström, K.; Eckert, J.</p> <p>2015-07-01</p> <p>Metallic glasses (MGs) inherit their amorphous structure from the liquid state, which predetermines their ability to withstand high loads approaching the theoretical limit. However, the absence of slip systems makes them very sensitive to the type of loading and extremely brittle in tension. The latter can be improved by precipitation of ductile crystals, which suppress a catastrophic propagation of shear bands in a glassy matrix. Here we report a novel approach to obtain MG-matrix composites with tensile ductility by flash Joule heating applied to Cu47.5Zr47.5Al5 (at.%) metallic glass. This homogeneous, volumetric and controllable rapid heat treatment allows achieving uniformly distributed metastable B2 CuZr crystals in the glassy matrix. It results in a significant tensile strain of 6.8+/-0.5%. Moreover, optimized adjustment of the heat-treatment conditions enables tuning of microstructure to achieve desired mechanical properties.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016ApSS..369..501T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016ApSS..369..501T"><span>Apatite layer growth on glassy Zr48Cu36Al8Ag8 sputtered titanium for potential biomedical applications</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Thanka Rajan, S.; Karthika, M.; Bendavid, Avi; Subramanian, B.</p> <p>2016-04-01</p> <p>The bioactivity of magnetron sputtered thin film metallic glasses (TFMGs) of Zr48Cu36Al8Ag8 (at.%) on titanium substrates was tested for bio implant applications. The structural and elemental compositions of TFMGs were analyzed by XRD, XPS and EDAX. X-ray diffraction analysis displayed a broad hump around the incident angle of 30-50°, suggesting that the coatings possess a glassy structure. An in situ crystal growth of hydroxyapatite was observed by soaking the sputtered specimen in simulated body fluid (SBF). The nucleation and growth of a calcium phosphate (Ca-P) bone-like hydroxyapatite on Zr48Cu36Al8Ag8 (at.%) TFMG from SBF was investigated by using XRD, AFM and SEM. The presence of calcium and phosphorus elements was confirmed by EDAX and XPS. In vitro electrochemical corrosion studies indicated that the Zr-based TFMG coating sustain in the stimulated body-fluid (SBF), exhibiting superior corrosion resistance with a lower corrosion penetration rate and electrochemical stability than the bare crystalline titanium substrate.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JMEP...26..358Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JMEP...26..358Y"><span>An Impact of Zirconium Doping of Zn-Al Braze on the Aluminum-Stainless Steel Joints Integrity During Aging</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yang, Jinlong; Xue, Songbai; Sekulic, Dusan P.</p> <p>2017-01-01</p> <p>This work offers an analysis of the microstructure and the growth rate of an intermetallic compound within the aged AA 6061 aluminum alloy-304 stainless steel joint brazed with Zn-15Al and Zn-15Al-0.2Zr filler metals. The effect of zirconium addition on mechanical integrity of the brazed joint was studied. The experimental results confirm that the thickness of the Fe-Al intermetallic layer formed at the brazed seam/stainless steel interface increases with the increase of the aging time. Furthermore, it is established that the growth rate of the intermetallic layer for the Zn-15Al-0.2Zr brazed joint was lower than that for Zn-15Al. The results also indicate that the shear strength of both Zn-15Al and Zn-15Al-0.2Zr brazed joints decreases monotonously during aging. The value of the strength after aging lasting for 800 h for Zn-15Al and Zn-15Al-0.2Zr has decreased by 20 and 17%, respectively. The fracture of joints occurred at the interface between the brazed seam and the Fe4Al13 intermetallic layer. The morphology of the surfaces exhibits a cleavage fracture.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://ntrs.nasa.gov/search.jsp?R=20030111518&hterms=barium&qs=N%3D0%26Ntk%3DAll%26Ntx%3Dmode%2Bmatchall%26Ntt%3Dbarium','NASA-TRS'); return false;" href="https://ntrs.nasa.gov/search.jsp?R=20030111518&hterms=barium&qs=N%3D0%26Ntk%3DAll%26Ntx%3Dmode%2Bmatchall%26Ntt%3Dbarium"><span>Isotopic Composition of Molybdenum and Barium in Single Presolar Silicon Carbide Grains of Type A+B</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Savina, M. R.; Tripa, C. E.; Pellin, M. J.; Davis, A. M.; Clayton, R. N.; Lewis, R. S.; Amari, S.</p> <p>2003-01-01</p> <p>Presolar SiC grains fall into several groups based on C, N, and Si isotopic compositions. Approximately 93% are defined as mainstream, having 10 less than C-12/C-13 less than 100 and N-14/N-15 ranging from 50 to 20,000. A number of studies have shown that the most likely sources of mainstream grains are low mass asymptotic giant branch stars. Models of nucleosynthesis in AGB stars reproduce the s-process enhancements seen in the heavy elements in mainstream SiC grains. Among the less common grains, A+B grains, which comprise approximately 3-4% of presolar SiC, are perhaps the least well understood. Recent studies by Amari et al. show that A+B grains can be divided into at least 4 groups based on their trace element concentration patterns. Of 20 grains studied, 7 showed trace element patterns consistent with condensation from a gas of solar system composition, while the rest had varying degrees of process enhancements. Our previous measurements on 3 A+B grains showed Mo of solar isotopic composition, but Zr with a strong enhancement in 96Zr, which is an r-process isotope but can be made in an sprocess if the neutron density is high enough to bridge the unstable Zr-95 (T(sub 1/2)= 64 d). The observation of Mo with solar system isotopic composition in the same grains is puzzling however. Meyer et al. have recently shown that a neutron burst mechanism can produce a high Zr-96/Zr-94 without enhancing Mo-100, however this model leads to enhancements in Mo-95 and Mo-97 not observed in A+B grains. We report here results of Mo measurements on 7 additional A+B grains, and Ba measurements on 2 A+B grains, and compare these to the previous studies.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_20");'>20</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li class="active"><span>22</span></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_22 --> <div id="page_23" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li class="active"><span>23</span></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li><a href="#" onclick='return showDiv("page_25");'>25</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="441"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016MMTB...47...27L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016MMTB...47...27L"><span>B Removal by Zr Addition in Electromagnetic Solidification Refinement of Si with Si-Al Melt</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Lei, Yun; Ma, Wenhui; Sun, Luen; Dai, Yongnian; Morita, Kazuki</p> <p>2016-02-01</p> <p>This study investigated a new process of enhancing B removal by adding small amounts of Zr in the electromagnetic solidification refinement of Si with Si-Al melt. B in Si was removed by as much as 97.2 pct by adding less than 1057 ppma Zr, and the added Zr was removed by as much as 99.7 pct. In addition, Zr is more effective in enhancing B removal than Ti in the same electromagnetic solidification refining process.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1235230-mixed-alcohol-dehydration-over-bronsted-lewis-acidic-catalysts','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1235230-mixed-alcohol-dehydration-over-bronsted-lewis-acidic-catalysts"><span>Mixed Alcohol Dehydration over Bronsted and Lewis Acidic Catalysts</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Nash, Connor P.; Ramanathan, Anand; Ruddy, Daniel A.; ...</p> <p>2015-12-01</p> <p>Mixed alcohols are attractive oxygenated products of biomass-derived syngas because they may be catalytically converted to a range of hydrocarbon products, including liquid hydrocarbon fuels. Catalytic dehydration to form olefins is a potential first step in the conversion of C 2–C 4 alcohols into longer-chain hydrocarbons. Here, we describe the physical and chemical characterization along with catalytic activity and selectivity of 4 Brønsted and Lewis acidic catalysts for the dehydration of two mixed alcohol feed streams that are representative of products from syngas conversion over K-CoMoS type catalysts (i.e., ethanol, 1-propanol, 1-butanol and 2-methyl-1-propanol). Specifically, a Lewis acidic Zr-incorporated mesoporousmore » silicate (Zr-KIT-6), a commercial Al-containing mesoporous silicate (Al-MCM-41), a commercial microporous aluminosilicate (HZSM-5), and a commercial microporous silicoaluminophosphate (SAPO-34) were tested for mixed alcohol dehydration at 250, 300 and 350 °C. The zeolite materials exhibited high activity (>98% ethanol conversion) at all temperatures while the mesoporous materials only displayed significant activity (>10% ethanol conversion) at or above 300 °C. The turnover frequencies for ethanol dehydration at 300 °C decreased in the following order: HZSM-5 > SAPO-34 > Al-MCM-41 > Zr-KIT-6, suggesting that Brønsted acidic sites are more active than Lewis acidic sites for alcohol dehydration. At 300 °C, SAPO-34 produced the highest yield of olefin products from both a water-free ethanol rich feed stream and a C 3+-alcohol rich feed stream containing water. Post-reaction characterization indicated changes in the Brønsted-to-Lewis acidic site ratios for Zr-KIT-6, Al-MCM-41 and HZSM-5. Ammonia temperature programmed desorption indicated that the acid sites of post-reaction samples could be regenerated following treatment in air. The post-reaction SAPO-34 catalyst contained more aromatic, methylated aromatic and polyaromatic compounds than its zeolite counterpart HZSM-5, while no aromatic compounds were observed on post-reaction Al-MCM-41 or Zr-KIT-6 catalysts. Olefin yield at 300 °C over SAPO-34 (>95%) was comparable to published values for the methanol-to-olefins process, indicating the potential industrial application of mixed alcohol dehydration. Furthermore, the olefin product distribution over SAPO-34 was tunable by the composition of the alcohol feed mixture.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1235230','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1235230"><span>Mixed Alcohol Dehydration over Bronsted and Lewis Acidic Catalysts</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Nash, Connor P.; Ramanathan, Anand; Ruddy, Daniel A.</p> <p></p> <p>Mixed alcohols are attractive oxygenated products of biomass-derived syngas because they may be catalytically converted to a range of hydrocarbon products, including liquid hydrocarbon fuels. Catalytic dehydration to form olefins is a potential first step in the conversion of C 2–C 4 alcohols into longer-chain hydrocarbons. Here, we describe the physical and chemical characterization along with catalytic activity and selectivity of 4 Brønsted and Lewis acidic catalysts for the dehydration of two mixed alcohol feed streams that are representative of products from syngas conversion over K-CoMoS type catalysts (i.e., ethanol, 1-propanol, 1-butanol and 2-methyl-1-propanol). Specifically, a Lewis acidic Zr-incorporated mesoporousmore » silicate (Zr-KIT-6), a commercial Al-containing mesoporous silicate (Al-MCM-41), a commercial microporous aluminosilicate (HZSM-5), and a commercial microporous silicoaluminophosphate (SAPO-34) were tested for mixed alcohol dehydration at 250, 300 and 350 °C. The zeolite materials exhibited high activity (>98% ethanol conversion) at all temperatures while the mesoporous materials only displayed significant activity (>10% ethanol conversion) at or above 300 °C. The turnover frequencies for ethanol dehydration at 300 °C decreased in the following order: HZSM-5 > SAPO-34 > Al-MCM-41 > Zr-KIT-6, suggesting that Brønsted acidic sites are more active than Lewis acidic sites for alcohol dehydration. At 300 °C, SAPO-34 produced the highest yield of olefin products from both a water-free ethanol rich feed stream and a C 3+-alcohol rich feed stream containing water. Post-reaction characterization indicated changes in the Brønsted-to-Lewis acidic site ratios for Zr-KIT-6, Al-MCM-41 and HZSM-5. Ammonia temperature programmed desorption indicated that the acid sites of post-reaction samples could be regenerated following treatment in air. The post-reaction SAPO-34 catalyst contained more aromatic, methylated aromatic and polyaromatic compounds than its zeolite counterpart HZSM-5, while no aromatic compounds were observed on post-reaction Al-MCM-41 or Zr-KIT-6 catalysts. Olefin yield at 300 °C over SAPO-34 (>95%) was comparable to published values for the methanol-to-olefins process, indicating the potential industrial application of mixed alcohol dehydration. Furthermore, the olefin product distribution over SAPO-34 was tunable by the composition of the alcohol feed mixture.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2010PhRvB..82h5319P','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2010PhRvB..82h5319P"><span>Ferroelectric Schottky diode behavior from a SrRuO3-Pb(Zr0.2Ti0.8)O3-Ta structure</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Pintilie, Lucian; Stancu, Viorica; Trupina, L.; Pintilie, Ioana</p> <p>2010-08-01</p> <p>A single ferroelectric Schottky diode was obtained on a SrRuO3-Pb(Zr0.2Ti0.8)O3-Ta (SRO-PZT20/80-Ta) structure in which the SRO-PZT20/80 interface is the rectifying contact and the PZT20/80-Ta interface behaves as a quasiohmic contact. Both the capacitance-voltage (C-V) and the current-voltage (I-V) characteristics show the memory effect due to the ferroelectric polarization. However, retention studies had revealed that only the “down” orientation of ferroelectric polarization is stable in time (polarization oriented from top to bottom contact). The analysis of the experimental results suggests that the PZT20/80 is n type and that the stable orientation of polarization is related to the presence of a depletion region at the SRO-PZT20/80 Schottky interface.