Science.gov

Sample records for earth intermetallic compounds

  1. Magnetostriction and magnetism of rare earth intermetallic compounds: First principle study

    NASA Astrophysics Data System (ADS)

    Gavrilenko, V. I.; Wu, R. Q.

    2001-06-01

    Magnetism and magnetostriction of rare earth intermetallic compounds, GdCo2, GdFe2, NdCo2, SmCo2, and ErCo2, have been studied by using the first principles full-potential linearized augmented plane-wave method with the generalized gradient approximation. The calculated magnetostriction coefficients agree well with experiment. The itinerant electrons of transition metal elements are found to play a significant role in magnetoelastic coupling. The strong anisotropy of magnetostriction in GdCo2 is explained. Contributions due to spatial anisotropic charge distribution of the incomplete 4f shells are calculated and discussed.

  2. Photoemission Study of the Rare Earth Intermetallic Compounds: RNi2Ge2 (R=Eu, Gd)

    SciTech Connect

    Jongik Park

    2004-12-19

    EuNi{sub 2}Ge{sub 2} and GdNi{sub 2}Ge{sub 2} are two members of the RT{sub 2}X{sub 2} (R = rare earth, T = transition metal and X = Si, Ge) family of intermetallic compounds, which has been studied since the early 1980s. These ternary rare-earth intermetallic compounds with the tetragonal ThCr{sub 2}Si{sub 2} structure are known for their wide variety of magnetic properties, Extensive studies of the RT{sub 2}X{sub 2} series can be found in Refs [ 1,2,3]. The magnetic properties of the rare-earth nickel germanides RNi{sub 2}Ge{sub 2} were recently studied in more detail [4]. The purpose of this dissertation is to investigate the electronic structure (both valence band and shallow core levels) of single crystals of EuNi{sub 2}Ge{sub 2} and GdNi{sub 2}Ge{sub 2} and to check the assumptions that the f electrons are non-interacting and, consequently, the rigid-band model for these crystals would work [11], using synchrotron radiation because, to the best of our knowledge, no photoemission measurements on those have been reported. Photoemission spectroscopy has been widely used to study the detailed electronic structure of metals and alloys, and especially angle-resolved photoemission spectroscopy (ARPES) has proven to be a powerful technique for investigating Fermi surfaces (FSs) of single-crystal compounds.

  3. Catalyst and semiconductor studies involving oxidized rare earth intermetallic compounds. [Visible radiation

    SciTech Connect

    Shamsi, A.

    1981-01-01

    The intermetallic compounds (LaNi/sub 5/, CeNi/sub 5/, Ce/sub 2/Ni/sub 17/, TbNi/sub 5/, ZrNi/sub 5/, LaCo/sub 5/ ThCo/sub 5/ and CeCo/sub 5/) were oxidized with nitric oxide (NO), synthesis gas (SG) and oxygen (O/sub 2/). Most of these intermetallic compounds react readily with the oxidizers and were transformed into a mixture of transition metal and rare earth oxide for ThO/sub 2/) during the oxidation processes. Samples were also prepared by a freeze-drying method. The catalytic activity of these materials for synthesis gas conversion was measured with a single pass microreactor operating at 1 atm total pressure, and the major products were CH/sub 4/, CO/sub 2/, C/sub 2/H/sub 4/, C/sub 2/H/sub 6/ and H/sub 2/O. The product distribution indicated that the formation of methane is favored for most of the catalysts. CeCo/sub 5/ and LaCo/sub 5/ oxidized with O/sub 2/ were found to have higher olefin to paraffin ratio than the other catalysts. Carbon deposition occurs on the oxidized Co compound and ZrNi/sub 5/ during the catalytic reaction. The preparation of polycrystalline rare earth iron oxide electrodes by heating the rare earth (R) iron compounds (RFe/sub 2/, RFe/sub 3/, R/sub 2/Fe/sub 17/ and R/sub 6/Fe/sub 23/) in air in the flame of a Fisher burner is reported. Iron oxide and titanium oxide are also prepared by heating Fe and Ti metal in air for comparison. The current-voltage (I-V) properties of these materials are measured in aqueous solution of 1 M NaOH. The flatband potentials (V/sub fb/) are determined with respect to a fixed potential (SCE) extrapolating to zero current in I-V curves. Photoelectrolysis of water occurs at these electrodes, resulting in the evolution of oxygen (O/sub 2/) from the RFeO/sub x/ electrodes and hydrogen from the Pt electrode. Most of these electrodes are found to be stable under experimental conditions and anodic photocurrents are generated by light energy greater than the band gap energy (E/sub g/).

  4. A review on the synthesis, crystal growth, structure and physical properties of rare earth based quaternary intermetallic compounds

    NASA Astrophysics Data System (ADS)

    Mumbaraddi, Dundappa; Sarkar, Sumanta; Peter, Sebastian C.

    2016-04-01

    This review highlights the synthesis and crystal growth of quaternary intermetallic compounds based on rare earth metals. In the first part of this review, we highlight briefly about intermetallics and their versatile properties in comparison to the constituent elements. In the next part, we have discussed about various synthesis techniques with more focus on the metal flux technique towards the well shaped crystal growth of novel compounds. In the subsequent parts, several disordered quaternary compounds have been reviewed and then outlined most known ordered quaternary compounds with their complex structure. A special attention has been given to the ordered compounds with structural description and relation to the parent binary and ternary compounds. The importance of electronic and structural feature is highlighted as the key roles in designing these materials for emerging applications.

  5. Review of magnetic properties and magnetocaloric effect in the intermetallic compounds of rare earth with low boiling point metals

    NASA Astrophysics Data System (ADS)

    Ling-Wei, Li

    2016-03-01

    The magnetocaloric effect (MCE) in many rare earth (RE) based intermetallic compounds has been extensively investigated during the last two decades, not only due to their potential applications for magnetic refrigeration but also for better understanding of the fundamental problems of the materials. This paper reviews our recent progress on studying the magnetic properties and MCE in some binary or ternary intermetallic compounds of RE with low boiling point metal(s) (Zn, Mg, and Cd). Some of them exhibit promising MCE properties, which make them attractive for low temperature magnetic refrigeration. Characteristics of the magnetic transition, origin of large MCE, as well as the potential application of these compounds are thoroughly discussed. Additionally, a brief review of the magnetic and magnetocaloric properties in the quaternary rare earth nickel boroncarbides RENi2B2C superconductors is also presented. Project supported by the National Natural Science Foundation of China (Grant Nos. 11374081 and 11004044), the Fundamental Research Funds for the Central Universities, China (Grant Nos. N150905001, L1509006, and N140901001), the Japan Society for the Promotion of Science Postdoctoral Fellowships for Foreign Researchers (Grant No. P10060), and the Alexander von Humboldt (AvH) Foundation (Research stipend to L. Li).

  6. Some statistics on intermetallic compounds.

    PubMed

    Dshemuchadse, Julia; Steurer, Walter

    2015-02-01

    It is still largely unknown why intermetallic phases show such a large variety of crystal structures, with unit cell sizes varying between 1 and more than 20 000 atoms. The goal of our study was, therefore, to get a general overview of the symmetries, unit cell sizes, stoichiometries, most frequent structure types, and their stability fields based on the Mendeleev numbers as ordering parameters. A total of 20829 structures crystallizing in 2166 structure types have been studied for this purpose. Thereby, the focus was on a subset of 6441 binary intermetallic compounds, which crystallize in 943 structure types.

  7. Metamagnetism-enhanced magnetocaloric effect in the rare earth intermetallic compound Ho5Ge4

    NASA Astrophysics Data System (ADS)

    Nirmala, R.; Morozkin, A. V.; Rajivgandhi, R.; Nigam, A. K.; Quezado, S.; Malik, S. K.

    2016-11-01

    Magnetic and magnetocaloric properties of polycrystalline Ho5Ge4 (orthorhombic, Sm5Ge4-type, Space group Pnma, No. 62, oP36) compound have been studied. This compound orders antiferromagnetically at ~24 K (TN). From the magnetization vs field isotherms obtained close to the magnetic transition temperature, magnetocaloric effect (MCE) has been estimated. The isothermal magnetic entropy change (ΔSM) reaches a maximum value of ~-27 J/kg-K at ~30 K for a field change of 140 kOe. A metamagnetic transition is observed in the field dependent magnetization data at temperatures below 20 K, for critical fields above 20 kOe, giving rise to a ferromagnetic order and hence a large MCE. The magnetic moment value at 2.5 K is ~8μB/Ho3+ in 90 kOe field.

  8. Magnetic phase transitions in layered intermetallic compounds

    NASA Astrophysics Data System (ADS)

    Mushnikov, N. V.; Gerasimov, E. G.; Rosenfeld, E. V.; Terent'ev, P. B.; Gaviko, V. S.

    2012-10-01

    Magnetic, magnetoelastic, and magnetotransport properties have been studied for the RMn2Si2 and RMn6Sn6 (R is a rare earth metal) intermetallic compounds with natural layered structure. The compounds exhibit wide variety of magnetic structures and magnetic phase transitions. Substitution of different R atoms allows us to modify the interatomic distances and interlayer exchange interactions thus providing the transition from antiferromagnetic to ferromagnetic state. Near the boundary of this transition the magnetic structures are very sensitive to the external field, temperature and pressure. The field-induced transitions are accompanied by considerable change in the sample size and resistivity. It has been shown that various magnetic structures and magnetic phase transitions observed in the layered compounds arise as a result of competition of the Mn-Mn and Mn-R exchange interactions.

  9. New twisted intermetallic compound superconductor: A concept

    NASA Technical Reports Server (NTRS)

    Coles, W. D.; Brown, G. V.; Laurence, J. C.

    1972-01-01

    Method for processing Nb3Sn and other intermetallic compound superconductors produces a twisted, stabilized wire or tube which can be used to wind electromagnetics, armatures, rotors, and field windings for motors and generators as well as other magnetic devices.

  10. Synthesis of Xenon and Iron/Nickel Intermetallic Compounds Under the Thermodynamic Conditions of the Earth's Core.

    NASA Astrophysics Data System (ADS)

    Stavrou, E.; Zaug, J. M.; Crowhurst, J.; Lobanov, S.; Goncharov, A. F.; Prakapenka, V.; Prescher, C.; Yao, Y.; Liu, H.; Dai, Z.; Oleynik, I.; Steele, B.; Cong, K. N.

    2015-12-01

    The lower Xe abundance in Earth's atmosphere, in comparison to other noble gases like Ar and Kr, is one of the most challenging open questions in geosciences [1]. The origin of the so-called "missing Xe paradox" is usually attributed to the inclusion of Xe in the interior of Earth[2]. Although Xe is known to form compounds (e.g. with hydrogen, oxygen), none of them can be related with Earth's interior. Indeed, only a very low amount of Xe can be incorporated in silica at <1 GPa and 500K [3]. On the other hand, experimental attempts have failed to trace possible formation of Fe-Xe compounds up to 155 GPa and bellow 2500K [4]. A very recent theoretical study, suggests that Xe-Ni and Xe-Fe compounds can form at thermodynamic conditions representative of Earth's outer core [5]. Here we explored the possible formation of stable compounds in the Xe-Fe/Ni system at thermodynamic conditions representative of Earth's outer core starting from the following mixtures: a) Xe-Fe, b) Xe-Ni and c) Xe and an Fe/Ni alloy representative of Earth's core (ca 6% Ni). Using in situ synchrotron X-ray diffraction and Raman spectroscopy we report the formation of: a) a XeNi3 compound, in the form of a CrNi3-type FCC solid solution, above 150 GPa and 1500K, b) a Xe(Fe/Ni)3 compound, tentatively characterized as an orthorhombic NbPd3-type solid solution, above 190 GPa and 2000K and c) a still not completely characterized XeFexcompound above 180 GPa and 2000K. This work provides a plausible explanation of the "missing Xe paradox", and underscores the importance of understanding the novel rules of high-pressure chemistry for an improved understanding of the structure and chemistry of the Earth's core. [1] E. Anders, E. and T. Owen, Science 198, 453 (1977). [2] Caldwell, W. A. et al.,Science 277, 930 (1997). [3] C. Sanloup et al.,Science 310, 1174(2005). [4] D. Nishio-Hamane et al.,Geophys. Res. Lett. 37, L04302 (2010). [5] L. Zhu et al., Nature chemistry 6, 664 (2014).

  11. Crystal structure analysis of intermetallic compounds

    NASA Technical Reports Server (NTRS)

    Conner, R. A., Jr.; Downey, J. W.; Dwight, A. E.

    1968-01-01

    Study concerns crystal structures and lattice parameters for a number of new intermetallic compounds. Crystal structure data have been collected on equiatomic compounds, formed between an element of the Sc, Ti, V, or Cr group and an element of the Co or Ni group. The data, obtained by conventional methods, are presented in an easily usable tabular form.

  12. Chemical effect on diffusion in intermetallic compounds

    NASA Astrophysics Data System (ADS)

    Chen, Yi-Ting

    With the trend of big data and the Internet of things, we live in a world full of personal electronic devices and small electronic devices. In order to make the devices more powerful, advanced electronic packaging such as wafer level packaging or 3D IC packaging play an important role. Furthermore, ?-bumps, which connect silicon dies together with dimension less than 10 ?m, are crucial parts in advanced packaging. Owing to the dimension of ?-bumps, they transform into intermetallic compound from tin based solder after the liquid state bonding process. Moreover, many new reliability issues will occur in electronic packaging when the bonding materials change; in this case, we no longer have tin based solder joint, instead, we have intermetallic compound ?-bumps. Most of the potential reliability issues in intermetallic compounds are caused by the chemical reactions driven by atomic diffusion in the material; thus, to know the diffusivities of atoms inside a material is significant and can help us to further analyze the reliability issues. However, we are lacking these kinds of data in intermetallic compound because there are some problems if used traditional Darken's analysis. Therefore, we considered Wagner diffusivity in our system to solve the problems and applied the concept of chemical effect on diffusion by taking the advantage that large amount of energy will release when compounds formed. Moreover, by inventing the holes markers made by Focus ion beam (FIB), we can conduct the diffusion experiment and obtain the tracer diffusivities of atoms inside the intermetallic compound. We applied the technique on Ni3Sn4 and Cu3Sn, which are two of the most common materials in electronic packaging, and the tracer diffusivities are measured under several different temperatures; moreover, microstructure of the intermetallic compounds are investigated to ensure the diffusion environment. Additionally, the detail diffusion mechanism was also discussed in aspect of diffusion

  13. Comments on the thermoelectric power of intermetallic rare-earth compounds with well localized 4f shells

    NASA Astrophysics Data System (ADS)

    Szukiel, A. E.

    2016-05-01

    The anomalous temperature variation of the thermoelectric power in the metallic rare-earth compounds with well-localized 4f shells is sometimes interpreted as resulting from the conduction electrons scattering in the Born approximation on the acoustic phonons and on the localized spins in the s-f exchange interaction. Such an interpretation relies on the results of some theoretical works where the sign reversal and the maxima of the thermoelectric power were obtained within these simple models. In the present paper we prove that neither the electron-phonon scattering nor the magnetic s-f scattering in the Born approximation (nor both of them) do lead to the effects mentioned above.

  14. More statistics on intermetallic compounds - ternary phases.

    PubMed

    Dshemuchadse, Julia; Steurer, Walter

    2015-05-01

    How many different intermetallic compounds are known so far, and in how many different structure types do they crystallize? What are their chemical compositions, the most abundant ones and the rarest ones? These are some of the questions we are trying to find answers for in our statistical analysis of the structures of the 20,829 intermetallic phases included in the database Pearson's Crystal Data, with the goal of gaining insight into some of their ordering principles. In the present paper, we focus on the subset of 13,026 ternary intermetallics, which crystallize in 1391 different structure types; remarkably, 667 of them have just one representative. What makes these 667 structures so unique that they are not adopted by any other of the known intermetallic compounds? Notably, ternary compounds are known in only 5109 of the 85,320 theoretically possible ternary intermetallic systems so far. In order to get an overview of their chemical compositions we use structure maps with Mendeleev numbers as ordering parameters.

  15. Oxygen stabilized zirconium vanadium intermetallic compound

    DOEpatents

    Mendelsohn, Marshall H.; Gruen, Dieter M.

    1982-01-01

    An oxygen stabilized intermetallic compound having the formula Zr.sub.x OV.sub.y where x=0.7 to 2.0 and y=0.18 to 0.33. The compound is capable of reversibly sorbing hydrogen at temperatures from -196.degree. C. to 450.degree. C. at pressures down to 10.sup.-6 Torr. The compound is also capable of selectively sorbing hydrogen from gaseous mixtures in the presence of CO and CO.sub.2.

  16. Effect of microstructure and texture on the magnetic and magnetocaloric properties of the melt-spun rare earth intermetallic compound DyNi

    NASA Astrophysics Data System (ADS)

    Rajivgandhi, R.; Chelvane, J. Arout; Nigam, A. K.; Park, Je-Geun; Malik, S. K.; Nirmala, R.

    2016-11-01

    Magnetization measurements have been carried out on the melt-spun ribbon sample of the rare earth intermetallic compound DyNi (Orthorhombic, FeB-type, Space group Pnma) and its magnetic and magnetocaloric properties are compared with those of the arc-melted analog. The arc-melted DyNi orders ferromagnetically at around 61 K (TC) whereas the melt-spun DyNi orders ferromagnetically at about 47 K. The maximum isothermal magnetic entropy change, ∆Smmax , near TC of the arc-melted and the melt-spun DyNi is found to be -32.7 J/kg K and -22.4 J/kg K, respectively, for a field change of 140 kOe. For low magnetic field changes of ~20 kOe, the relative cooling power (RCP) is ~660 J/kg for the arc melted DyNi and ~460 J/kg for the melt-spun ribbon. The reduction in TC and magnetocaloric effect may be attributed to the microstructure-induced anisotropy developed during the melt-spinning process.