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018MMTA..tmp.1517K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018MMTA..tmp.1517K"><span>Wear Behavior of Plasma Spray Deposited and Post Heat-Treated Hydroxyapatite (HA)-Based Composite Coating on Titanium Alloy (Ti-6Al-4V) Substrate</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kumari, Renu; Majumdar, Jyotsna Dutta</p> <p>2018-04-01</p> <p>The present study concerns a detailed evaluation of wear resistance property of plasma spray deposited composite hydroxyapatite (HA)-based (HA-50 wt pct TiO2 and HA-10 wt pct ZrO2) bioactive coatings developed on Ti-6Al-4V substrate and studying the effect of heat treatment on it. Heat treatment of plasma spray deposited samples has been carried out at 650 °C for 2 hours (for HA-50 wt pct TiO2 coating) and at 750 °C for 2 hours (for HA-10 wt pct ZrO2 coating). There is significant deterioration in wear resistance for HA-50 wt pctTiO2 coating and a marginal deterioration in wear resistance for HA-10 wt pct ZrO2 coating in as-sprayed state (as compared to as-received Ti-6Al-4V) which is, however, improved after heat treatment. The coefficient of friction is marginally increased for both HA-50 wt pct TiO2 and HA-10 wt pct ZrO2 coatings in as-sprayed condition as compared to Ti-6Al-4V substrate. However, coefficient of friction is decreased for both HA-50 wt pct TiO2 and HA-10 wt pct ZrO2 coatings after heat-treated condition as compared to Ti-6Al-4V substrate. The maximum improvement in wear resistance property is, however, observed for HA-10 wt pct ZrO2 sample after heat treatment. The mechanism of wear has been investigated.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2012JPS...218..474B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2012JPS...218..474B"><span>Ti12.5Zr21V10Cr8.5MnxCo1.5Ni46.5-x AB2-type metal hydride alloys for electrochemical storage application: Part 1. Structural characteristics</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Bendersky, L. A.; Wang, K.; Levin, I.; Newbury, D.; Young, K.; Chao, B.; Creuziger, A.</p> <p>2012-11-01</p> <p>The microstructures of a series of AB2-based metal hydride alloys (Ti12.5Zr21V10Cr8.5MnxCo1.5Ni46.5-x) designed to have different fractions of non-Laves secondary phases were studied by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, energy dispersive X-ray spectrometry, and electron backscatter diffraction. The results indicate that the alloys contain a majority of hydrogen storage Laves phases and a minority of fine-structured non-Laves phases. Formation of the phases is accomplished by dendritic growth of a hexagonal C14 Laves phase. The C14 phase is followed by either a peritectic solidification of a cubic C15 Laves phase (low Mn containing alloys) or a C14 phase of different composition (high Mn containing alloys), and finally a B2 phase formed in the interdendritic regions (IDR). The interdendritic regions may then undergo further solid-state transformation into Zr7Ni10-type, Zr9Ni11-type and TiNi-type phases. As the Mn content in the alloy increases, the fraction of the C14 phase increases, whereas the fraction of C15 decreases. In the IDRs when the alloy's Mn content increases the Zr9Ni11 phases and Zr7Ni10 phase fraction first increases and then decreases, while the TiNi-based phase fraction first increases and then stabilized at 0.02. IDR compositions can be generally expressed as (Ti,Zr,V,Cr,Mn,Co)50Ni50, which accounted for 7-10% of the overall alloy volume fraction.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2005JPCM...17.7885B','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2005JPCM...17.7885B"><span>An important factor powerfully influencing the Al Ni-based alloys' glass-forming ability</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Bo, Zhang; Xiufang, Bian; Chunxia, Fu; Na, Han; Jiankun, Zhou; Weimin, Wang</p> <p>2005-12-01</p> <p>In order to get better glass-forming abilities (GFAs), Ni atoms are partially replaced by Cu and Co atoms in Al84Ni12Zr4 alloys. Thermal analysis shows that the reduced crystallization temperature Trx has no direct correlation with the GFA of the alloys. However, it is notable that prepeaks have been found in the total structure factors of the amorphous Al84Ni(12-x)Zr4Cux and Al84Ni(12-x)Zr4Cox alloys. In addition, the results prove that the intensity of the prepeaks influences the GFA powerfully. The amorphous alloys with larger intensity of the prepeak show better GFA. The influence of prepeaks on the GFA can be explained by the atomic configuration difference among the liquid, crystal and glass states.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014JPS...260..109L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014JPS...260..109L"><span>Excess lithium salt functions more than compensating for lithium loss when synthesizing Li6.5La3Ta0.5Zr1.5O12 in alumina crucible</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Liu, Kai; Ma, Jiang-Tao; Wang, Chang-An</p> <p>2014-08-01</p> <p>Garnet type electrolyte "Li6.5La3Ta0.5Zr1.5O12" (LLZTO) was prepared by conventional solid-state reaction in alumina crucibles and excess lithium salt (from 0% to 50 mol%) was added into the starting materials to investigate the effects of excess lithium salt on the property of LLZTO. SEM, XRD and AC impedance were used to determine the microstructure, phase formation and Li-ion conductivity. Cubic garnet with a minor second phase LiAlO2 in the grain boundary was obtained for the pellets with excess lithium salt. As the amount of excess lithium salt increased, more Al element diffused from alumina crucibles to LLZTO pellets and reacted with excess lithium salt to form liquid Li2O-Al2O3 phase in the grain boundary, which accelerated the pellets' densification and reduced lithium loss at a high temperature. Ionic conductivity of LLZTO pellets increased with the amount of excess lithium salt added and leveled off at ∼4 × 10-4 S cm-1 when lithium salt exceeded 30 mol%. The performance of Li-air batteries with hybrid electrolytes, using homemade LLZTO thin pellets as solid electrolytes, was investigated. The LLZTO thin pellet with more excess lithium salt in starting material had a higher density and resulted in better cell performance.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/871490','DOE-PATENT-XML'); return false;" href="https://www.osti.gov/servlets/purl/871490"><span>Nanostructure multilayer dielectric materials for capacitors and insulators</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/doepatents">DOEpatents</a></p> <p>Barbee, Jr., Troy W.; Johnson, Gary W.</p> <p>1998-04-21</p> <p>A capacitor is formed of at least two metal conductors having a multilayer dielectric and opposite dielectric-conductor interface layers in between. The multilayer dielectric includes many alternating layers of amorphous zirconium oxide (ZrO.sub.2) and alumina (Al.sub.2 O.sub.3). The dielectric-conductor interface layers are engineered for increased voltage breakdown and extended service life. The local interfacial work function is increased to reduce charge injection and thus increase breakdown voltage. Proper material choices can prevent electrochemical reactions and diffusion between the conductor and dielectric. Physical vapor deposition is used to deposit the zirconium oxide (ZrO.sub.2) and alumina (Al.sub.2 O.sub.3) in alternating layers to form a nano-laminate.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/644433','DOE-PATENT-XML'); return false;" href="https://www.osti.gov/biblio/644433"><span>Nanostructure multilayer dielectric materials for capacitors and insulators</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/doepatents">DOEpatents</a></p> <p>Barbee, T.W. Jr.; Johnson, G.W.</p> <p>1998-04-21</p> <p>A capacitor is formed of at least two metal conductors having a multilayer dielectric and opposite dielectric-conductor interface layers in between. The multilayer dielectric includes many alternating layers of amorphous zirconium oxide (ZrO{sub 2}) and alumina (Al{sub 2}O{sub 3}). The dielectric-conductor interface layers are engineered for increased voltage breakdown and extended service life. The local interfacial work function is increased to reduce charge injection and thus increase breakdown voltage. Proper material choices can prevent electrochemical reactions and diffusion between the conductor and dielectric. Physical vapor deposition is used to deposit the zirconium oxide (ZrO{sub 2}) and alumina (Al{sub 2}O{sub 3}) in alternating layers to form a nano-laminate. 1 fig.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017A%26A...599A.142R','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017A%26A...599A.142R"><span>Stellar laboratories . VIII. New Zr iv-vii, Xe iv-v, and Xe vii oscillator strengths and the Al, Zr, and Xe abundances in the hot white dwarfs G191-B2B and RE 0503-289</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Rauch, T.; Gamrath, S.; Quinet, P.; Löbling, L.; Hoyer, D.; Werner, K.; Kruk, J. W.; Demleitner, M.</p> <p>2017-03-01</p> <p>Context. For the spectral analysis of high-resolution and high-signal-to-noise spectra of hot stars, state-of-the-art non-local thermodynamic equilibrium (NLTE) model atmospheres are mandatory. These are strongly dependent on the reliability of the atomic data that is used for their calculation. Aims: To search for zirconium and xenon lines in the ultraviolet (UV) spectra of G191-B2B and RE 0503-289, new Zr iv-vii, Xe iv-v, and Xe vii oscillator strengths were calculated. This allows, for the first time, determination of the Zr abundance in white dwarf (WD) stars and improvement of the Xe abundance determinations. Methods: We calculated Zr iv-vii, Xe iv-v, and Xe vii oscillator strengths to consider radiative and collisional bound-bound transitions of Zr and Xe in our NLTE stellar-atmosphere models for the analysis of their lines exhibited in UV observations of the hot WDs G191-B2B and RE 0503-289. Results: We identified one new Zr iv, 14 new Zr v, and ten new Zr vi lines in the spectrum of RE 0503-289. Zr was detected for the first time in a WD. We measured a Zr abundance of -3.5 ± 0.2 (logarithmic mass fraction, approx. 11 500 times solar). We identified five new Xe vi lines and determined a Xe abundance of -3.9 ± 0.2 (approx. 7500 times solar). We determined a preliminary photospheric Al abundance of -4.3 ± 0.2 (solar) in RE 0503-289. In the spectra of G191-B2B, no Zr line was identified. The strongest Zr iv line (1598.948 Å) in our model gave an upper limit of -5.6 ± 0.3 (approx. 100 times solar). No Xe line was identified in the UV spectrum of G191-B2B and we confirmed the previously determined upper limit of -6.8 ± 0.3 (ten times solar). Conclusions: Precise measurements and calculations of atomic data are a prerequisite for advanced NLTE stellar-atmosphere modeling. Observed Zr iv-vi and Xe vi-vii line profiles in the UV spectrum of RE 0503-289 were simultaneously well reproduced with our newly calculated oscillator strengths. Based on observations with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS5-26666. Based on observations made with the NASA-CNES-CSA Far Ultraviolet Spectroscopic Explorer. Tables A.9-A.12 and B.5-B.7 are only available via the German Astrophysical Virtual Observatory (GAVO) service TOSS (http://dc.g-vo.org/TOSS).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/462858','DOE-PATENT-XML'); return false;" href="https://www.osti.gov/biblio/462858"><span>Iron aluminide useful as electrical resistance heating elements</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/doepatents">DOEpatents</a></p> <p>Sikka, V.K.; Deevi, S.C.; Fleischhauer, G.S.; Hajaligol, M.R.; Lilly, A.C. Jr.</p> <p>1997-04-15</p> <p>The invention relates generally to aluminum containing iron-base alloys useful as electrical resistance heating elements. The aluminum containing iron-base alloys have improved room temperature ductility, electrical resistivity, cyclic fatigue resistance, high temperature oxidation resistance, low and high temperature strength, and/or resistance to high temperature sagging. The alloy has an entirely ferritic microstructure which is free of austenite and includes, in weight %, over 4% Al, {<=}1% Cr and either {>=}0.05% Zr or ZrO{sub 2} stringers extending perpendicular to an exposed surface of the heating element or {>=}0.1% oxide dispersoid particles. The alloy can contain 14-32% Al, {<=}2% Ti, {<=}2% Mo, {<=}1% Zr, {<=}1% C, {<=}0.1% B, {<=}30% oxide dispersoid and/or electrically insulating or electrically conductive covalent ceramic particles, {<=}1% rare earth metal, {<=}1% oxygen, {<=}3% Cu, balance Fe. 64 figs.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/25116267','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/25116267"><span>Electronic structure study of Ce1-xAxO2 (A = Zr & Hf) nanoparticles: NEXAFS and EXAFS investigations.