  17. Forging of FeAl intermetallic compounds

    SciTech Connect

    Flores, O.; Juarez, J.; Campillo, B.; Martinez, L.; Schneibel, J.H.

    1994-09-01

    Much activity has been concentrated on the development of intermetallic compounds with the aim of improving tensile ductility, fracture toughness and high notch sensitivity in order to develop an attractive combination of properties for high and low temperature applications. This paper reports experience in processing and forging of FeAl intermetallic of B2 type. During the experiments two different temperatures were employed, and the specimens were forged after annealing in air, 10{sup {minus}2} torr vacuum and argon. From the results it was learned that annealing FeAl in argon atmosphere prior to forging resulted in better deformation behavior than for the other two environments. For the higher forging temperature used in the experiments (700C), the as-cast microstructure becomes partially recrystallized.

  18. Contrasts in Structural and Bonding Representations among Polar Intermetallic Compounds. Strongly Differentiated Hamilton Populations for Three Related Condensed Cluster Halides of the Rare-Earth Elements

    SciTech Connect

    Gupta, Shalabh; Meyer, Gerd; Corbett, John D.

    2010-10-01

    The crystal and electronic structures of three related R{sub 3}TnX{sub 3} phases (R = rare-earth metal, Tn = transition metal, X = Cl, I) containing extended mixed-metal chains are compared and contrasted: (1) Pr{sub 3}RuI{sub 3} (P2{sub 1}/m), (2) Gd{sub 3}MnI{sub 3} (P2{sub 1}/m), and (3) Pr{sub 3}RuCl{sub 3} (Pnma). The structures all feature double chains built of pairs of condensed R{sub 6}(Tn) octahedral chains encased by halogen atoms. Pr{sub 3}RuI{sub 3} (1) lacks significant Ru-Ru bonding, evidently because of packing restrictions imposed by the large closed-shell size of iodine. However, the vertex Pr2 atoms on the chain exhibit a marked electronic differentiation. These are strongly bound to the central Ru (and to four I), but very little to four neighboring Pr in the cluster according to bond populations, in contrast to Pr2-Pr 'bond' distances that are very comparable to those elsewhere. In Gd{sub 3}MnI{sub 3} (2), the smaller metal atoms allow substantial distortions and Mn-Mn bonding. Pr{sub 3}RuCl{sub 3} (3), in contrast to the iodide (1), can be described in terms of a more tightly bound superstructure of (2) in which both substantial Ru-Ru bonding and an increased number of Pr-Cl contacts in very similar mixed-metal chains are favored by the smaller closed-shell contacts of chlorine. Local Spin Density Approximation (LSDA) Linearized Muffin-Tin Orbital (LMTO)-ASA calculations and Crystal Orbital Hamilton Population (COHP) analyses show that the customary structural descriptions in terms of condensed, Tn-stuffed, R-R bonded polyhedral frameworks are poor representations of the bonding in all. Hamilton bond populations (-ICOHP) for the polar mixed-metal R-Tn and the somewhat smaller R-X interactions account for 75-90% of the total populations in each of these phases, together with smaller contributions and variations for R-R and Tn-Tn interactions. The strength of such R-Tn contributions in polar intermetallics was first established or anticipated by

  19. SYNTHESIS AND CHARACTERIZATION OF NEW INTERMETALLIC COMPOUNDS

    SciTech Connect

    Professor Monica Sorescu

    2003-05-07

    This six-month work is focused mainly on the properties of novel magnetic intermetallics. In the first project, we synthesized several 2:17 intermetallic compounds, namely Nd{sub 2}Fe{sub 15}Si{sub 2}, Nd{sub 2}Fe{sub 15}Al{sub 2}2, Nd{sub 2}Fe{sub 15}SiAl and Nd{sub 2}Fe{sub 15}SiMn, as well as several 1:12 intermetallic compounds, such as NdFe{sub 10}Si{sub 2}, NdFe{sub 10}Al{sub 2}, NdFe{sub 10}SiAl and NdFe{sub 10}MnAl. In the second project, seven compositions of Nd{sub x}Fe{sub 100-x-y}B{sub y} ribbons were prepared by a melt spinning method with Nd and B content increasing from 7.3 and 3.6 to 11 and 6, respectively. The alloys were annealed under optimized conditions to obtain a composite material consisting of the hard magnetic Nd{sub 2}Fe{sub 14}B and soft magnetic {alpha}-Fe phases, typical of a spring magnet structure. In the third project, intermetallic compounds of the type Zr{sub 1}Cr{sub 1}Fe{sub 1}T{sub 0.8} with T=Al, Co and Fe were subjected to hydrogenation. In the fourth project, we performed three crucial experiments. In the first experiment, we subjected a mixture of Fe{sub 3}O{sub 4} and Fe(80-20 wt%) to mechanochemical activation by high-energy ball milling, for time periods ranging from 0.5 to 14 hours. In the second experiment, we ball-milled Fe{sub 3}O{sub 4}:Co{sup 2+} (x=0.1) for time intervals between 2.5 and 17.5 hours. Finally, we exposed a mixture of Fe{sub 3}O{sub 4} and Co(80-20 wt%) to mechanochemical activation for time periods ranging from 0.5 to 10 hours. In all cases, the structural and magnetic properties of the systems involved were elucidated by X-ray diffraction (XRD), Moessbauer spectroscopy and hysteresis loop measurements. The four projects resulted in four papers, which are currently being considered for publication in Intermetallics, IEEE Transactions on Magnetics, Journal of Materials Science Letters and Journal of Materials Science. The contributions reveal for the first time in literature the effect of

  20. Roles of Titanium-Intermetallic Compound Layer

    NASA Astrophysics Data System (ADS)

    Lee, Chii-Chang

    Four different configurations have been tested: Al-Cu, Ti/Al-Cu, Al-Cu/Ti, and Ti/Al-Cu/Ti to evaluate the possible contributions of Ti-intermetallic compound layer(s) to enhancement of the lifetime to failure. Basically, the proposed mechanisms can be classified into two groups: shunting effect and effects limited to changes in Al-Cu conducting layer(s). A resistance monitoring technique was adopted to supplement lifetime measurement to separate these two effects. By correlating the first resistance jump (spike) to the happening of a complete open across Al-Cu layer, it was found that the shunting effect contributes to enhancement of the lifetime by 4 times in Ti/Al-Cu, 2 times in Al-Cu/Ti, and 2 times in Ti/Al-Cu/Ti. A Ti underlayer was found to contribute mainly the shunting effect. However, from drift velocity measurements and failure mode analysis, it is possible to deduce that a Ti overlayer contributes not only the shunting effect but also another effect that acts to diminish the grain boundary mass transport rate by a factor of about 76. It is believed that the latter effect is a consequence of the high compressive yield stength conferred by the Ti-intermetallic compound overlayer to the Al-Cu layer. Finally, an important non-destructive technique, based on the characteristic x-rays generated by energetic electrons, to characterize the mass divergences in multilayer interconnects, was developed in this research, called SMEISIS, representing Simultaneous Multiple Elements Intensity Scanning of Interconnecting Stripes. This technique was proved to be capable of revealing detail about the shapes, nature, and location of mass divergence that cannot be revealed by thermal wave image technique and that requires time consuming multiple sectioning in TEM and SEM methods.

  1. SrZn2Sn2 and Ca2Zn3Sn6 — two new Ae-Zn-Sn polar intermetallic compounds (Ae: alkaline earth metal)

    NASA Astrophysics Data System (ADS)

    Stegmaier, Saskia; Fässler, Thomas F.

    2012-08-01

    SrZn2Sn2 and Ca2Zn3Sn6, two closely related new polar intermetallic compounds, were obtained by high temperature reactions of the elements. Their crystal structures were determined with single crystal XRD methods, and their electronic structures were analyzed by means of DFT calculations. The Zn-Sn structure part of SrZn2Sn2 comprises (anti-)PbO-like {ZnSn4/4} and {SnZn4/4} layers. Ca2Zn3Sn6 shows similar {ZnSn4/4} layers and {Sn4Zn} slabs constructed of a covalently bonded Sn scaffold capped by Zn atoms. For both phases, the two types of layers are alternatingly stacked and interconnected via Zn-Sn bonds. SrZn2Sn2 adopts the SrPd2Bi2 structure type, and Ca2Zn3Sn6 is isotypic to the R2Zn3Ge6 compounds (R=La, Ce, Pr, Nd). Band structure calculations indicate that both SrZn2Sn2 and Ca2Zn3Sn6 are metallic. Analyses of the chemical bonding with the electron localization function (ELF) show lone pair like basins at Sn atoms and Zn-Sn bonding interactions between the layers for both title phases, and covalent Sn-Sn bonding within the {Sn4Zn} layers of Ca2Zn3Sn6.

  2. Huge positive hyperfine fields for Sn impurity atoms on R sites of R T intermetallic compounds (R=rare-earth, T=Fe, Co)

    NASA Astrophysics Data System (ADS)

    Krylov, V. I.; Delyagin, N. N.

    2006-10-01

    The magnetic hyperfine field Bhf of the 119Sn impurity atom on the R site of the RFe 2 (R=Sm, Tb, Tm), TbCo 2, RCo 5 (R=Dy, Ho, Er), GdCo 3 and Gd 2Co 7 intermetallic compounds has been investigated by Mössbauer spectroscopy technique. At 5 K, very large hyperfine fields equal to 46-56 T were observed. The B values are several times larger than commonly observed for Sn in 3d-based magnetic hosts. The hyperfine fields are positive (that is parallel to the 3d magnetic moments direction). The results can be interpreted qualitatively in terms of the theory proposed for the impurity atoms in homogeneous ferromagnetic hosts [J. Kanamori, H. Katayama-Yoshida, K. Terakura, Hyperfine Interact. 8 (1981) 573; J. Kanamori, H. Katayama-Yoshida, K. Terakura, Hyperfine Interact. 9 (1981) 363; M. Akai, H. Akai, J. Kanamori, J. Phys. Soc. Jpn. 54 (1985) 4246; S. Blügel, H. Akai, R. Zeller, P.H. Dederichs, Phys. Rev. B 35 (1987) 3271], when it is considered that the splitting between bonding and antibonding hybrid states is strongly dependent on the interatomic distance. As the distance between the probe atom and neighboring magnetic atoms increases, the population of the antibonding states grows and, as a consequence, the corresponding positive contribution to the B increases sharply. For Sn atom the positive contribution to the B dominates when the interatomic distance exceeds 0.28-0.29 nm.

  3. Formation of Intermetallic Compounds During Explosive Welding

    NASA Astrophysics Data System (ADS)

    Greenberg, Bella A.; Ivanov, Mikhail A.; Pushkin, Mark S.; Inozemtsev, Alexei V.; Patselov, Alexander M.; Tankeyev, Anatoliy P.; Kuzmin, Sergey V.; Lysak, Vladimir I.

    2016-11-01

    Transition states between traditional, i.e., plain and wavy, shapes of the interface during explosive welding were studied. A sequence of the transition states was found for the studied copper-titanium and copper-tantalum joints. Some transition states are common for the joints under study, while others are only typical of the copper-titanium joints, due to sufficiently high solubility of original elements. A transition state has been found, during which cusps, even though they are solid phase, look like splashes on the water. The key role of these splashes is that they evidence the lower boundary of the `weldability window.' The study found certain self-organization processes of the cusps that cause them to turn into a quasi-wavy shape of the interface, and then, as the welding mode is intensified, into a wavy shape. The role of intermetallic compounds was analyzed, due to which a wave only consists of cusps in case mutual solubility of original metals is sufficiently high.

  4. Formation of Intermetallic Compounds During Explosive Welding

    NASA Astrophysics Data System (ADS)

    Greenberg, Bella A.; Ivanov, Mikhail A.; Pushkin, Mark S.; Inozemtsev, Alexei V.; Patselov, Alexander M.; Tankeyev, Anatoliy P.; Kuzmin, Sergey V.; Lysak, Vladimir I.

    2016-08-01

    Transition states between traditional, i.e., plain and wavy, shapes of the interface during explosive welding were studied. A sequence of the transition states was found for the studied copper-titanium and copper-tantalum joints. Some transition states are common for the joints under study, while others are only typical of the copper-titanium joints, due to sufficiently high solubility of original elements. A transition state has been found, during which cusps, even though they are solid phase, look like splashes on the water. The key role of these splashes is that they evidence the lower boundary of the `weldability window.' The study found certain self-organization processes of the cusps that cause them to turn into a quasi-wavy shape of the interface, and then, as the welding mode is intensified, into a wavy shape. The role of intermetallic compounds was analyzed, due to which a wave only consists of cusps in case mutual solubility of original metals is sufficiently high.

  5. First-principles studies of Ni-Ta intermetallic compounds

    SciTech Connect

    Zhou Yi; Wen Bin; Ma Yunqing; Melnik, Roderick; Liu Xingjun

    2012-03-15

    The structural properties, heats of formation, elastic properties, and electronic structures of Ni-Ta intermetallic compounds are investigated in detail based on density functional theory. Our results indicate that all Ni-Ta intermetallic compounds calculated here are mechanically stable except for P21/m-Ni{sub 3}Ta and hc-NiTa{sub 2}. Furthermore, we found that Pmmn-Ni{sub 3}Ta is the ground state stable phase of Ni{sub 3}Ta polymorphs. The polycrystalline elastic modulus has been deduced by using the Voigt-Reuss-Hill approximation. All Ni-Ta intermetallic compounds in our study, except for NiTa, are ductile materials by corresponding G/K values and poisson's ratio. The calculated heats of formation demonstrated that Ni{sub 2}Ta are thermodynamically unstable. Our results also indicated that all Ni-Ta intermetallic compounds analyzed here are conductors. The density of state demonstrated the structure stability increases with the Ta concentration. - Graphical abstract: Mechanical properties and formation heats of Ni-Ta intermetallic compounds are discussed in detail in this paper. Highlights: Black-Right-Pointing-Pointer Ni-Ta intermetallic compounds are investigated by first principle calculations. Black-Right-Pointing-Pointer P21/m-Ni{sub 3}Ta and hc-NiTa{sub 2} are mechanically unstable phases. Black-Right-Pointing-Pointer Pmmn-Ni{sub 3}Ta is ground stable phase of Ni{sub 3}Ta polymorphs. Black-Right-Pointing-Pointer All Ni-Ta intermetallic compounds are conducting materials.

  6. Valence of neptunium in intermetallic compounds

    SciTech Connect

    Spitsyn, V.I.; Ionova, G.V.

    1987-07-01

    The authors use Moessbauer spectroscopy and quantum chemical calculations to determine the valence and electronic structure of neptunium in its intermetallic forms with a variety of alloys. The isomeric shifts are measured on Np 237 nuclei. Quantum electronic properties and population density estimates are calculated within the framework of the Hartree-Fock-Slater method.

  7. Magnetocaloric effect of RM2 (R = rare earth, M = Ni, Al) intermetallic compounds made by centrifugal atomization process for magnetic refrigerator

    NASA Astrophysics Data System (ADS)

    Matsumoto, K.; Asamato, K.; Nishimura, Y.; Zhu, Y.; Abe, S.; Numazawa, T.

    2012-12-01

    RM2 (R = rare earth, M = Al, Ni and Co) compounds have large entropy change and magnetic transition temperatures can be controlled by change of R and/or M so that are suitable to a magnetic refrigerator for hydrogen liquefaction under development. In order to improve refrigerator performance, spherical powdered HoAl2, DyAl2, and GdNi2 compounds with submillimeter diameter were synthesized by centrifugal atomization process. By measuring the magnetization and heat capacity, we obtained entropy change by magnetic fields and entropy as functions of temperature and magnetic field, which are essential for analysing the magnetic refrigeration cycle. All samples showed sharp magnetic transitions and had good potentials for use in magnetic refrigeration.

  8. Theoretical screening of intermetallic ThMn12-type phases for new hard-magnetic compounds with low rare earth content.

    PubMed

    Körner, Wolfgang; Krugel, Georg; Elsässer, Christian

    2016-01-01

    We report on theoretical investigations of intermetallic phases derived from the ThMn12-type crystal structure. Our computational high-throughput screening (HTS) approach is extended to an estimation of the anisotropy constant K1, the anisotropy field Ha and the energy product (BH)max. The calculation of K1 is fast since it is based on the crystal field parameters and avoids expensive total-energy calculations with many k-points. Thus the HTS approach allows a very efficient search for hard-magnetic materials for which the magnetization M and the coercive field Hc connected to Ha represent the key quantities. Besides for NdFe12N which has the highest magnetization we report HTS results for several intermetallic phases based on Cerium which are interesting as alternative hard-magnetic phases because Cerium is a less ressource-critical element than Neodymium. PMID:27098547

  9. Theoretical screening of intermetallic ThMn12-type phases for new hard-magnetic compounds with low rare earth content

    PubMed Central

    Körner, Wolfgang; Krugel, Georg; Elsässer, Christian

    2016-01-01

    We report on theoretical investigations of intermetallic phases derived from the ThMn12-type crystal structure. Our computational high-throughput screening (HTS) approach is extended to an estimation of the anisotropy constant K1, the anisotropy field Ha and the energy product (BH)max. The calculation of K1 is fast since it is based on the crystal field parameters and avoids expensive total-energy calculations with many k-points. Thus the HTS approach allows a very efficient search for hard-magnetic materials for which the magnetization M and the coercive field Hc connected to Ha represent the key quantities. Besides for NdFe12N which has the highest magnetization we report HTS results for several intermetallic phases based on Cerium which are interesting as alternative hard-magnetic phases because Cerium is a less ressource-critical element than Neodymium. PMID:27098547

  10. ESCA studies of methanation catalysts derived from intermetallic compounds

    SciTech Connect

    Chin, R.L.; Elattar, A.; Wallace, W.E.; Hercules, D.M.