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Sharma, Aditya; Varshney, Mayora; Shin, Hyun-Joon; Park, Yong Jun; Kim, Min-Gyu; Ha, Tae-Kyun; Chae, Keun Hwa; Gautam, Sanjeev</p> <p>2014-10-07</p> <p>Single phase nanoparticles (NPs) of CeO2, Ce0.5Zr0.5O2, Ce0.5Hf0.5O2 and Ce0.5Hf0.25Zr0.25O2 were successfully synthesized by co-precipitation method at constant pH and temperature. The X-ray diffraction results revealed that the additive atoms did not segregate to form secondary phases but led to grain size variation in the NPs. The 10 Dq values in the near edge X-ray absorption fine structure (NEXAFS) spectra at the O K-edge did not vary in the same way as the average grain size was changed for the doped CeO2 NPs. The deconvolution of Ce M5-edge and detailed analysis of O K pre-edge peak have shown the higher Ce(+3)/(Ce(+3) + Ce(+4)) ratio in the Zr- and Hf-doped samples. The local atomic structure around the Ce, Zr and Hf atoms was investigated using extended X-ray absorption fine structure (EXAFS) spectroscopy at Ce K-edge, Zr K-edge and Hf L3-edge, respectively, and the EXAFS data were fitted with the theoretical calculations. The 4f occupancy, Ce(+3)/(Ce(+3) + Ce(+4)) ratio of Ce ions, coordination number of Ce and Ce-Ce/Ce-O bond distances were sensitive to the additive atoms but not explicitly changed according to the grain size variation in the NPs.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22097574','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22097574"><span>Effects of interfacial layer on characteristics of TiN/ZrO2 structures.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Kim, Younsoo; Kang, Sang Yeol; Choi, Jae Hyoung; Lim, Jae Soon; Park, Min Young; Chung, Suk-Jin; Chung, Jaegwan; Lee, Hyung Ik; Kim, Ki Hong; Kyoung, Yong Koo; Heo, Sung; Yoo, Cha Young; Kang, Ho-Kyu</p> <p>2011-09-01</p> <p>To minimize the formation of unwanted interfacial layers, thin interfacial layer (ZrCN layer) was deposited between TiN bottom electrode and ZrO2 dielectric in TiN/ZrO2/TiN capacitor. Carbon and nitrogen were also involved in the layer because ZrCN layer was thermally deposited using TEMAZ without any reactant. Electrical characteristics of TiN/ZrO2/TiN capacitor were improved by insertion of ZrCN layer. The oxidation of TiN bottom electrode was largely inhibited at TiN/ZrCN/ZrO2 structure compared to TiN/ZrO2 structure. While the sheet resistance of TiN/ZrCN/ZrO2 structure was constantly sustained with increasing ZrO2 thickness, the large increase of sheet resistance was observed in TiN/ZrO2 structure after 6 nm ZrO2 deposition. When ZrO2 films were deposited on ZrCN layer, the deposition rate of ZrO2 also increased. It is believed that ZrCN layer acted both as a protection layer of TiN oxidation and a seed layer of ZrO2 growth.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2002JAP....92.1833K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2002JAP....92.1833K"><span>Influence of growth temperature on properties of zirconium dioxide films grown by atomic layer deposition</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kukli, Kaupo; Ritala, Mikko; Aarik, Jaan; Uustare, Teet; Leskela, Markku</p> <p>2002-08-01</p> <p>ZrO2 films were grown by atomic layer deposition from ZrCl4 and H2O or a mixture of H2O and H2O2 on Si(100) substrates in the temperature range of 180-600 degC. The films were evaluated in the as-deposited state, in order to follow the effect of deposition temperature on the film quality. The rate of crystal growth increased and the content of residual impurities decreased with increasing temperature. The zirconium-to-oxygen atomic ratio, determined by ion-beam analysis, corresponded to the stoichiometric dioxide regardless of the growth temperature. The effective permittivity of ZrO2 in Al/ZrO2/Si capacitor structures increased from 13-15 in the films grown at 180 degC to 19 in the films grown at 300-600 degC, measured at 100 kHz. The permittivity was relatively high in the crystallized films, compared to the amorphous ones, but rather insensitive to the crystal structure. The permittivity was higher in the films grown using water. The leakage current density tended to be lower and the breakdown field higher in the films grown using hydrogen peroxide.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2011AGUFM.V22C..05L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2011AGUFM.V22C..05L"><span>Constraining cooling rates of UHP metamorphic rocks with closure temperature geospeedometry: a case study from the Dabie orogen</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Lloyd, M. K.; Shimizu, N.; Wang, Z.; Zheng, Y.</p> <p>2011-12-01</p> <p>UHP metamorphic rocks can reach peak temperatures and pressures >800°C and >3GPa, and provide unique opportunities for studying geochemical processes in subduction zones. How and how fast they were exhumed are, however, still outstanding questions. Here we report SIMS-based Zr concentrations in rutiles from an eclogite sample from Huangzhen in the South Dabie low-T/UHP zone, east-central China, and present a closure temperature-based approach to constrain the cooling/exhumation rate of UHP rocks. Li et al. (2004) put peak metamorphism at a time prior to 236.1 ± 4.2 Ma., but estimates for peak temperatures and pressures in South Dabie vary wildly depending on the rock suite. The fine-grained eclogites in the Dabie orogen were estimated to have reached conditions of 641-839 °C and 2.00-3.54 GPa (Shi and Wang, 2006) based on Fe-Mg partition thermometry and metamorphic phase equilibria. These samples were reported to contain quartz, zircon, and rutile phases that reached thermodynamic equilibrium with each other. In this study, Zr concentrations of rutiles were obtained using the Cameca IMS 1280 ion microprobe at Northeast National Ion Microprobe Facility, by converting secondary ion intensity ratios, 90Zr/46Ti, to concentrations using rutile standards described by Luvizotto et al. (2009), with analytical uncertainties of 5.1%. Temperatures were then calculated using the method of Ferry and Watson (2007). It was found that Zr concentrations range from 38.6(2.4) to 134.6(4.5) ppm, resulting in a temperature range of 504(24) to 583(27)°C for 72 grains with size spanning from 62 to 440 microns cross in long axis. Minor rim-ward decrease of Zr content was observed with no appreciable temperature decrease. Assuming that the rutiles grew at one stage during the peak metamorphism and that their Zr concentrations were independent of pressure, a cooling rate can be estimated for the target sample. By applying the Dodson (1973) formula for closure temperature in conjunction with the Cherniak et al. (2007) diffusion rates for Zr in rutile to the core of each grain, we derived a maximum possible cooling rate to allow for complete peak temperature memory loss: i.e., since the largest grain requires most diffusion to reset, we are able to limit the maximum possible cooling rate for all grains in the sample to 5.4 ± 15.6 °C/my. This value is comparable to estimates for the Central Dabie mid-T/UHP eclogite (e.g., Li et al., 2000). Li XP et al. (2004) CMP, 148, 443-470. Shi & Wang (2006) J. Met. Geol., 24, 803-822. Luvizotto et al. (2009) Chem. Geol., 3-4, 346-369. Ferry & Watson (2007) CMP, 154, 429-437. Dodson (1973) CMP, 40, 259-274. Cherniak et al. (2007) EPSL, 261, 267-279. Li SG et al. (2000) GCA, 64, 1077-1093.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014EL....10767005C','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014EL....10767005C"><span>Switching properties of SrRuO3/Pb(Zr0.4Ti0.6)O3/SrRuO3 capacitor grown on Cu-coated Si substrate measured at various temperatures</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Chen, J. H.; Liu, B. T.; Li, C. R.; Li, X. H.; Dai, X. H.; Guo, J. X.; Zhou, Y.; Wang, Y. L.; Zhao, Q. X.; Ma, L. X.</p> <p>2014-09-01</p> <p>SrRuO3(SRO)/Ni-Al/Cu/Ni-Al/SiO2/Si heterostructures annealed at various temperatures are found to remain intact after 750 \\circ\\text{C} annealing. Moreover, a SRO/Pb(Zr0.4Ti0.6)O3 (PZT)/SRO capacitor is grown on a Ni-Al/Cu/Ni-Al/SiO2/Si heterostructure, which is tested up to 100 \\circ\\text{C} to investigate the reliability of the memory capacitor. It is found that besides the good fatigue resistance and retention characteristic, the capacitor, measured at 5 V and room temperature, possesses a large remnant polarization of 25.0 μ \\text{C/cm}2 and a small coercive voltage of 0.83 V, respectively. Its dominant leakage current behavior satisfies the space-charge-limited conduction at various temperatures. Very clear interfaces can be observed from the cross-sectional images of transmission electron microscopy, indicating that the Ni-Al film can be used as a diffusion barrier layer for copper metallization as well as a conducting barrier layer between copper and oxide layer.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19940011814','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19940011814"><span>Experimental partitioning of Zr, Ti, and Nb between silicate liquid and a complex noble metal alloy and the partitioning of Ti between perovskite and platinum metal</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Jurewicz, Stephen R.; Jones, John H.</p> <p>1993-01-01</p> <p>El Goresy et al.'s observation of Nb, Zr, and Ta in refractory platinum metal nuggets (RPMN's) from Ca-Al-rich inclusions (CAI's) in the Allende meteorite led them to propose that these lithophile elements alloyed in the metallic state with noble metals in the early solar nebula. However, Grossman pointed out that the thermodynamic stability of Zr in the oxide phase is vastly greater than metallic Zr at estimated solar nebula conditions. Jones and Burnett suggested this discrepancy may be explained by the very non-ideal behavior of some lithophile transition elements in noble metal solutions and/or intermetallic compounds. Subsequently, Fegley and Kornacki used thermodynamic data taken from the literature to predict the stability of several of these intermetallic compounds at estimated solar nebula conditions. Palme and Schmitt and Treiman et al. conducted experiments to quantify the partitioning behavior of certain lithophile elements between silicate liquid and Pt-metal. Although their results were somewhat variable, they did suggest that Zr partition coefficients were too small to explain the observed 'percent' levels in some RPMN's. Palme and Schmitt also observed large partition coefficients for Nb and Ta. No intermetallic phases were identified. Following the work of Treiman et al., Jurewicz and Jones performed experiments to examine Zr, Nb, and Ti partitioning near solar nebula conditions. Their results showed that Zr, Nb, and Ti all have an affinity for the platinum metal, with Nb and Ti having a very strong preference for the metal. The intermetallic phases (Zr,Fe)Pt3, (Nb,Fe)Pt3, and (Ti,Fe)Pt3 were identified. Curiously, although both experiments and calculations indicate that Ti should partition strongly into Pt-metal (possibly as TiPt3), no Ti has ever been observed in any RPMN's. Fegley and Kornacki also noticed this discrepancy and hypothesized that the Ti was stabilized in perovskite which is a common phase in Allende CAI's.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2013JSSCh.199..326M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2013JSSCh.199..326M"><span>Structural investigation of α-LaZr2F11 by coupling X-ray powder diffraction, 19F solid state NMR and DFT calculations</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Martineau, Charlotte; Legein, Christophe; Body, Monique; Péron, Olivier; Boulard, Brigitte; Fayon, Franck</p> <p>2013-03-01</p> <p>α-LaZr2F11 has been synthesized by solid state reaction. Its crystal structure has been refined from X-ray powder diffraction data (space group no. 72 Ibam, a=7.785(1) Å, b=10.086(1) Å and c=11.102(1) Å). α-LaZr2F11 contains one La, one Zr and four F inequivalent crystallographic sites. F3 and F4 are shared between one ZrF73- polyhedron and one LaF85- polyhedron, while F1 and F2 bridge two ZrF73- polyhedra. 19F 1D MAS NMR spectra of α-LaZr2F11 are in agreement with the proposed structural model. Assignment of the 19F resonances to the corresponding crystallographic sites has been performed on the basis of both their relative intensities and their correlation patterns in a 19F 2D dipolar-based double-quantum recoupling MAS NMR spectrum. DFT calculations of the 19F chemical shielding tensors have been performed using the GIPAW method implemented in the NMR-CASTEP code, for the experimental structure and two PBE-DFT geometry optimized structures of α-LaZr2F11 (atomic position optimization and full geometry optimization with rescaling of the unit cell volume to the experimental value). Computations were done with and without using a modified La pseudopotential allowing the treatment of the 4f localized empty orbitals of La3+. A relatively nice agreement between the experimental 19F isotropic and anisotropic chemical shifts and the values calculated for the proposed structural model is obtained.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016NatSR...633576K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016NatSR...633576K"><span>A mixed solution-processed gate dielectric for zinc-tin oxide thin-film transistor and its MIS capacitance</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kim, Hunho; Kwack, Young-Jin; Yun, Eui-Jung; Choi, Woon-Seop</p> <p>2016-09-01</p> <p>Solution-processed gate dielectrics were fabricated with the combined ZrO2 and Al2O3 (ZAO) in the form of mixed and stacked types for oxide thin film transistors (TFTs). ZAO thin films prepared with double coatings for solid gate dielectrics were characterized by analytical tools. For the first time, the capacitance of the oxide semiconductor was extracted from the capacitance-voltage properties of the zinc-tin oxide (ZTO) TFTs with the combined ZAO dielectrics by using the proposed metal-insulator-semiconductor (MIS) structure model. The capacitance evolution of the semiconductor from the TFT model structure described well the threshold voltage shift observed in the ZTO TFT with the ZAO (1:2) gate dielectric. The electrical properties of the ZTO TFT with a ZAO (1:2) gate dielectric showed low voltage driving with a field effect mobility of 37.01 cm2/Vs, a threshold voltage of 2.00 V, an on-to-off current ratio of 1.46 × 105, and a subthreshold slope of 0.10 V/dec.