    1980-10-30

    Studies of methanation catalysts derived from intermetallic compounds provided evidence that the high activity previously reported for ThNi/sub 5/ for the methanation reaction was due to a surface enrichment of the catalyst with nickel during reduction in hydrogen at 300/sup 0/C or during the reaction of carbon monoxide with hydrogen. The less active thorium oxide/nickel catalyst prepared by a conventional impregnation method had a much lower surface concentration of metallic nickel. The deactivation of the ThCo/sub 5/ intermetallic compound by deposition of graphitic carbon was also confirmed.

  11. Unique intermetallic compounds prepared by shock wave synthesis

    NASA Technical Reports Server (NTRS)

    Otto, G.; Reece, O. Y.; Roy, U.

    1971-01-01

    Technique compresses fine ground metallic powder mixture beyond crystal fusion point. Absence of vapor pressure voids and elimination of incongruous effects permit application of technique to large scale fabrication of intermetallic compounds with specific characteristics, e.g., semiconduction, superconduction, or magnetic properties.

  12. Explosive reaction pressing of intermetallic compounds from stoichiometric powder mixtures

    SciTech Connect

    Kochsiek, D.; Pruemmer, R.; Brunold, A.

    1995-09-01

    Intermetallic NiAl, TiAl, and TiAl{sub 3} were synthesized by shock compression experiments from stoichiometric powder mixtures of nickel and aluminium as well as of titanium and aluminium. Good consolidation and complete intermetallic reaction were achieved by the direct method of explosive compaction. For each powder mixture, a certain individual threshold pressure has to be exceeded in order to initiate intermetallic reaction. The reacting compounds melted completely with subsequent rapid solidification during the passage of the shock wave. The new material shows high hardness. Pores are formed by gaseous reaction products in the NiAl and TiAl{sub 3} compacts. The TiAl structure is fully-dense and dendritic.

  13. Oxygen-stabilized zirconium-vanadium intermetallic compound

    DOEpatents

    Mendelsohn, M.H.; Gruen, D.M.

    1981-10-06

    An oxygen stabilized intermetallic compound having the formula Zr/sub x/OV/sub y/ where x = 0.7 to 2.0 and y = 0.18 to 0.33 is described. The compound is capable of reversibly sorbing hydrogen at temperatures from - 196/sup 0/C to 450/sup 0/C at pressures down to 10/sup -6/ Torr. The compound is also capable of selectively sorbing hydrogen from gaseous mixtures in the presence of CO and CO/sub 2/.

  14. Quantum criticality in selected uranium intermetallic and organometallic compounds

    NASA Astrophysics Data System (ADS)

    Nasreen, Farzana

    My thesis presents the studies of the bulk properties of materials that exhibit unusual low-temperature properties due to the proximity of a quantum-critical point (QCP), for which long-range magnetic order can be suppressed to 0 K as a consequence of quantum fluctuations. A material can be tuned to the QCP by variation of a non-thermal control parameter such as hydrostatic pressure, magnetic field and chemical pressure/doping. Most of my experimental studies were performed at extreme conditions, such as high magnetic fields, low temperatures and/or high pressures. Two classes of materials were studied, namely uranium intermetallics and organometallics. The investigations on uranium intermetallics were done on compounds close to the edge of magnetism, i.e. the UCu4+xAl 8-x, UCuxAl5-x and UFe1-xNixAl compounds. Several of those compounds exhibit deviations from traditional Fermi-liquid theory and show non-Fermi liquid (NFL) scaling at low temperatures. Field-induced magnetic transitions were studied for some selected uranium compounds (UNiAl, UNiGa, UNiGe and UIrGe) as well. Furthermore, a study of organometallic quantum magnet (DTN: NiCl2-4SC(NH 2)2), which exhibits field-induced quantum criticality, is presented. In DTN, the magnetic-field induced polarization shows magneto-electric couplings between the antiferromagnetic Ni spins and the soft organic lattice.

  15. The Shock Hugoniot of the Intermetallic Compound Ni3Al

    SciTech Connect

    Knapp, I.; Millett, J. C. F.; Meziere, Y. J. E.; Gray, G. T. III; Bourne, N. K.

    2006-07-28

    The behaviour of the intermetallic compound, Ni3Al under shock loading conditions has been measured. The Hugoniot Elastic Limit occurs at ca. 530 MPa, which converts to a 1-D yield stress of 273 MPa, in agreement with quasi-static data. In contrast, the ductility at shock-induced strain-rates appears much reduced when compared to lower strain-rates. The Hugoniot in terms of shock velocity and particle velocity suggests that Ni3Al is more compressible than pure nickel. This is in agreement with the greater stiffnesses in nickel, measured using ultrasonic techniques.

  16. Surfaces of complex intermetallic compounds: insights from density functional calculations.

    PubMed

    Hafner, Jürgen; Krajčí, Marian

    2014-11-18

    CONSPECTUS: Complex intermetallic compounds are a class of ordered alloys consisting of quasicrystals and other ordered compounds with large unit cells; many of them are approximant phases to quasicrystals. Quasicrystals are the limiting case where the unit cell becomes infinitely large; approximants are series of periodic structures converging to the quasicrystal. While the unique properties of quasicrystals have inspired many investigations of their surfaces, relatively little attention has been devoted to the surface properties of the approximants. In general, complex intermetallic compounds display rather irregular, often strongly corrugated surfaces, making the determination of their atomic structure a very complex and challenging task. During recent years, scanning tunneling microscopy (STM) has been used to study the surfaces of several complex intermetallic compounds. If atomic resolution can be achieved, STM permits visualization of the local atomistic surface structure. However, the interpretation of the STM images is often ambiguous and sometimes even impossible without a realistic model of the structure of the surface and the distribution of the electronic density above the surface. Here we demonstrate that ab initio density functional theory (DFT) can be used to determine the energetics and the geometric and electronic structures of the stable surfaces of complex intermetallic compounds. Calculations for surfaces with different chemical compositions can be performed in the grand canonical ensemble. Simulated cleavage experiments permit us to determine the formation of the cleavage planes requiring the lowest energy. The investigation of the adsorption of molecular species permits a comparison with temperature-programmed thermal desorption experiments. Calculated surface electronic densities of state can be compared with the results of photoelectron spectroscopy. Simulations of detailed STM images can be directly confronted with the experimental results

  17. Structural and Electronic Investigations of Complex Intermetallic Compounds

    SciTech Connect

    Ko, Hyunjin

    2008-01-01

    In solid state chemistry, numerous investigations have been attempted to address the relationships between chemical structure and physical properties. Such questions include: (1) How can we understand the driving forces of the atomic arrangements in complex solids that exhibit interesting chemical and physical properties? (2) How do different elements distribute themselves in a solid-state structure? (3) Can we develop a chemical understanding to predict the effects of valence electron concentration on the structures and magnetic ordering of systems by both experimental and theoretical means? Although these issues are relevant to various compound classes, intermetallic compounds are especially interesting and well suited for a joint experimental and theoretical effort. For intermetallic compounds, the questions listed above are difficult to answer since many of the constituent atoms simply do not crystallize in the same manner as in their separate, elemental structures. Also, theoretical studies suggest that the energy differences between various structural alternatives are small. For example, Al and Ga both belong in the same group on the Periodic Table of Elements and share many similar chemical properties. Al crystallizes in the fcc lattice with 4 atoms per unit cell and Ga crystallizes in an orthorhombic unit cell lattice with 8 atoms per unit cell, which are both fairly simple structures (Figure 1). However, when combined with Mn, which itself has a very complex cubic crystal structure with 58 atoms per unit cell, the resulting intermetallic compounds crystallize in a completely different fashion. At the 1:1 stoichiometry, MnAl forms a very simple tetragonal lattice with two atoms per primitive unit cell, while MnGa crystallizes in a complicated rhombohedral unit cell with 26 atoms within the primitive unit cell. The mechanisms influencing the arrangements of atoms in numerous crystal structures have been studied theoretically by calculating electronic

  18. In-situ neutron diffraction analysis of deformation behavior of ductile rare-earth intermetallic yttrium-copper

    NASA Astrophysics Data System (ADS)

    Williams, Scott H.

    Intermetallic compounds exhibit favorable properties for numerous diverse engineering applications. Many intermetallic compounds possess high strength and high stiffness at elevated temperature, excellent corrosion resistance, and low density, making them potentially useful in a wide range of applications. However, several drawbacks, limited ductility in particular, have prevented these compounds from achieving wide-spread application. In order to make full use of potential of intermetallic compounds, these limitations must be better understood and overcome. In the search for improved ductility in intermetallics, recent findings from an Ames Laboratory research group have uncovered an entire family of compounds possessing the B2 structure which exhibit room temperature tensile ductility. These materials do not require third-element additions, off-stoichiometric chemistry, disordering, or elaborate environmental testing conditions to enhance ductility. Previous studies have investigated various structural and physical properties of this family of compounds, yet the mechanisms for ductility remain uncertain. Low temperature phase transformations are known to occur in several of these compounds. Suggestions for possible mechanisms have included stress-induced phase transformation, as well as the deformation accommodated through crystallographic twinning. In-situ neutron diffraction allows for observations of structural changes and the relationship to macroscopic physical properties. Using this investigation technique, experiments have been conducted to examine rare-earth intermetallic YCu for evidence of phase transformation, twinning, or indications of other deformation behavior. Results give insight into the crystal structure of the compound, indicating a high degree of crystal lattice coherency, and resulting dynamical diffraction behavior not commonly observed in engineering materials.

  19. Development of New Cryocooler Regenerator Materials-Ductile Intermetallic Compounds

    SciTech Connect

    K.A. Gschneidner; A.O. Pecharsky; V.K. Pecharsky

    2004-09-30

    The volumetric heat capacities of a number of binary and ternary Er- and Tm-based intermetallic compounds, which exhibited substantial ductilities, were measured from {approx}3 to {approx}350 K. They have the RM stoichiometry (where R = Er or Tm, and M is a main group or transition metal) and crystallize in the CsCl-type structure. The heat capacities of the Tm-based compounds are in general larger than the corresponding Er-based materials. Many of them have heat capacities which are significantly larger than those of the low temperature (<15 K) prototype cryocooler regenerator materials HoCu{sub 2}, Er{sub 3}Ni and ErNi. Utilization of the new materials as regenerators in the various cryocoolers should improve the performance of these refrigeration units for cooling below 15 K.

  20. SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6} - two new Ae-Zn-Sn polar intermetallic compounds (Ae: alkaline earth metal)

    SciTech Connect

    Stegmaier, Saskia; Faessler, Thomas F.

    2012-08-15

    SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6}, two closely related new polar intermetallic compounds, were obtained by high temperature reactions of the elements. Their crystal structures were determined with single crystal XRD methods, and their electronic structures were analyzed by means of DFT calculations. The Zn-Sn structure part of SrZn{sub 2}Sn{sub 2} comprises (anti-)PbO-like {l_brace}ZnSn{sub 4/4}{r_brace} and {l_brace}SnZn{sub 4/4}{r_brace} layers. Ca{sub 2}Zn{sub 3}Sn{sub 6} shows similar {l_brace}ZnSn{sub 4/4}{r_brace} layers and {l_brace}Sn{sub 4}Zn{r_brace} slabs constructed of a covalently bonded Sn scaffold capped by Zn atoms. For both phases, the two types of layers are alternatingly stacked and interconnected via Zn-Sn bonds. SrZn{sub 2}Sn{sub 2} adopts the SrPd{sub 2}Bi{sub 2} structure type, and Ca{sub 2}Zn{sub 3}Sn{sub 6} is isotypic to the R{sub 2}Zn{sub 3}Ge{sub 6} compounds (R=La, Ce, Pr, Nd). Band structure calculations indicate that both SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6} are metallic. Analyses of the chemical bonding with the electron localization function (ELF) show lone pair like basins at Sn atoms and Zn-Sn bonding interactions between the layers for both title phases, and covalent Sn-Sn bonding within the {l_brace}Sn{sub 4}Zn{r_brace} layers of Ca{sub 2}Zn{sub 3}Sn{sub 6}. - Graphical abstract: Crystal structures of the new Ae-Zn-Sn polar intermetallic phases SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6}. Highlights: Black-Right-Pointing-Pointer New polar intermetallic phases SrZn{sub 2}Sn{sub 2} and Ca{sub 2}Zn{sub 3}Sn{sub 6}. Black-Right-Pointing-Pointer Obtained by high temperature reactions of the elements. Black-Right-Pointing-Pointer Single crystal XRD structure determination and DFT electronic structure calculations. Black-Right-Pointing-Pointer Closely related crystal and electronic structures. Black-Right-Pointing-Pointer Metallic conductivity coexisting with lone pairs and covalent bonding

  1. CO2 laser welding of titanium aluminide intermetallic compound

    NASA Astrophysics Data System (ADS)

    Kuwahara, Gaku; Yamaguchi, Shigeru; Nanri, Kenzo; Ootani, Masanori; Seto, Sachio; Arai, Mikiya; Fujioka, Tomoo

    2000-02-01

    Titanium aluminide intermetallic compound is studied to find out good welding conditions using CO2 laser irradiation. In the experiment, we used the casting titanium aluminide containing iron, vanadium and boron with a thickness of 2 mm. We carried out bead-on-plate laser welding at various initial temperatures of specimens varied from room temperature to 873 [K] in inert gas environment filled with argon. We measured fused depth, bead width and Vickers hardness. As a result of experiments, welding speeds that allow full bead-on- plate welding to be possible were strongly by dependent on the initial temperature, 3000 [mm/min], initial temperature 873 [K], 2600 [mm/mm], initial temperature 673 [K], and 2000 [mm/min] with 300 [K]. Transverse crack-free welding was achieved, when initial temperature was at 873 [K].

  2. Effects of elastic anisotropy on mechanical behavior of intermetallic compounds

    SciTech Connect

    Yoo, M.H.

    1991-01-01

    Fundamental aspects of the deformation and fracture behavior of ordered intermetallic compounds are examined within the framework of linear anisotropic elasticity theory of dislocations and cracks. The orientation dependence and the tension/compression asymmetry of yield stress are explained in terms of the anisotropic coupling effect of non-glide stresses to the glide strain. The anomalous yield behavior is related to the disparity (edge/screw) of dislocation mobility and the critical stress required for the dislocation multiplication mechanism of Frank-Read type. The slip-twin conjugate relationship, extensive faulting, and pseudo-twinning (martensitic transformation) at a crack tip can be enhanced also by the anisotropic coupling effect, which may lead to transformation toughening of shear type.

  3. Rare-Earth Transition-Metal Intermetallics: Structure-bonding-Property Relationships

    SciTech Connect

    Han, Mi-Kyung

    2006-01-01

    Our explorations of rare-earth, transition metal intermetallics have resulted in the synthesis and characterization, and electronic structure investigation, as well as understanding the structure-bonding-property relationships. Our work has presented the following results: (1) Understanding the relationship between compositions and properties in LaFe13-xSix system: A detailed structural and theoretical investigation provided the understanding of the role of a third element on stabilizing the structure and controlling the transformation of cubic NaZn13-type structures to the tetragonal derivative, as well as the relationship between the structures and properties. (2) Synthesis of new ternary rare-earth iron silicides RE2-xFe4Si14-y and proposed superstructure: This compound offers complex structural challenges such as fractional occupancies and their ordering in superstructure. (3) Electronic structure calculation of FeSi2: This shows that the metal-semiconductor phase transition depends on the structure. The mechanism of band gap opening is described in terms of bonding and structural distortion. This result shows that the electronic structure calculations are an essential tool for understanding the relationship between structure and chemical bonding in these compounds. (4) Synthesis of new ternary rare-earth Zinc aluminides Tb3Zn3.6Al7.4: Partially ordered structure of Tb3.6Zn13-xAl7.4 compound provides new insights into the formation, composition and structure of rare-earth transition-metal intermetallics. Electronic structure calculations attribute the observed composition to optimizing metal-metal bonding in the electronegative (Zn, Al) framework, while the specific ordering is strongly influenced by specific orbital interactions. (5) Synthesis of new structure type of Zn39(CrxAl1-x

  4. Rare-earth transition-metal intermetallics: Structure-bonding-property relationships

    SciTech Connect

    Han, M. K.

    2006-01-01

    The explorations of rare-earth, transition metal intermetallics have resulted in the synthesis and characterization, and electronic structure investigation, as well as understanding the structure-bonding property relationships. The work has presented the following results: (1) Understanding the relationship between compositions and properties in LaFe13-xSix system: A detailed structural and theoretical investigation provided the understanding of the role of a third element on stabilizing the structure and controlling the transformation of cubic NaZn{sub 13}-type structures to the tetragonal derivative, as well as the relationship between the structures and properties. (2) Synthesis of new ternary rare-earth iron silicides Re2-xFe4Si14-y and proposed superstructure: This compound offers complex structural challenges such as fractional occupancies and their ordering in superstructure. (3) Electronic structure calculation of FeSi2: This shows that the metal-semiconductor phase transition depends on the structure. The mechanism of band gap opening is described in terms of bonding and structural distortion. This result shows that the electronic structure calculations are an essential tool for understanding the relationship between structure and chemical bonding in these compounds. (4) Synthesis of new ternary rare-earth Zinc aluminides Tb3Zn3.6Al7.4: Partially ordered structure of Tb3Zn3.6Al7.4 compound provides new insights into the formation, composition and structure of rare-earth transition-metal intermetallics. Electronic structure calculations attribute the observed composition to optimizing metal-metal bonding in the electronegative (Zn, Al) framework, while the specific ordering is strongly influenced by specific orbital interactions. (5) Synthesis of new structure type of Zn39(CrxAl1-x)81

  5. Griffiths phase behaviour in a frustrated antiferromagnetic intermetallic compound

    PubMed Central

    Ghosh, Krishanu; Mazumdar, Chandan; Ranganathan, R.; Mukherjee, S.