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li class="active"><span>23</span></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li><a href="#" onclick='return showDiv("page_25");'>25</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_23 --> <div id="page_24" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li class="active"><span>24</span></li> <li><a href="#" onclick='return showDiv("page_25");'>25</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="461"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5027534','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5027534"><span>A mixed solution-processed gate dielectric for zinc-tin oxide thin-film transistor and its MIS capacitance</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Kim, Hunho; Kwack, Young-Jin; Yun, Eui-Jung; Choi, Woon-Seop</p> <p>2016-01-01</p> <p>Solution-processed gate dielectrics were fabricated with the combined ZrO2 and Al2O3 (ZAO) in the form of mixed and stacked types for oxide thin film transistors (TFTs). ZAO thin films prepared with double coatings for solid gate dielectrics were characterized by analytical tools. For the first time, the capacitance of the oxide semiconductor was extracted from the capacitance-voltage properties of the zinc-tin oxide (ZTO) TFTs with the combined ZAO dielectrics by using the proposed metal-insulator-semiconductor (MIS) structure model. The capacitance evolution of the semiconductor from the TFT model structure described well the threshold voltage shift observed in the ZTO TFT with the ZAO (1:2) gate dielectric. The electrical properties of the ZTO TFT with a ZAO (1:2) gate dielectric showed low voltage driving with a field effect mobility of 37.01 cm2/Vs, a threshold voltage of 2.00 V, an on-to-off current ratio of 1.46 × 105, and a subthreshold slope of 0.10 V/dec. PMID:27641430</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22590697-effective-work-function-engineering-tin-xo-la-zr-al-sio-sub-stack-structures','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22590697-effective-work-function-engineering-tin-xo-la-zr-al-sio-sub-stack-structures"><span>Effective work function engineering for a TiN/XO(X = La, Zr, Al)/SiO{sub 2} stack structures</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Lee, Dongjin, E-mail: dongjin0710.lee@samsung.com; Lee, Jieun; Jung, Kyoungho</p> <p></p> <p>In this study, we demonstrated that work function engineering is possible over a wide range (+200 mV to −430 mV) in a TiN/XO (X = La, Zr, or Al)/SiO{sub 2} stack structures. From ab initio simulations, we selected the optimal material for the work function engineering. The work function engineering mechanism was described by metal diffusion into the TiN film and silicate formation in the TiN/SiO{sub 2} interface. The metal doping and the silicate formation were confirmed by transmission electron microscopy and energy dispersive spectroscopy line profiling, respectively. In addition, the amount of doped metal in the TiN film depended on the thickness ofmore » the insertion layer XO. From the work function engineering technique, which can control a variety of threshold voltages (Vth), an improvement in transistors with different V{sub th} values in the TiN/XO/SiO{sub 2} stack structures is expected.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2004JMMM..278..299M','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2004JMMM..278..299M"><span>Structure and magnetic properties of amorphous and nanocrystalline Fe 40Co 40Cu 0.5Zr 9Al 2Si 4B 4.5 alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Mitra, A.; Kim, H.-Y.; Louzguine, D. V.; Nishiyama, N.; Shen, B.; Inoue, A.</p> <p>2004-07-01</p> <p>Crystallisation behaviour and magnetic properties of as-spun and annealed Fe 40Co 40Cu 0.5Zr 9Al 2Si 4B 4.5 alloy have been studied. The annealing was performed at 873 K for 15 min. XRD and TEM studies shows the formation of nanocrystalline α-(Fe,Co)(SiAl) particles with 7.5±2 nm in diameter dispersed in an amorphous matrix. The Curie temperature of the as-spun amorphous ribbon is 736 K. Saturation magnetisation of the annealed sample decreases at a rate of 0.5 emu/g/K in the measured temperature range of 300-1000 K. Excellent room temperature AC magnetic properties are achieved for the nanocrystalline sample. The low value of the imaginary part of the permeability and the high cut-off frequency (20 kHz) suggest that the eddy current contribution in the annealed materials is low. The coercivity of the annealed sample remains almost constant at 95 A/m up to the frequency of 20 kHz. High saturation magnetisation, high Curie temperature and excellent soft magnetic properties in the nanocrystalline state suggests that Fe 40Co 40Cu 0.5Zr 9Al 2Si 4B 4.5 alloy is a strong candidate for high temperature magnetic application.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/19222231','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/19222231"><span>Zirconocene-iridium hydrido complexes: arene carbon-hydrogen bond activation and formation of a planar square Zr2Ir2 complex.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Oishi, Masataka; Suzuki, Hiroharu</p> <p>2009-03-16</p> <p>New early-late heterobimetallic hydrides (L(2)ZrCl)(Cp*Ir)(mu-H)(3) (1; L = Cp derivative, Cp* = eta(5)-C(5)Me(5)) were synthesized from zirconocene derivatives (L(2)ZrCl(2)) and LiCp*IrH(3) via a salt elimination reaction and structurally characterized by NMR and X-ray analyses. Upon treatment of 1 with an alkyllithium reagent, hydride abstraction complex 4 underwent thermolytic ligand elimination at the Zr-Ir system to yield a novel planar square complex (L(2)Zr)(2)(Cp*Ir)(2)(mu(3)-H)(4) (2). When a labeling study of the reaction was conducted, it was found that the conversion of 1 to 2 involves rapid aromatic and benzylic C-H activation by a coordinatively unsaturated dinuclear complex (L(2)Zr)(Cp*Ir)(H)(2) (3).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22476010-formation-zro-sub-coating-mg3-wt-al1-wt-zn-alloy-via-plasma-electrolytic-oxidation-phase-structure-zirconia','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22476010-formation-zro-sub-coating-mg3-wt-al1-wt-zn-alloy-via-plasma-electrolytic-oxidation-phase-structure-zirconia"><span>Formation of ZrO{sub 2} in coating on Mg–3 wt.%Al–1 wt.%Zn alloy via plasma electrolytic oxidation: Phase and structure of zirconia</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Lee, Kang Min; Kim, Yeon Sung; Yang, Hae Woong</p> <p>2015-01-15</p> <p>An investigation of the coating structure formed on Mg–3 wt.%Al–1 wt.%Zn alloy sample subjected to plasma electrolytic oxidation was examined by field-emission transmission electron microscopy. The plasma electrolytic oxidation process was conducted in a phosphoric acid electrolyte containing K{sub 2}ZrF{sub 6} for 600 s. Microstructural observations showed that the coating consisting of MgO, MgF{sub 2}, and ZrO{sub 2} phases was divided into three distinctive parts, the barrier, intermediate, and outer layers. Nanocrystalline MgO and MgF{sub 2} compounds were observed mainly in the barrier layer of ~ 1 μm thick near to the substrate. From the intermediate to outer layers, variousmore » ZrO{sub 2} polymorphs appeared due to the effects of the plasma arcing temperature on the phase transition of ZrO{sub 2} compounds during the plasma electrolytic oxidation process. In the outer layer, MgO compound grew in the form of a dendrite-like structure surrounded by cubic ZrO{sub 2}. - Highlights: • The barrier layer containing MgO and MgF{sub 2} was observed near to the Mg substrate. • In the intermediate layer, m-, t-, and o-ZrO{sub 2} compounds were additionally detected. • The outer layer contained MgO with the dendrite-like structure surrounded by c-ZrO{sub 2}. • The grain sizes of compounds in oxide layer increased from barrier to outer layer.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016AGUFMDI41A2607T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016AGUFMDI41A2607T"><span>Extended HFSE systematics of Apollo samples - wrenching further Secrets from the Lunar Mantle</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Thiemens, M. M.; Sprung, P.; Munker, C.</p> <p>2016-12-01</p> <p>As Earth's intimate companion, the Moon provides a close extraterrestrial view on planetary differentiation. In turn, investigating chemical and isotopic compositions of lunar rocks for traces of a putative crystallizing Lunar Magma Ocean (LMO) provides a better understanding of the evolution and differentiation of infant planetary bodies.We expand on high-precision extended High Field Strength Element (HFSE) observations of Münker [1]. In detail, we investigate if the HFSE systematics of low- and high- Ti basalts, KREEPy basalts and breccias, soils, and ferroan anorthosites (FAN) are consistent with their formation from the LMO (FAN, KREEP) or mantle sources comprising mixtures of primary LMO products [2] (mare basalts). Of particular interest is the recently discovered dependence of HFSE partitioning on the Ti-concentration of co-existing melts [3] and that of W partitioning on oxygen fugacity [3,4].Our data form a positively correlated array in Zr/Hf vs. Nb/Ta space, similar to previous high-precision [1] but unlike lower-precision data. The HFSE systematics of different rock types from the Apollo missions mostly form distinct groups. High-Ti and some Apollo 12 low-Ti mare basalts form the lower end of the array, KREEPy samples its upper end. Low Zr/Nb in most high-Ti mare basalts and the globally highest Hf/W confirm involvement of Ti-rich-oxide-bearing cumulates in high-Ti formation [e.g., 1,2]. No global lunar trends exist for Hf/W vs. Zr/Nb. Overall, the composition of KREEPy samples agrees reasonably well with model KREEP-compositions assuming a LMO below IW-1 [1,4].Clearly distinct groupings observed for the various rock types and the lack of a global trend in Hf/W vs. Zr/Nb calls for melting of distinct ultramafic sources [1]. The HFSE systematics of Apollo rocks tend to support a LMO scenario, setting the stage for more detailed petrogenetic modeling. Initial modeling suggests that the lunar mantle must possess residual metal to reconcile the HFSE systematics of Apollo rocks within an LMO-scenario, providing an alternative explanation for the very low abundances of HSE in the lunar crust [5].[1] Münker, C. (2010) GCA 74, 7340-7361. [2] Snyder et al. (1992) GCA 56, 3809-3823. [3] Leitzke et al. (in press) Chem. Geol. [4] Fonseca et al. (2014) EPSL 404, 1-13. [5] Day & Walker (2015) EPSL 423, 114-124</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2015JNuM..459..114S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2015JNuM..459..114S"><span>Separation of actinides from irradiated An-Zr based fuel by electrorefining on solid aluminium cathodes in molten LiCl-KCl</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Souček, P.; Murakami, T.; Claux, B.; Meier, R.; Malmbeck, R.; Tsukada, T.; Glatz, J.-P.</p> <p>2015-04-01</p> <p>An electrorefining process for metallic spent nuclear fuel treatment is being investigated in ITU. Solid aluminium cathodes are used for homogeneous recovery of all actinides within the process carried out in molten LiCl-KCl eutectic salt at a temperature of 500 °C. As the selectivity, efficiency and performance of solid Al has been already shown using un-irradiated An-Zr alloy based test fuels, the present work was focused on laboratory-scale demonstration of the process using irradiated METAPHIX-1 fuel composed of U67-Pu19-Zr10-MA2-RE2 (wt.%, MA = Np, Am, Cm, RE = Nd, Ce, Gd, Y). Different electrorefining techniques, conditions and cathode geometries were used during the experiment yielding evaluation of separation factors, kinetic parameters of actinide-aluminium alloy formation, process efficiency and macro-structure characterisation of the deposits. The results confirmed an excellent separation and very high efficiency of the electrorefining process using solid Al cathodes.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017PMM...118..913K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017PMM...118..913K"><span>High-strain-rate superplasticity of the Al-Zn-Mg-Cu alloys with Fe and Ni additions</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Kotov, A. D.; Mikhaylovskaya, A. V.; Borisov, A. A.; Yakovtseva, O. A.; Portnoy, V. K.</p> <p>2017-09-01</p> <p>During high-strain-rate superplastic deformation, superplasticity indices, and the microstructure of two Al-Zn-Mg-Cu-Zr alloys with additions of nickel and iron, which contain equal volume fractions of eutectic particles of Al3Ni or Al9FeNi, have been compared. It has been shown that the alloys exhibit superplasticity with 300-800% elongations at the strain rates of 1 × 10-2-1 × 10-1 s-1. The differences in the kinetics of alloy recrystallization in the course of heating and deformation at different temperatures and rates of the superplastic deformation, which are related to the various parameters of the particles of the eutectic phases, have been found. At strain rates higher than 4 × 10-2, in the alloy with Fe and Ni, a partially nonrecrystallized structure is retained up to material failure and, in the alloy with Ni, a completely recrystallized structure is formed at rates of up to 1 × 10-1 s-1.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1246769-resolving-grain-boundary-lattice-impedance-hot-pressed-li7la3zr2o12-garnet-electrolytes','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1246769-resolving-grain-boundary-lattice-impedance-hot-pressed-li7la3zr2o12-garnet-electrolytes"><span>Resolving the grain boundary and lattice impedance of hot-pressed Li 7La 3Zr 2O 12 garnet electrolytes</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Tenhaeff, Wyatt E.; Wang, Yangyang; Sokolov, Alexei P.; ...</p> <p>2013-07-24</p> <p>Here, the cubic-stabilized garnet solid electrolyte with a nominal composition of Li 6.28Al 0.24La 3Zr 2O 12 is thoroughly characterized by impedance spectroscopy. By varying the frequency of the applied AC signal over 11 orders of magnitude for characterizations from –100 to +60 °C, the relative contributions of grain and grain boundary conduction are unambiguously resolved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2003JSSCh.175..170L','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2003JSSCh.175..170L"><span>Phase equilibria, crystal structures, and dielectric anomaly in the BaZrO 3-CaZrO 3 system</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Levin, Igor; Amos, Tammy G.; Bell, Steven M.; Farber, Leon; Vanderah, Terrell A.; Roth, Robert S.; Toby, Brian H.</p> <p>2003-11-01</p> <p>Phase equilibria in the (1- x)BaZrO 3- xCaZrO 3 system were analyzed using a combination of X-ray and neutron powder diffraction, and transmission electron microscopy. The proposed phase diagram features two extended two-phase fields containing mixtures of a Ba-rich cubic phase and a tetragonal, or orthorhombic Ca-rich phase, all having perovskite-related structures. The symmetry differences in the Ca-rich phases are caused by different tilting patterns of the [ZrO 6] octahedra. In specimens quenched from 1650°C, CaZrO 3 dissolves only a few percent of Ba, whereas the solubility of Ca in BaZrO 3 is approximately 30 at% . The BaZrO 3-CaZrO 3 system features at least two tilting phase transitions, Pm3 m→ I4/ mcm and I4/ mcm→ Pbnm. Rietveld refinements of the Ba 0.8Ca 0.2ZrO 3 structure using variable-temperature neutron powder diffraction data confirmed that the Pm3 m→ I4/ mcm transition corresponds to a rotation of octahedra about one of the cubic axes; successive octahedra along this axis rotate in opposite directions. In situ variable-temperature electron diffraction studies indicated that the transition temperature increases with increasing Ca-substitution on the A-sites, from approximately -120°C at 5 at% Ca to 225°C at 20 at% Ca. Dielectric measurements revealed that the permittivity increases monotonically from 36 for BaZrO 3 to 53 for Ba 0.9Ca 0.1ZrO 3, and then decreases to 50 for Ba 0.8Ca 0.2ZrO 3. This later specimen was the Ca-richest composition for which pellets could be quenched from the single-phase cubic field with presently available equipment. Strongly non-monotonic behavior was also observed for the temperature coefficient of resonant frequency; however, in this case, the maximum occurred at a lower Ca concentration, 0.05⩽ x⩽0.1. The non-linear behavior of the dielectric properties was attributed to two competing structural effects: a positive effect associated with substitution of relatively small Ca cations on the A-sites, resulting in stretched Ca-O bonds, and a negative effect, related to the distortion of the A-site environment (bond strain relaxation) upon octahedral tilting.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/20020024444','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/20020024444"><span>Calculation of Phase Equilibria in the Y2O3-Yb2O3-ZrO2 System</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Jacobson, Nathan S.; Liu, Zi-Kui; Kaufman, Larry; Zhang, Fan</p> <p>2001-01-01</p> <p>Rare earth oxide stabilized zirconias find a wide range of applications. An understanding of phase equilibria is essential to all applications. In this study, the available phase boundary data and thermodynamic data is collected and assessed. Calphad-type databases are developed to completely describe the Y2O3-ZrO2, Yb2O3-ZrO2, and Y2O3-Yb2O3 systems. The oxide units are treated as components and regular and subregular solution models are used. The resultant calculated phase diagrams show good agreement with the experimental data. Then the binaries are combined to form the database for the Y2O3-Yb2O3-ZrO2 psuedo-ternary.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28140410','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28140410"><span>Investigations on Zr incorporation into Li3V2(PO4)3/C cathode materials for lithium ion batteries.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Sun, Hua-Bin; Zhou, Ying-Xian; Zhang, Lu-Lu; Yang, Xue-Lin; Cao, Xing-Zhong; Arave, Hanu; Fang, Hui; Liang, Gan</p> <p>2017-02-15</p> <p>Li 3 V 2 (PO 4 ) 3 /C (LVP/C) composites have been modified by different ways of Zr-incorporation via ultrasonic-assisted solid-state reaction. The difference in the effect on the physicochemical properties and the electrochemical performance of LVP between Zr-doping and ZrO 2 -coating has also been investigated. Compared with pristine LVP/C, Zr-incorporated LVP/C composites exhibit better rate capability and cycling stability. In particular, the LVP/C-Zr electrode delivers the highest initial capacity of 150.4 mA h g -1 at 10C with a capacity retention ratio of 88.4% after 100 cycles. The enhanced electrochemical performance of Zr-incorporated LVP/C samples (LVZrP/C and LVP/C-Zr) is attributed to the increased ionic conductivity and electronic conductivity, the improved stability of the LVP structure, and the decreased charge-transfer resistance.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/pages/biblio/1394834-ferroelectricity-pb1+zro3-thin-films','SCIGOV-DOEP'); return false;" href="https://www.osti.gov/pages/biblio/1394834-ferroelectricity-pb1+zro3-thin-films"><span>Ferroelectricity in Pb 1+δZrO 3 Thin Films</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/pages">DOE PAGES</a></p> <p>Gao, Ran; Reyes-Lillo, Sebastian E.; Xu, Ruijuan; ...</p> <p>2017-07-16</p> <p>Antiferroelectric PbZrO 3 is being considered for a wide range of applications where the competition between centrosymmetric and noncentrosymmetric phases is important to the response. Here, we focus on the epitaxial growth of PbZrO 3 thin films and understanding the chemistry structure coupling in Pb 1+δ ZrO 3 (δ = 0, 0.1, 0.2). High-quality, single-phase Pb 1+δZrO 3 films are synthesized via pulsed-laser deposition. Though no significant lattice parameter change is observed in X-ray studies, electrical characterization reveals that while the PbZrO 3 and Pb 1.1ZrO 3 heterostructures remain intrinsically antiferroelectric, the Pb 1.2ZrO 3 heterostructures exhibit a hysteresis loopmore » indicative of ferroelectric response. Furthermore X-ray scattering studies reveal strong quarter-order diffraction peaks in PbZrO 3 and Pb 1.1ZrO 3 heterostructures indicative of antiferroelectricity, while no such peaks are observed for Pb 1.2ZrO 3 heterostructures. Density functional theory calculations suggest the large cation nonstoichiometry is accommodated by incorporation of antisite Pb-Zr defects, which drive the Pb 1.2ZrO 3 heterostructures to a ferroelectric phase with R3c symmetry. In the end, stabilization of metastable phases in materials via chemical nonstoichiometry and defect engineering enables a novel route to manipulate the energy of the ground state of materials and the corresponding material properties.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018AIPC.1952b0069T','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018AIPC.1952b0069T"><span>A review on mechanical properties of magnesium based nano composites</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Tarafder, Nilanjan; Prasad, M. Lakshmi Vara</p> <p>2018-04-01</p> <p>A review was done on Magnesium (Mg) based composite materials reinforced with different nano particles such as TiO2, Cu, Y2O3, SiC, ZrO2 and Al2O3. TiO2 and Al2O3 nanoparticles were synthesised by melt deposition process. Cu, Y2O3, SiC and ZrO2 nanoparticles were synthesised by powder metallurgy process. Composite microstructural characteristics shows that the nano-size reinforcements are uniformly distributed in the composite matrix and also minimum porosity with solid interfacial integrity. The mechanical properties showed yield strength improvement by 0.2 percentage and Ultimate tensile strength (UTS) was also improved for all the nano-particles. But UTS was adversely affected with TiO2 reinforcement while ductility was increased. With Cu reinforcement elastic modulus, hardness and fracture resistance increased and improved the co-efficient of thermal expansion (CTE) of Mg based matrix. By Y2O3 reinforcement hardness, fracture resistance was improved and ductility reached maximum by 0.22 volume percentage of Y2O3 and decreased with succeeding increase in Y2O3 reinforcement. The readings exposed that mechanical properties were gathered from the composite comprising 2.0 weight percentage of Y2O3. Ductility and fracture resistance increased with ZrO2 reinforcement in Mg matrix. Using Al2O3 as reinforcement in Mg composite matrix hardness, elastic modulus and ductility was increased but porosity reduced with well interfacial integrity. Dissipation of energy in the form of damping capacity was resolved by classical vibration theory. The result showed that an increasing up to 0.4 volume percentage alumina content increases the damping capacity up to 34 percent. In another sample, addition of 2 weight percentage nano-Al2O3 particles showed big possibility in reducing CTE from 27.9-25.9×10-6 K-1 in Magnesium, tensile and yield strength amplified by 40MPa. In another test, Mg/1.1Al2O3 nanocomposite was manufactured by solidification process followed by hot extrusion. Results showed that strengthening effect was maintained up to 150°C and fracture characteristics of Mg composite transformed from brittle to mixed ductile mode and fully ductile in attendance of nano-Al2O3 particulates.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JTST...26..764G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JTST...26..764G"><span>Effect of Nano-Si3N4 Additives and Plasma Treatment on the Dry Sliding Wear Behavior of Plasma Sprayed Al2O3-8YSZ Ceramic Coatings</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gou, Junfeng; Zhang, Jian; Zhang, Qiwen; Wang, You; Wang, Chaohui</p> <p>2017-04-01</p> <p>In this paper, the effect of nano-Si3N4 additives and plasma treatment on the wear behavior of Al2O3-8YSZ ceramic coatings was studied. Nano-Al2O3, nano-8YSZ (8 wt.% Y2O3-stabilized ZrO2) and nano-Si3N4 powders were used as raw materials to fabricate four types of sprayable feedstocks. Plasma treatment was used to improve the properties of the feedstocks. The surface morphologies of the ceramic coatings were observed. The mechanical properties of the ceramic coatings were measured. The dry sliding wear behavior of the Al2O3-8YSZ coatings with and without Si3N4 additives was studied. Nano-Si3N4 additives and plasma treatment can improve the morphologies of the coatings by prohibiting the initiation of micro-cracks and reducing the unmelted particles. The hardness and bonding strength of AZSP (Al2O3-18 wt.% 8YSZ-10 wt.% Si3N4-plasma treatment) coating increased by 79.2 and 44% compared to those of AZ (Al2O3-20 wt.% 8YSZ) coating. The porosity of AZSP coating decreased by 85.4% compared to that of AZ coating. The wear test results showed that the addition of nano-Si3N4 and plasma treatment could improve the wear resistance of Al2O3-8YSZ coatings.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/16465696','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/16465696"><span>Capabilities of laser ablation mass spectrometry in the differentiation of natural and artificial opal gemstones.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Erel, Eric; Aubriet, Frédéric; Finqueneisel, Gisèle; Muller, Jean-François</p> <p>2003-12-01</p> <p>The potentialities of laser ablation coupled to ion cyclotron resonance Fourier transform mass spectrometry are evaluated to distinguish natural and artificial opals. The detection of specific species in both ion detection modes leads us to obtain relevant criteria of differentiation. In positive ions, species including hafnium and large amounts of zirconium atoms are found to be specific for artificial opal. In contrast, aluminum, titanium, iron, and rubidium are systematically detected in the study of natural opals. Moreover, some ions allow us to distinguish between natural opal from Australia and from Mexico. Australian gemstone includes specifically strontium, cesium, and barium. Moreover, it is also found that the yield of (H2O)0-1(SiO2)nX- (X- = O-, OH-, KO-, NaO-, SiO2-, AlO1-2-, FeO2-, ZrO2-, and ZrO3-) and (Al2O3)(SiO2)nAlO2- ions depends on the composition of the sample when opals are laser ablated. Ions, which include zirconium oxide species, are characteristics of artificial gem. In contrast, natural opals lead us, after laser ablation, to the production of ions including H2O, Al2O3 motifs and AlO-, KO-, NaO-, and FeO2- species.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29677801','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29677801"><span>Activity Tests of Macro-Meso Porous Catalysts over Metal Foam Plate for Steam Reforming of Bio-Ethanol.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Park, No-Kuk; Jeong, Yong Han; Kang, Misook; Lee, Tae Jin</p> <p>2018-09-01</p> <p>The catalytic activity of a macro-mesoporous catalyst coated on a metal foam plate in the reforming of bio-ethanol to synthesis gas was investigated. The catalysts were prepared by coating a support with a noble metal and transition metal. The catalytic activity for the production of synthetic gas by the reforming of bio-ethanol was compared according to the support material, reaction temperature, and steam/carbon ratio. The catalysts coated on the metal foams were prepared using a template method, in which macro-pores and meso-pores were formed by mixing polymer beads. In particular, the thermodynamic equilibrium composition of bio-ethanol reforming with the reaction temperature and steam/carbon ratio to produce synthetic gas was examined using the HSC (Enthalpy-Entropy-Heat capacity) chemistry program in this study. The composition of hydrogen and carbon monoxide in the reformate gas produced by steam reforming over the Rh/Ni-Ce-Zr/Al2O3-based pellet type catalysts and metal foam catalysts that had been coated with the Rh/Al-Ce-Zr-based catalysts was investigated by experimental activity tests. The activity of the metal foam catalyst was higher than that of the pellet type catalyst.