    2015-01-01

    The rare coexistence of a Griffiths phase (GP) and a geometrically frustrated antiferromagnetism in the non-stoichiometric intermetallic compound GdFe0.17Sn2 (the paramagnetic Weiss temperature θp ~ −59 K) is reported in this work. The compound forms in the Cmcm space group with large structural anisotropy (b/c ~ 4). Interestingly, all the atoms in the unit cell possess the same point group symmetry (Wycoff position 4c), which is rather rare. The frustration parameter, f = |θp|/TN has been established as 3.6, with the Néel temperature TN and Griffiths temperature TG being 16.5 and 32 K, respectively. The TG has been determined from the heat capacity measurement and also from the magnetocaloric effect (MCE). It is also shown that substantial difference in GP region may exist between zero field and field cooled measurements - a fact hitherto not emphasized so far. PMID:26515256

  6. Magnetic and crystallographic structures in UTX intermetallic compounds

    SciTech Connect

    Robinson, R.A.; Lawson, A.C.; Sechovsky, V.; Havela, L.; Kergadallan, Y.; Nakotte, H.; de Boer, F.R.

    1993-08-01

    Uranium, along with other actinides and lanthanides, forms a large group of ternary intermetallic compounds of stoichiometry UTX (T = transition metal, X = p-electron metal). These compounds are formed in several structure types and the occurrence and stability of particular structures with respect to the transition metal content suggests reasonable systematics. The authors have also investigated the magnetic structures of selected UTX compounds and it is revealing to relate the crystallographic and magnetic structures, because of the relationship between the magnetic symmetry and that of the U-atom environment produced by the 5f-ligand hybridization, and the consequent anisotropic exchange. Those of ZrNiAl structure type are collinear, with moments along the hexagonal c-axis. In the orthorhombic NiSiTi structure type, the moments are confined to the b- c plane (perpendicular to the uranium chains) and the structures are often incommensurate. In the hexagonal CaIn{sub 2} (or GaGeLi) structure type, the magnetic structures form in an orthorhombic cell, and at least in the disordered centric group, again the moments lie perpendicular to the nearest-neighbor uranium spacing. This work presents a phenomenology of trends in UTX ternary compounds. It is shown that there is an apparent strong hybridization parallel to nearest neighbor U-U directions, with ferromagnetic coupling in the same directions. There may be a systematic relationship between the hybridization anisotropy and the magnetic anisotropy, in which the quantization axes are the same and the moments point along directions of relatively weak hybridization.

  7. X (X: Al, Mo, Ti, Pt, Si, Nb, V, and Zr) intermetallic compounds

    NASA Astrophysics Data System (ADS)

    Chen, Qiang; Huang, Zhiwei; Zhao, Zude; Hu, Chuankai

    2014-09-01

    In the present study, the ground-state properties of Ni3X intermetallic compounds were analyzed by means of the first-principles pseudo-potential method using the Cambridge serial total energy package code. The calculated lattice parameters of Ni3X intermetallic compounds are in good agreement with the experimental and other theoretical data. The single-crystal elastic constants were calculated; the hardness, ductile, and plasticity of materials were analyzed. The calculated enthalpies of formation showed that all of intermetallic compounds were thermodynamically stable; Debye temperature and heat capacity are calculated and discussed. Moreover, the chemical bonding in these intermetallic compounds was interpreted by calculating the density of states, electron density difference distribution, and Mulliken analysis; magnetism properties were briefly analyzed.

  8. Formation of intermetallic compound coating on magnesium AZ91 cast alloy

    NASA Astrophysics Data System (ADS)

    Zhu, Tianping; Gao, Wei

    2009-08-01

    This study describes an intermetallic compound coating formed on AZ91 Mg cast alloy. The Al sputtered on AZ91 cast alloy reacted with substrate during a short period of heat treatment at 435°C, resulting in the formation of a continuous intermetallic compound layer. The short period treatment has the advantage of minimizing the negative effect on the microstructure of substrate and the mechanical properties, comparing with the reported diffusion coatings. DSC measurement and examination on the cross-section of Al sputtered samples show that local melting occurred along the Al/substrate interface at the temperature range between 430~435°C. The formation mechanism of intermetallic compound coating is proposed in terms of the local melting at Al/substrate interface. The salt water immersion test showed significant improvement in corrosion resistance of the intermetallic compound coated AZ91 cast alloy compared with the as-cast alloys.

  9. Intermetallic compound formation at Cu-Al wire bond interface

    SciTech Connect

    Bae, In-Tae; Young Jung, Dae; Chen, William T.; Du Yong

    2012-12-15

    Intermetallic compound (IMC) formation and evolution at Cu-Al wire bond interface were studied using focused ion beam /scanning electron microscopy, transmission electron microscopy (TEM)/energy dispersive x-ray spectroscopy (EDS), nano beam electron diffraction (NBED) and structure factor (SF) calculation. It was found that discrete IMC patches were formed at the Cu/Al interface in as-packaged state and they grew toward Al pad after high temperature storage (HTS) environment at 150 Degree-Sign C. TEM/EDS and NBED results combined with SF calculation revealed the evidence of metastable {theta} Prime -CuAl{sub 2} IMC phase (tetragonal, space group: I4m2, a = 0.404 nm, c= 0.580 nm) formed at Cu/Al interfaces in both of the as-packaged and the post-HTS samples. Two feasible mechanisms for the formation of the metastable {theta} Prime -CuAl{sub 2} phase are discussed based on (1) non-equilibrium cooling of wire bond that is attributed to highly short bonding process time and (2) the epitaxial relationships between Cu and {theta} Prime -CuAl{sub 2}, which can minimize lattice mismatch for {theta} Prime -CuAl{sub 2} to grow on Cu.

  10. Preparation of a Ti-Ni intermetallic compound by using a drop shaft

    SciTech Connect

    Suzuki, Y.; Shimokawa, K.; Ueda, Y.; Nagao, J.

    1996-10-01

    A Ti-Ni intermetallic compound could be formed rapidly from Ti and Ni powder compact with SHS process. Microgravity experiments using a drop shaft are carried out. This report shows the effect of microgravity or high gravity on formability of an intermetallic compound. It is concluded that the specimen forms a porous and nearly amorphous alloy by rapid cooling under microgravity, but with rapid cooling under high gravity after microgravity, the specimen forms a uniform and dense structure with better crystallinity.

  11. Point Defects Quenched in Nickel Aluminide and Related Intermetallic Compounds

    NASA Astrophysics Data System (ADS)

    Fan, Jiawen

    Point defects in the highly ordered B2 compounds NiAl, CoAl and FeAl were studied using the perturbed gammagamma angular correlations (PAC) technique. Quadrupole interactions detected at dilute ^{111}In probes on Al sites in NiAl and CoAl were identified with complexes containing one or two vacancies in the first atomic shell. Measurements on rapidly quenched NiAl and CoAl exhibited increases in site fractions of vacancy-probe complexes caused by formation of thermal defects. Site fractions were analyzed using the law of mass action to obtain absolute vacancy concentrations. PAC is shown to be a powerful new technique for the quantitative study of equilibrium defects in solids. For NiAl, the vacancy concentration quenched-in from a given temperature was found to be independent of composition over the range 50.4 -53.5 at.% Ni, identifying the Schottky defect (vacancy pair) as the dominant equilibrium defect, and ruling out the so-called triple defect. Formation energies and entropies of Schottky pairs were determined to be 2.66(8) and 3.48(12) eV, and 12(1) and 17(2) k_{rm B}, respectively, for NiAl and CoAl. The entropies suggest huge vacancy concentrations, 13%, at the melting temperatures of NiAl and CoAl. Migration energies of Ni and Co vacancies were found to be 1.8(2) and 2.5(2) eV, respectively. FeAl exhibited complex behavior. A low-temperature regime was detected in NiAl and CoAl within which vacancies are mobile but do not anneal out, so that the vacancy concentration remains constant. In NiAl, this "bottleneck" regime extends from 350 to 700 ^circC. Vacancies were found to be bound to the In probes with an energy very close to 0.20 eV in NiAl and CoAl. An explanation of the bottleneck is proposed in terms of saturation of all lattice sinks. This annealing bottleneck should exist in a wide range of intermetallic compounds when there is a sufficiently high vacancy concentration.

  12. Surface integrity on grinding of gamma titanium aluminide intermetallic compounds

    NASA Astrophysics Data System (ADS)

    Murtagian, Gregorio Roberto

    Gamma-TiAl is an ordered intermetallic compound characterized by high strength to density ratio, good oxidation resistance, and good creep properties at elevated temperatures. However, it is intrinsically brittle at room temperature. This thesis investigates the potential for the use of grinding to process TiAl into useful shapes. Grinding is far from completely understood, and many aspects of the individual mechanical interactions of the abrasive grit with the material and their effect on surface integrity are unknown. The development of new synthetic diamond superabrasives in which shape and size can be controlled raises the question of the influence of those variables on the surface integrity. The goal of this work is to better understand the fundamentals of the abrasive grit/material interaction in grinding operations. Experimental, analytical, and numerical work was done to characterize and predict the resultant deformation and surface integrity on ground lamellar gamma-TiAl. Grinding tests were carried out, by analyzing the effects of grit size and shape, workpiece speed, wheel depth of cut, and wear on the subsurface plastic deformation depth (PDD). A practical method to assess the PDD is introduced based on the measurement of the lateral material flow by 3D non-contact surface profilometry. This method combines the quantitative capabilities of the microhardness measurement with the sensitivity of Nomarski microscopy. The scope and limitations of this technique are analyzed. Mechanical properties were obtained by quasi-static and split Hopkinson bar compression tests. Residual stress plots were obtained by x-ray, and surface roughness and cracking were evaluated. The abrasive grit/material interaction was accounted by modeling the force per abrasive grit for different grinding conditions, and studying its correlation to the PDD. Numerical models of this interaction were used to analyze boundary conditions, and abrasive size effects on the PDD. An explicit 2D

  13. Gravity segregation of complex intermetallic compounds in liquid aluminum-silicon alloys

    SciTech Connect

    Shabestari, S.G.; Gruzleski, J.E.