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22496158-porosity-mechanical-properties-zirconium-ceramics','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22496158-porosity-mechanical-properties-zirconium-ceramics"><span>Porosity and mechanical properties of zirconium ceramics</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Buyakova, S., E-mail: sbuyakova@ispms.tsc.ru; Kulkov, S.; Tomsk Polytechnic University</p> <p>2015-11-17</p> <p>Has been studied a porous ceramics obtained from ultra-fine powders. Porous ceramic ZrO{sub 2}(MgO), ZrO{sub 2}(Y{sub 2}O{sub 3}) powder was prepared by pressing and subsequent sintering of compacts homologous temperatures ranging from 0.63 to 0.56 during the isothermal holding duration of 1 to 5 hours. The porosity of ceramic samples was from 15 to 80%. The structure of the ceramic materials produced from plasma-sprayed ZrO{sub 2} powder was represented as a system of cell and rod structure elements. Cellular structure formed by stacking hollow powder particles can be easily seen at the images of fracture surfaces of obtained ceramics. Theremore » were three types of pores in ceramics: large cellular hollow spaces, small interparticle pores which are not filled with powder particles and the smallest pores in the shells of cells. The cells generally did not have regular shapes. The size of the interior of the cells many times exceeded the thickness of the walls which was a single-layer packing of ZrO{sub 2} grains. A distinctive feature of all deformation diagrams obtained in the experiment was their nonlinearity at low deformations which was described by the parabolic law. It was shown that the observed nonlinear elasticity for low deformation on deformation diagrams is due to mechanical instability of the cellular elements in the ceramic carcass.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016PMM...117.1163Z','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016PMM...117.1163Z"><span>Evolution of the structure and mechanical properties of sheets of the Al-4.7Mg-0.32Mn-0.21Sc-0.09Zr alloy due to deformation accumulated upon rolling</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Zolotorevskiy, V. S.; Dobrojinskaja, R. I.; Cheverikin, V. V.; Khamnagdaeva, E. A.; Pozdniakov, A. V.; Levchenko, V. S.; Besogonova, E. S.</p> <p>2016-11-01</p> <p>The mechanical properties and microstructure of sheets of an Al-4.7Mg-0.32Mn-0.21Sc-0.09Zr alloy deformed and annealed after rolling have been investigated. The total accumulated true strain was ɛf = 3.33-5.63, and the true strain at room temperature and at 200 °C was ɛc = 0.25-2.3. The strength properties of the sheets (yield stress σ0.2 = 495 MPa and ultimate tensile strength σu = 525 MPa) in the deformed state were greater than those after equal-channel angular pressing (ECAP) deformation. The mechanical properties of the deformed sheets after annealing depended on the size of subgrains inside the deformed grains bands with high-angle grain boundaries (HABs). With the increase in the annealing temperature from 150 to 300°C, the subgrain size increased from 80 to 300 nm. The relative elongation δ in the as-cast state and after annealing at 200-250°C (δ = 40-50%) was higher than that after annealing at 300-370°C (δ = 24-29%).</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/27642769','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/27642769"><span>About the Compatibility between High Voltage Spinel Cathode Materials and Solid Oxide Electrolytes as a Function of Temperature.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Miara, Lincoln; Windmüller, Anna; Tsai, Chih-Long; Richards, William D; Ma, Qianli; Uhlenbruck, Sven; Guillon, Olivier; Ceder, Gerbrand</p> <p>2016-10-12</p> <p>The reactivity of mixtures of high voltage spinel cathode materials Li 2 NiMn 3 O 8 , Li 2 FeMn 3 O 8 , and LiCoMnO 4 cosintered with Li 1.5 Al 0.5 Ti 1.5 (PO 4 ) 3 and Li 6.6 La 3 Zr 1.6 Ta 0.4 O 12 electrolytes is studied by thermal analysis using X-ray-diffraction and differential thermoanalysis and thermogravimetry coupled with mass spectrometry. The results are compared with predicted decomposition reactions from first-principles calculations. Decomposition of the mixtures begins at 600 °C, significantly lower than the decomposition temperature of any component, especially the electrolytes. For the cathode + Li 6.6 La 3 Zr 1.6 Ta 0.4 O 12 mixtures, lithium and oxygen from the electrolyte react with the cathodes to form highly stable Li 2 MnO 3 and then decompose to form stable and often insulating phases such as La 2 Zr 2 O 7 , La 2 O 3 , La 3 TaO 7 , TiO 2 , and LaMnO 3 which are likely to increase the interfacial impedance of a cathode composite. The decomposition reactions are identified with high fidelity by first-principles calculations. For the cathode + Li 1.5 Al 0.5 Ti 1.5 (PO 4 ) 3 mixtures, the Mn tends to oxidize to MnO 2 or Mn 2 O 3 , supplying lithium to the electrolyte for the formation of Li 3 PO 4 and metal phosphates such as AlPO 4 and LiMPO 4 (M = Mn, Ni). The results indicate that high temperature cosintering to form dense cathode composites between spinel cathodes and oxide electrolytes will produce high impedance interfacial products, complicating solid state battery manufacturing.</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li class="active"><span>24</span></li> <li><a href="#" onclick='return showDiv("page_25");'>25</a></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_24 --> <div id="page_25" class="hiddenDiv"> <div class="row"> <div class="col-sm-12"> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li class="active"><span>25</span></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div> </div> <div class="row"> <div class="col-sm-12"> <ol class="result-class" start="481"> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5516178','PMC'); return false;" href="https://www.pubmedcentral.nih.gov/articlerender.fcgi?tool=pmcentrez&artid=5516178"><span>Spray‐Dried Sodium Zirconate: A Rapid Absorption Powder for CO2 Capture with Enhanced Cyclic Stability</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pmc">PubMed Central</a></p> <p>Bamiduro, Faith; Ji, Guozhao; Brown, Andy P.; Dupont, Valerie A.</p> <p>2017-01-01</p> <p>Abstract Improved powders for capturing CO2 at high temperatures are required for H2 production using sorption‐enhanced steam reforming. Here, we examine the relationship between particle structure and carbonation rate for two types of Na2ZrO3 powders. Hollow spray‐dried microgranules with a wall thickness of 100–300 nm corresponding to the dimensions of the primary acetate‐derived particles gave about 75 wt % theoretical CO2 conversion after a process‐relevant 5 min exposure to 15 vol % CO2. A conventional powder prepared by solid‐state reaction carbonated more slowly, achieving only 50 % conversion owing to a greater proportion of the reaction requiring bulk diffusion through the densely agglomerated particles. The hollow granular structure of the spray‐dried powder was retained postcarbonation but chemical segregation resulted in islands of an amorphous Na‐rich phase (Na2CO3) within a crystalline ZrO2 particle matrix. Despite this phase separation, the reverse reaction to re‐form Na2ZrO3 could be achieved by heating each powder to 900 °C in N2 (no dwell time). This resulted in a very stable multicycle performance in 40 cycle tests using thermogravimetric analysis for both powders. Kinetic analysis of thermogravimetric data showed the carbonation process fits an Avrami–Erofeyev 2 D nucleation and nuclei growth model, consistent with microstructural evidence of a surface‐driven transformation. Thus, we demonstrate that spray drying is a viable processing route to enhance the carbon capture performance of Na2ZrO3 powder. PMID:28371521</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/26373151','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/26373151"><span>Synthesis of Copper-Based Nanostructured Catalysts on SiO2-Al2O3, SiO2-TiO2, and SiO2-ZrO2 Supports for NO Reduction.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Namkhang, Pornpan; Kongkachuichay, Paisan</p> <p>2015-07-01</p> <p>The selective catalytic reduction of NO over a series of Cu-based catalysts supported on modified silica including SiO2-Al2O3, SiO2-TiO2, and SiO2-ZrO2 prepared via a sol-gel process and a flame spray pyrolysis (FSP) was studied. The prepared catalysts were characterized by means of TEM, XRD, XRF, TPR, and nitrogen physisorption measurement techniques, to determine particle diameter, morphology, crystallinity, phase composition, copper reducibility, surface area, and pore size of catalysts. The particles obtained from sol-gel method were almost spherical while the particles obtained from the FSP were clearly spherical and non-porous nanosized particles. The effects of Si:Al, Si:Ti, and Si:Zr molar ratio of precursor were identified as the domain for different crystalline phase of materials. It was clearly seen that a high SiO2 content inhibited the crystallization of materials. The BET surface area of catalysts obtained from sol-gel method was higher than that from the FSP and it shows that surface area increased with increasing SiO2 molar ratio due to high surface area from SiO2. The catalyst performances were tested for the selective catalytic reduction of NO with H2. It was found that the catalyst prepared over 7 wt% Cu on Si02-Al2O3 support was the most active compared with the others which converted NO as more than 70%. Moreover, the excess copper decreased the performance of NO reduction, due to the formation of CuO agglomeration covered on the porous silica as well as the alumina surface, preventing the direct contact of CO2 and AL2O3.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1134776','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1134776"><span>SEM in situ MiniCantilever Beam Bending of U-10Mo/Zr/Al Fuel Elements</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Mook, William; Baldwin, Jon K.; Martinez, Ricardo M.</p> <p>2014-06-16</p> <p>In this work, the fracture behavior of Al/Zr and Zr/dU-10Mo interfaces was measured via the minicantilever bend technique. The energy dissipation rates were found to be approximately 3.7-5 mj/mm 2 and 5.9 mj/mm 2 for each interface, respectively. It was found that in order to test the Zr/U-10Mo interface, location of the hinge of the cantilever was a key parameter. While this test could be adapted to hot cell use through careful alignment fixturing and measurement of crack lengths with an optical microscope (as opposed to SEM, which was used here out of convenience), machining of the cantilevers via MiniMillmore » in such a way as to locate the interfaces at the cantilever hinge, as well as proper placement of a femtosecond laser notch will continue to be key challenges in a hot cell environment.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017AIPC.1793j0031W','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017AIPC.1793j0031W"><span>Effects of chemical composition and test conditions on the dynamic tensile response of Zr-based metallic glasses</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Wang, F.; Laws, K.; Martinez, D.; Trujillo, C. P.; Brown, A. D.; Cerreta, E. K.; Hazell, P. J.; Ferry, M.; Quadir, M. Z.; Jiang, J.; Escobedo, J. P.</p> <p>2017-01-01</p> <p>The effects of impact velocity and temperature on the dynamic mechanical behavior of two bulk metallic (BMG) alloys with slightly different elemental compositions (Zr55Cu30Ni5Al30 and Zr46Cu38Ag8Al38) have been investigated. Bullet-shaped samples were accelerated by a gas gun to speeds in the 400˜600m/s range and tested at both room temperature and 250°C. The samples impacted steel extrusion dies which subjected the bullets to high strains at relatively high strain-rates. The extruded fragments were subsequently soft recovered by using low density foams and examined by means of optical/scanning electron microscopy and differential scanning calorimetry. It was found that shear banding was the dictating mechanism responsible for the fracture of all BMGs. At room temperature, the Zr55Cu30Ni5Al30 alloy exhibited a higher resistance to fragmentation than the Zr46Cu38Ag8Al38 alloy. At 250°C, significant melting was observed in the recovered fragments of both alloys, which indicates that the BMG glassy structure undergoes a melting process and deformation likely occurs homogeneously.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017ApJ...848...98Y','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017ApJ...848...98Y"><span>The 95Zr(n, γ)96Zr Cross Section from the Surrogate Ratio Method and Its Effect on s-process Nucleosynthesis</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Yan, S. Q.; Li, Z. H.; Wang, Y. B.; Nishio, K.; Lugaro, M.; Karakas, A. I.; Makii, H.; Mohr, P.; Su, J.; Li, Y. J.; Nishinaka, I.; Hirose, K.; Han, Y. L.; Orlandi, R.; Shen, Y. P.; Guo, B.; Zeng, S.; Lian, G.; Chen, Y. S.; Liu, W. P.</p> <p>2017-10-01</p> <p>The 95Zr(n, γ)96Zr reaction cross section is crucial in the modeling of s-process nucleosynthesis in asymptotic giant branch stars because it controls the operation of the branching point at the unstable 95Zr and the subsequent production of 96Zr. We have carried out the measurement of the 94Zr(18O, 16O) and 90Zr(18O, 16O) reactions and obtained the γ-decay probability ratio of 96Zr* and 92Zr* to determine the 95Zr(n, γ)96Zr reaction cross sections with the surrogate ratio method. Our deduced Maxwellian-averaged cross section of 66 ± 16 mb at 30 keV is close to the value recommended by Bao et al., but 30% and more than a factor of two larger than the values proposed by Toukan & Käppeler and Lugaro et al., respectively, and routinely used in s-process models. We tested the new rate in stellar models with masses between 2 and 6 M ⊙ and metallicities of 0.014 and 0.03. The largest changes—up to 80% variations in 96Zr—are seen in models of mass 3–4 M ⊙, where the 22Ne neutron source is mildly activated. The new rate can still provide a match to data from meteoritic stardust silicon carbide grains, provided that the maximum mass of the parent stars is below 4 M ⊙, for a metallicity of 0.03.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2016ApPhA.122..992U','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2016ApPhA.122..992U"><span>Investigation of ZrO x /ZrC-ZrN/Zr thin-film structural evolution and their degradation using X-ray diffraction and Raman spectrometry</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Usmani, B.; Vijay, V.; Chhibber, R.; Dixit, A.</p> <p>2016-11-01</p> <p>The thin-film structures of DC/FR magnetron-sputtered ZrO x /ZrC-ZrN/Zr tandem solar-selective coatings are investigated using X-ray diffraction and room-temperature Raman spectroscopic measurements. These studies suggest that the major contribution is coming from h-ZrN0.28, c-ZrC, h-Zr3C2 crystallographic phases in ZrN-ZrC absorber layer, in conjunction with mixed ZrO x crystallographic phases. The change in structure for thermally annealed samples has been examined and observed that cubic and hexagonal ZrO x phase converted partially into tetragonal and monoclinic ZrO x phases, whereas hexagonal and cubic ZrN phases, from absorber layer, have not been observed for these thermally treated samples in air. These studies suggest that thermal treatment may lead to the loss of ZrN phase in absorber, degrading the thermal response for the desired wavelength range in open ambient conditions in contrast to vacuum conditions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22443509-pressure-induced-phase-transformations-nazr-sub-po-sub-sub-studied-ray-diffraction-raman-spectroscopy','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22443509-pressure-induced-phase-transformations-nazr-sub-po-sub-sub-studied-ray-diffraction-raman-spectroscopy"><span>Pressure induced phase transformations in NaZr{sub 2}(PO{sub 4}){sub 3} studied by X-ray diffraction and Raman spectroscopy</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Kamali, K.; Ravindran, T.R., E-mail: trr@igcar.gov.in; Chandra Shekar, N.V.</p> <p>2015-01-15</p> <p>Raman spectroscopic and x-ray diffraction measurements on NaZr{sub 2}(PO{sub 4}){sub 3} were carried out up to 30 GPa at close intervals of pressure, revealing two structural phase transformations around 5 and 6.6 GPa. The second phase at 5.4 GPa is indexed to R3 space group similar to that of RbTi{sub 2}(PO{sub 4}){sub 3}. Bulk modulus decreases abruptly from 53 GPa (B′=4) to 36 GPa (B′=4) in the second phase above 5 GPa. The structure of the phase III at 8.2 GPa is indexed as orthorhombic similar to the case of high temperature phase of monoclinic LiZr{sub 2}(PO{sub 4}){sub 3}. Bulkmore » modulus of this phase III is found to be 65 GPa (B′=4), which is higher than that of the ambient phase. In high pressure Raman studies, modes corresponding to 72 and 112 cm{sup −1} soften in the ambient phase whereas around 5 GPa, the ones at 60, 105, 125 and 190 cm{sup −1} soften with pressure contributing negatively to overall thermal expansion. - Graphical abstract: High pressure study of NaZr{sub 2}(PO{sub 4}){sub 3} shows a reversible phase transition from R-3c to R3 structure at 5 GPa accompanied by an increase in compressibility signaling a polyhedral tilt transition. - Highlights: • NaZr{sub 2}(PO{sub 4}){sub 3} undergoes two reversible phase transitions at 5 and 6.7 GPa. • The transition at 5 is from rhombohedral R-3c to R3 structure. • Bulk modulus of NaZr{sub 2}(PO{sub 4}){sub 3} is lower than that for the isostructural RbTi{sub 2}(PO{sub 4}){sub 3.} • Compressibility increases with substitution of a smaller cation (Na). • Zr-translational and PO{sub 4} librational modes contribute to phase transition.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/28535952','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/28535952"><span>The effects of different opacifiers on the translucency of experimental dental composite resins.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Haas, Karine; Azhar, Gulelala; Wood, Duncan J; Moharamzadeh, Keyvan; van Noort, Richard</p> <p>2017-08-01</p> <p>The aim of this study was to evaluate the effects of different opacifiers on the translucency of experimental dental composite-resins. Three metal oxides that are used as opacifiers were tested in this study: titanium oxide (TiO 2 ), aluminium oxide (Al 2 O 3 ) and zirconium oxide (ZrO 2 ). Experimental composite-resins were fabricated containing 25wt.% urethane dimethacrylate (UDMA)-based resin matrix and 75% total filler including different concentrations of metal oxides (0, 0.25, 0.5, 0.75 and 1wt.%) blended into silane treated barium-silicate filler. The specimens (15.5mm diameter and 1mm thickness) were light-cured and tested in the transmittance mode using a UV/VIS spectrophotometer at wavelengths from 380 to 700nm under a standard illuminant D65. The color differences (ΔE* ab) between different concentrations of opacifiers were also measured in transmittance mode based on their Lab values. Statistical analysis by ANOVA and Tukey's test showed a significant decrease (p<0.05) in light transmittance with the addition of opacifiers to the experimental composite-resins. There was a linear correlation between different concentrations of TiO 2 and Al 2 O 3 and total transmittance. Total transmittance was also found to be wavelength dependent. The color differences for the concentrations of 0-1wt.% of the opacifiers were above 1 ΔE* unit, with Al 2 O 3 showing the smallest color shift. The type and the amount of the opacifiers used in this study had a significant effect on the translucency of the experimental UDMA-based dental composite resins. The most effective opacifier was TiO 2 , followed by ZrO 2 and Al 2 O 3 in decreasing order, respectively. Copyright © 2017 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2014ApPhL.105b2903K','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2014ApPhL.105b2903K"><span>The effects of strain relaxation on the dielectric properties of epitaxial ferroelectric Pb(Zr0.2Ti0.8)TiO3 thin films</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Khan, Asif Islam; Yu, Pu; Trassin, Morgan; Lee, Michelle J.; You, Long; Salahuddin, Sayeef</p> <p>2014-07-01</p> <p>We study the effects of strain relaxation on the dielectric properties of epitaxial 40 nm Pb(Zr0.2Ti0.8)TiO3 (PZT) films. A significant increase in the defect and dislocation density due to strain relaxation is observed in PZT films with tetragonality c/a < 1.07 grown on SrTiO3 (001) substrates, which results in significant frequency dispersion of the dielectric constant and strong Rayleigh type behavior in those samples. This combined structural-electrical study provides a framework for investigating strain relaxation in thin films and can provide useful insights into the mechanisms of fatigue in ferroelectric materials.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://hdl.handle.net/2060/19720025023','NASA-TRS'); return false;" href="http://hdl.handle.net/2060/19720025023"><span>Structure of zirconium-93 and zirconium-91 as shown by the reactions Zr-92(d,p)Zr-93 and Zr-92(d,t)Zr-91</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://ntrs.nasa.gov/search.jsp">NASA Technical Reports Server (NTRS)</a></p> <p>Baron, N.; Leonard, R. F.; Stewart, W. M.; Fink, C. L.; Christensen, P. R.; Nickles, J.; Thorsteinsen, T. F.</p> <p>1972-01-01</p> <p>Deuterons of 13-MeV incident energy were scattered from Zr-92(d,p)Zr-93. The Zr-92(d,p)Zr-93 data analysis resulted in the location of 47 levels up to an excitation energy of 4.84 MeV, and the spins of 43 of these levels were identified. Essentially all the strength of the 2d5/2, 3s1/2, 2d3/2, and 1g7/2 shells was observed; and the excitation energy of their centroids was computed to be 0.00, 1.21, 2.23, and 2.37 MeV, respectively. Also, 43 percent of the 1h11/2 strength, 21 percent of the 2f7/2 strength, and 3 percent of the 3p3/2 strength were observed. In addition, the Zr-92(d,t)Zr-91 data analysis resulted in the location of 26 levels up to an excitation energy of 4.01 MeV, and the spins of 21 of these levels were identified. Most of the expected strength of the 2d5/2 and 1g9/2 shells was obtained, and the excitation energy of their centroids was computed to be 0.31 and 3.19 MeV, respectively. In addition, six l=1 states are populated belonging to either the 2p1/2 or 2p3/2 shells.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/29753260','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/29753260"><span>Syngas production by chemical-looping gasification of wheat straw with Fe-based oxygen carrier.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Hu, Jianjun; Li, Chong; Guo, Qianhui; Dang, Jiatao; Zhang, Quanguo; Lee, Duu-Jong; Yang, Yunlong</p> <p>2018-05-03</p> <p>The iron-based oxygen carriers (OC's), Fe 2 O 3 /support (Al 2 O 3 , TiO 2 , SiO 2 and ZrO 2 ), for chemical looping gasification of wheat straw were prepared using impregnation method. The surface morphology, crystal structure, carbon deposition potential, lattice oxygen activity and selectivity of the yielded OCs were examined. The Fe 2 O 3 /Al 2 O 3 OCs at 60% loading has the highest H 2 yield, H 2 /CO ratio, gas yield, and carbon conversion amongst the tested OC's. Parametric studies revealed that an optimal loading Fe 2 O 3 of 60%, steam-to-biomass ratio of 0.8 and oxygen carrier-to-biomass ratio of 1.0 led to the maximum H 2 /CO ratio, gas yield, H 2 + CO ratio, and carbon conversion from the gasified wheat straw. High temperature, up to 950 °C, enhanced the gasification performance. A kinetic network interpreted the noted experimental results. The lattice oxygen provided by the prepared Fe 2 O 3 /Al 2 O 3 oxygen carriers promotes chemical looping gasification efficiencies from wheat straw. Copyright © 2018 Elsevier Ltd. All rights reserved.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2017JPhCS.903a2033G','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2017JPhCS.903a2033G"><span>Structure and magnetic properties of Sm1-xZrx Fe10Si2 (x=0.2-0.6) alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Gjoka, M.; Sarafidis, C.; Psycharis, V.; Devlin, E.; Niarchos, D.; Hadjipanayis, G.</p> <p>2017-10-01</p> <p>Structure and magnetic properties of Sm1-xZrxFe10Si2 (0.1 ≤ x ≤ 0.6) alloys have been characterized using X-ray diffraction, thermomagnetic analysis and Mössbauer spectroscopy. The formation of the tetragonal ThMn12 -type structure was been observed in all alloys, without further annealing. The Curie temperature decreases linearly with Zr substitution from 322 °C for x=0.1 to 395 °C for x=0.6. Mössbauer spectroscopy showed the iron hyperfine field values decrease with increasing Zr content, and also confirmed changes to the magnetic anisotropy with increasing Zr content observed by XRD on oriented samples.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/22589749','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/22589749"><span>Ca(5)Zr(3)F(22).</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Oudahmane, Abdelghani; El-Ghozzi, Malika; Avignant, Daniel</p> <p>2012-04-01</p> <p>Single crystals of Ca(5)Zr(3)F(22), penta-calcium trizirconium docosafluoride, were obtained unexpectedly by solid-state reaction between CaF(2) and ZrF(4) in the presence of AgF. The structure of the title compound is isotypic with that of Sr(5)Zr(3)F(22) and can be described as being composed of layers with composition [Zr(3)F(20)](8-) made up from two different [ZrF(8)](4-) square anti-prisms (one with site symmetry 2) by corner-sharing. The layers extending parallel to the (001) plane are further linked by Ca(2+) cations, forming a three-dimensional network. Amongst the four crystallographically different Ca(2+) ions, three are located on twofold rotation axes. The Ca(2+) ions exhibit coordination numbers ranging from 8 to 12, depending on the cut off, with very distorted fluorine environments. Two of the Ca(2+) ions occupy inter-stices between the layers whereas the other two are located in void spaces of the [Zr(3)F(20)](8-) layer and alternate with the two Zr atoms along [010]. The crystal under investigation was an inversion twin.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.ncbi.nlm.nih.gov/pubmed/24699698','PUBMED'); return false;" href="https://www.ncbi.nlm.nih.gov/pubmed/24699698"><span>Exceptional capability of nanosized CeO(2) materials to "dissolve" lanthanide oxides established by time-gated excitation and emission spectroscopy.</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="https://www.ncbi.nlm.nih.gov/entrez/query.fcgi?DB=pubmed">PubMed</a></p> <p>Tiseanu, Carmen; Parvulescu, Vasile; Avram, Daniel; Cojocaru, Bogdan; Sanchez-Dominguez, Margarita</p> <p>2014-05-28</p> <p>The atomic scale homogeneity of Ce and Zr oxygen bonds represents the main reason for enhanced total oxygen storage capability of CeO2-ZrO2 (Ce/Zr = 1) as compared to that of CeO2. Here, we demonstrate that the addition of 10% Eu(3+) by wet impregnation on preformed nanosized CeO2-ZrO2 (Ce/Zr = 1) followed by calcination induces a remarkable homogeneity of 10% Eu(3+)-CeO2-ZrO2 solid solution. By use of time-resolved emission and excitation spectroscopies, the improvement of the nanoscale chemical and structural homogeneity of 10% Eu(3+)-CeO2-ZrO2 calcined at 1000 as compared to sample calcined at 750 °C is demonstrated. Based on the comparison of luminescence properties of 10% Eu(3+) impregnated on preformed nanosized CeO2-ZrO2 and CeO2, we also show that the presence of zirconium does not only preserve the ability of cerium oxide to "dissolve" lanthanide oxide, but also determines an important stabilization of defects (oxygen vacancies) generated upon Eu(3+) doping.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2018ApSS..438...96O','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2018ApSS..438...96O"><span>Hot corrosion behavior of YSZ, Gd2Zr2O7 and YSZ/Gd2Zr2O7 thermal barrier coatings exposed to molten sulfate and vanadate salt</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Ozgurluk, Yasin; Doleker, Kadir Mert; Karaoglanli, Abdullah Cahit</p> <p>2018-04-01</p> <p>Thermal barrier coatings (TBCs) are mostly used in critical components of aircraft gas turbine engines. Hot corrosion is among the main deteriorating factors in TBCs which results from the effect of molten salt on the coating-gas interface. This type of corrosion is observed as a result of contamination accumulated during combustion processes. Fuels used in aviation industry generally contain impurities such as vanadium oxide (V2O5) and sodium sulfate (Na2SO4). These impurities damage turbines' inlet at elevated temperatures because of chemical reaction. Yttria stabilized zirconia (YSZ) is a conventional top coating material for TBCs while Gd2Zr2O7 is a new promising top coating material for TBCs. In this study, CoNiCrAlY metallic bond coat was deposited on Inconel 718 nickel based superalloy substrate material with a thickness about 100 μm using cold gas dynamic spray (CGDS) method. Production of TBCs were done with deposition of YSZ, Gd2Zr2O7, YSZ/Gd2Zr2O7 ceramic top coating materials using EB-PVD method, having a total thickness of 300 μm. Hot corrosion behavior of YSZ, Gd2Zr2O7, YSZ/Gd2Zr2O7 TBC systems were exposed to 45 wt.% Na2SO4 and 55 wt.% V2O5 molten salt mixtures at 1000 °C temperature. TBC samples were investigated and compared using scanning electron microscope (SEM), energy dispersive spectroscopy (EDS) analysis and X-ray diffractometer (XRD). The hot corrosion failure mechanisms of YSZ, Gd2Zr2O7 and YSZ/Gd2Zr2O7 TBCs in the molten salts were evaluated.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('http://adsabs.harvard.edu/abs/2008PhDT.......238S','NASAADS'); return false;" href="http://adsabs.harvard.edu/abs/2008PhDT.......238S"><span>Investigation of thermodynamic properties of metal-oxide catalysts</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://adsabs.harvard.edu/abstract_service.html">NASA Astrophysics Data System (ADS)</a></p> <p>Shah, Parag Rasiklal</p> <p></p> <p>An apparatus for Coulometric Titration was developed and used to measure the redox isotherms (i.e. oxygen fugacity P(O2) vs oxygen stoichiometry) of ceria-zirconia solid solutions, mixed oxides of vanadia, and vanadia supported on ZrO2. This data was used to correlate the redox thermodynamics of these oxides to their structure and catalytic properties. From the redox isotherms measured between 873 K and 973 K, the differential enthalpies of oxidation (DeltaH) for Ce0.81Zr0.19O 2.0 and Ce0.25Zr0.75O2.0 were determined, and they were found to be independent of extent of reduction or composition of the solid solution. They were also lower than DeltaH for ceria, which explains the better redox properties of ceria-zirconia solid solutions. The oxidation was driven by entropy in the low reduction region, and a structural model was proposed to explain the observed entropy effects. Redox isotherms were also measured for a number of bulk vanadates between 823 K and 973 K. DeltaG, DeltaH and DeltaS were reported for V 2O5, Mg3(VO4)2, CeVO 4 and ZrV2O7 along with DeltaG values for AlVO 4, LaVO4, CrVO4. V2O5 and ZrV2O7, which were the only oxides having V-O-V bonds, showed a two-step transition of vanadium for V+3↔V +4 and V+4↔V+5 equilibrium in the redox isotherms. The other oxides, all of which have only M-O-V (M=cation other than V), showed a direct one-step transition, V+3↔V +5. The nature of the M-atom also influenced the P(O2) at which the V+3↔V+5 transition occurs. Redox isotherms at 748 K were measured for vanadia supported on ZrO 2; with two different vanadia loadings corresponding to isolated vanadyls and polymeric vanadyls. The isotherm for the sample with isolated vanadyls showed a single-step transition, similar to the one seen in bulk vanadates with M-O-V linkages, while no such one-step transition was observed in the isotherm of the other sample. To study the affect of the varying redox properties of the vanadium-based catalysts on oxidation rates, kinetic studies were performed for methanol and propane oxidation reactions on some of these catalysts. The results suggested that there was no effect of thermodynamic properties of these catalysts on the rates of these oxidation reactions.</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22163123-increasing-ti-brazed-joint-strength-equal-base-metal-ti-zr-amorphous-filler-alloys','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22163123-increasing-ti-brazed-joint-strength-equal-base-metal-ti-zr-amorphous-filler-alloys"><span>Increasing Ti-6Al-4V brazed joint strength equal to the base metal by Ti and Zr amorphous filler alloys</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Ganjeh, E., E-mail: navidganjehie@sina.kntu.ac.ir; Sarkhosh, H.; Bajgholi, M.E.</p> <p></p> <p>Microstructural features developed along with mechanical properties in furnace brazing of Ti-6Al-4V alloy using STEMET 1228 (Ti-26.8Zr-13Ni-13.9Cu, wt.%) and STEMET 1406 (Zr-9.7Ti-12.4Ni-11.2Cu, wt.%) amorphous filler alloys. Brazing temperatures employed were 900-950 Degree-Sign C for the titanium-based filler and 900-990 Degree-Sign C for the zirconium-based filler alloys, respectively. The brazing time durations were 600, 1200 and 1800 s. The brazed joints were evaluated by ultrasonic test, and their microstructures and phase constitutions analyzed by metallography, scanning electron microscopy and X-ray diffraction analysis. Since microstructural evolution across the furnace brazed joints primarily depends on their alloying elements such as Cu, Ni andmore » Zr along the joint. Accordingly, existence of Zr{sub 2}Cu, Ti{sub 2}Cu and (Ti,Zr){sub 2}Ni intermetallic compounds was identified in the brazed joints. The chemical composition of segregation region in the center of brazed joints was identical to virgin filler alloy content which greatly deteriorated the shear strength of the joints. Adequate brazing time (1800 s) and/or temperature (950 Degree-Sign C for Ti-based and 990 Degree-Sign C for Zr-based) resulted in an acicular Widmanstaetten microstructure throughout the entire joint section due to eutectoid reaction. This microstructure increased the shear strength of the brazed joints up to the Ti-6Al-4V tensile strength level. Consequently, Ti-6Al-4V can be furnace brazed by Ti and Zr base foils produced excellent joint strengths. - Highlights: Black-Right-Pointing-Pointer Temperature or time was the main factors of controlling braze joint strength. Black-Right-Pointing-Pointer Developing a Widmanstaetten microstructure generates equal strength to base metal. Black-Right-Pointing-Pointer Brittle intermetallic compounds like (Ti,Zr){sub 2}Ni/Cu deteriorate shear strength. Black-Right-Pointing-Pointer Ti and Zr base filler alloys were the best choice for brazing Ti-6Al-4V.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22606239-ab-initio-study-phase-stability-nazr-sub-po-sub-sub-under-pressure','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22606239-ab-initio-study-phase-stability-nazr-sub-po-sub-sub-under-pressure"><span>Ab initio study of phase stability of NaZr{sub 2}(PO{sub 4}){sub 3} under pressure</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Chinnappan, Ravi; Kaur, Gurpreet; Panigrahi, B. K.</p> <p>2016-05-23</p> <p>The elastic constants of NaZr{sub 2}(PO{sub 4}){sub 3} were computed as a function of pressure through Density Functional Theory calculations. The behavior of elastic constants show that the rhombohedral (R-3c) NaZr{sub 2}(PO{sub 4}){sub 3} becomes unstable above 8 GPa and is driven by softening of C{sub 44} through one of the Born stability criteria. High pressure equation of state and enthalpy show further that the ambient rhombohedral (R-3c)) NaZr{sub 2}(PO{sub 4}){sub 3} transforms first to another rhombohedral (R3) phase and subsequently to LiZr{sub 2}(PO{sub 4}){sub 3}-type orthorhombic phase at pressures above 6 and 8 GPa respectively which are in agreement with recentmore » X-ray diffraction study.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/servlets/purl/1362225','SCIGOV-STC'); return false;" href="https://www.osti.gov/servlets/purl/1362225"><span>2nd Gen FeCrAl ODS Alloy Development For Accident-Tolerant Fuel Cladding</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Dryepondt, Sebastien N.; Massey, Caleb P.; Edmondson, Philip D.</p> <p></p> <p>Extensive research at ORNL aims at developing advanced low-Cr high strength FeCrAl alloys for accident tolerant fuel cladding. One task focuses on the fabrication of new low Cr oxide dispersion strengthened (ODS) FeCrAl alloys. The first Fe-12Cr-5Al+Y 2O 3 (+ ZrO 2 or TiO 2) ODS alloys exhibited excellent tensile strength up to 800 C and good oxidation resistance in steam up to 1400 C, but very limited plastic deformation at temperature ranging from room to 800 C. To improve alloy ductility, several fabrication parameters were considered. New Fe-10-12Cr-6Al gas-atomized powders containing 0.15 to 0.5wt% Zr were procured and ballmore » milled for 10h, 20h or 40h with Y2O3. The resulting powder was then extruded at temperature ranging from 900 to 1050 C. Decreasing the ball milling time or increasing the extrusion temperature changed the alloy grain size leading to lower strength but enhanced ductility. Small variations of the Cr, Zr, O and N content did not seem to significantly impact the alloy tensile properties, and, overall, the 2nd gen ODS FeCrAl alloys showed significantly better ductility than the 1st gen alloys. Tube fabrication needed for fuel cladding will require cold or warm working associated with softening heat treatments, work was therefore initiated to assess the effect of these fabrications steps on the alloy microstructure and properties. This report has been submitted as fulfillment of milestone M3FT 16OR020202091 titled, Report on 2nd Gen FeCrAl ODS Alloy Development for the Department of Energy Office of Nuclear Energy, Advanced Fuel Campaign of the Fuel Cycle R&D program.« less</p> </li> <li> <p><a target="_blank" rel="noopener noreferrer" onclick="trackOutboundLink('https://www.osti.gov/biblio/22645526-ordering-calcium-vacancies-calcium-catapleiite-cazr-si-sub-sub-sub','SCIGOV-STC'); return false;" href="https://www.osti.gov/biblio/22645526-ordering-calcium-vacancies-calcium-catapleiite-cazr-si-sub-sub-sub"><span>Ordering of calcium and vacancies in calcium catapleiite CaZr[Si{sub 3}O{sub 9}] • 2H{sub 2}O</span></a></p> <p><a target="_blank" rel="noopener noreferrer" href="http://www.osti.gov/search">DOE Office of Scientific and Technical Information (OSTI.GOV)</a></p> <p>Aksenov, S. M., E-mail: aks.crys@gmail.com; Portnov, A. M.; Chukanov, N. V.</p> <p></p> <p>A sample of holotypic calcium catapleiite from the Burpala alkaline massif (Northern Baikal, Russia) is studied by single crystal X-ray analysis at 120 K and IR spectroscopy. The empirical formula of calcium catapleiite is Ca{sub 0.97}Na{sub 0.02}Zr{sub 1.01}Si{sub 3}O{sub 9} • 2H{sub 2}O (Z = 4). The X-ray diffraction study confirms the orthorhombic unit cell with the following parameters: a = 7.406(1), b = 12.687(1), and c = 10.112(1) Å; V = 950.1(2) Å{sup 3}; space group Pbnn. The crystal structure is refined in the anisotropic approximation of atomic displacement parameters using 1177 reflections with I > 2σ(I) to themore » final R = 2.91%. The structure of calcium catapleiite under study is based on the microporous heteropolyhedral framework formed by ZrO{sub 6} octahedra and threemembered silicon–oxygen rings [Si{sub 3}O{sub 9}]. It is on the whole analogous to the structures of the samples studied earlier, but differs from them by a high degree of ordering of calcium and vacancies at extraframework positions. The distribution of calcium over Ca1 and Ca2 positions in the calcium catapleiite structure leads to the formation of zigzag chains of the …Ca1–Zr–Ca1–Zr… and …Ca2–h–Ca2–□… types. Low occupancy of the Ca2 position and its alternation with the vacancy are prerequisites for potential Ca{sup 2+} cationic conduction.« less</p> </li> </ol> <div class="pull-right"> <ul class="pagination"> <li><a href="#" onclick='return showDiv("page_1");'>«</a></li> <li><a href="#" onclick='return showDiv("page_21");'>21</a></li> <li><a href="#" onclick='return showDiv("page_22");'>22</a></li> <li><a href="#" onclick='return showDiv("page_23");'>23</a></li> <li><a href="#" onclick='return showDiv("page_24");'>24</a></li> <li class="active"><span>25</span></li> <li><a href="#" onclick='return showDiv("page_25");'>»</a></li> </ul> </div> </div><!-- col-sm-12 --> </div><!-- row --> </div><!-- page_25 --> <div class="footer-extlink text-muted" style="margin-bottom:1rem; text-align:center;">Some links on this page may take you to non-federal websites. 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