    1995-04-01

    Primary crystals of intermetallics that are rich in iron, manganese, and chromium form at temperatures above the liquidus, and because their density is higher than that of liquid aluminum, they cause gravity segregation in the melt. Segregation may occur either in the mold at slow cooling rates or in the bulk liquid in furnaces or ladles. The kinetics of settling of these intermetallic compounds in a melt of Al-12.5 pct Si having 1.2 pct Fe, 0.3 pct Mn, and 0.1 pct Cr has been studied. Sedimentation was investigated at 630 C for settling times of 30, 90, and 180 minutes in an electric resistance furnace. The effect of settling time and height of melt on the volume percent, number, and size of intermetallic compounds was studied by image analysis. The volume percent of intermetallics increases with distance from the melt surface. Both the number of particles and the average size increase during sedimentation. The rate of settling varies with position in the melt due to depletion of intermetallics near the surface and an increase near the bottom. The settling velocities obtained experimentally were compared with terminal velocities calculated by Stokes` law. Good agreement was generally found. The settling speed of intermetallics reaches the terminal velocity at very short times and very close to the liquid surface. Stokes` law is therefore applicable to virtually all locations within the melt.

  14. X-Ray Diffraction of Intermetallic Compounds: A Physical Chemistry Laboratory Experiment

    ERIC Educational Resources Information Center

    Varberg, Thomas D.; Skakuj, Kacper

    2015-01-01

    Here we describe an experiment for the undergraduate physical chemistry laboratory in which students synthesize the intermetallic compounds AlNi and AlNi3 and study them by X-ray diffractometry. The compounds are synthesized in a simple one-step reaction occurring in the solid state. Powder X-ray diffractograms are recorded for the two compounds…

  15. Micromechanisms of intergranular brittle ftacture in intermetallic compounds

    NASA Astrophysics Data System (ADS)

    Vitek, V.

    1991-06-01

    Grain boundaries in intermetallic compounds such as Ni3A1 are inherently brittle. The reason is usually sought in grain boundary cohesion but in metals even brittle fracture is accompanied by some local plasticity and thus not only cohesion but also dislocation mobility in the boundary region need to be studied. We first discuss here the role of an irreversible shear deformation at the crack tip during microcrack propagation assuming that these two processes are concomitant. It is shown that a pre-existing crack cannot propagate in a brittle manner once the dislocation emission occurs. However, if a microcrack nucleates during loading it can propagate concurrently with the development of the irreversible shear deformation at the crack tip. The latter is then the major energy dissipating process. In the second part of this paper we present results of atomistic studies of grain boundaries in Ni3A1 and CU3Au which suggest that substantial structural differences exist between strongly and weakly ordered L12 alloys. We discuss then the consequence of these differences for intergranular brittleness in the framework of the above model for microcrack propagation. On this basis we propose an explanation for the intrinsic intergranular brittleness in some L12 alloys and relate it directly to the strength of ordering. Les joints de grains dans les composés intermétalliques de type Ni3AI sont de nature fragile. L'origine de cette fragilité est habituellement dans la cohésion des joints de grains. Dans les métaux, cependant, même la rupture fragile est accompagnée d'une certaine déformation plastique locale, de telle sorte que non seulement la cohésion mais aussi la mobilité des dislocations près des joints doit être étudiée. Nous discutons d'abord le rôle d'une déformation en cisaillement irréversible en tête de fissure pendant la propagation de cette fissure, en supposant que les deux processus sont concomitants. Nous montrons qu'une fissure préexistante ne

  16. Electronic and high pressure elastic properties of RECd and REHg (RE=Sc, La and Yb) intermetallic compounds

    NASA Astrophysics Data System (ADS)

    Devi, Hansa; Pagare, Gitanjali; Chouhan, Sunil S.; Sanyal, Sankar P.

    2015-01-01

    Structural, electronic, elastic and mechanical properties of Cd and Hg based rare earth intermetallics (RECd and REHg; RE=Sc, La and Yb) have been investigated using the full-potential linearized augmented plane-wave (FP-LAPW) method within the density-functional theory (DFT). The ground state properties such as lattice constant (a0), bulk modulus (B) and its pressure derivative (B‧) have been obtained using optimization method and are found in good agreement with the available experimental results. The calculated enthalpy of formation shows that LaHg has the strongest alloying ability and structural stability. The electronic band structures and density of states reveal the metallic character of these compounds. The structural stability mechanism is also explained through the electronic structures of these compounds. The chemical bonding between rare earth atoms and Cd, Hg is interpreted by the charge density plots along (1 1 0) direction. The elastic constants are predicted from which all the related mechanical properties like Poisson's ratio (σ), Young's modulus (E), shear modulus (GH) and anisotropy factor (A) are calculated. The ductility/brittleness of these intermetallics is predicted. Chen's method has been used to predict the Vicker's hardness of RECd and REHg compounds. The pressure variation of the elastic constants is also reported in their B2 phase.

  17. Resonant ultrasound spectroscopy: Elastic properties of some intermetallic compounds

    SciTech Connect

    Chu, F.; Thoma, D.J.; He, Y.; Maloy, S.A.; Mitchell, T.E.

    1996-09-01

    A novel nondestructive evaluation method, resonant ultrasound spectroscopy (RUS), is reviewed with an emphasis upon defining the elastic properties of intermetallic phases. The applications and advantages of RUS as compared to other conventional elastic constant measurement methods are explained. RUS has been employed to measure the elastic properties of single crystal and/or polycrystalline intermetallics, such as Laves phases (C15 HfV{sub 2} and NbCr{sub 2}), Nb-modified titanium aluminides, and transition metal disilicides (C11{sub b} MoSi{sub 2}, C40 NbSi{sub 2} and TaSi{sub 2}). For Laves phases, the elastic properties of HfV{sub 2}-based C15 phases show various anomalies and those of C15 NbCr{sub 2} do not. For Nb-modified titanium aluminides, the elastic properties of O-phase alloys are investigated as a function of alloying content. For transition metal disilicides, single crystal elastic constants of MoSi{sub 2}, NbSi{sub 2}, and TaSi{sub 2} are obtained and compared. Based on the experimentally determined elastic properties, the characteristics of interatomic bonding in these materials are examined and the possible impact of the elastic properties on mechanical behavior is discussed.

  18. Hydrides of intermetallic compounds and alloys: their properties and application in atomic technology

    SciTech Connect

    Perevezentsev, A. N.; Andreev, B. M.; Kapyshev, V. K.; Rivkis, L. A.; Malek, M. P.; Bystritskii, V. M.; Stolupin, V. A.

    1988-11-01

    The Soviet and foreign literature is reviewed and an attempt is made to systematize the large amount of information on the fundamental properties of most of the well-known hydride-forming intermetallic compounds and their practical use for the extraction, cleaning, and storage of hydrogen and the separation of its isotopes.

  19. Evaluation of Gibbs free energies of formation of Ce-Cd intermetallic compounds using electrochemical techniques

    NASA Astrophysics Data System (ADS)

    Shibata, Hiroki; Hayashi, Hirokazu; Akabori, Mitsuo; Arai, Yasuo; Kurata, Masaki

    2014-08-01

    Gibbs free energies of formation of six Ce-Cd intermetallic compounds, CeCd, CeCd2, CeCd3, CeCd58/13, CeCd6 and CeCd11, were evaluated systematically using electrochemical techniques in the temperature range of 673-923 K in the LiCl-KCl-CeCl3-CdCl2 molten salt bath. The linear dependence of the Gibbs free energies of formation on temperature yields to the enthalpies and entropies of formation of these intermetallic compounds. By extrapolating the Gibbs free energy of Ce-Cd intermetallic compounds to the Cd distillation temperature, it was clear that the Gibbs free energy of Ce-Cd intermetallic compounds decreases gradually from CeCd6 to CeCd2 and attains minimum value at CeCd2. This suggests on the Cd distillation from the U-Pu-Ce-Cd alloy that the dissolution of U or Pu into CeCd2 should be mostly taken into consideration.

  20. Modeling of Intermetallic Compounds Growth Between Dissimilar Metals

    NASA Astrophysics Data System (ADS)

    Wang, Li; Wang, Yin; Prangnell, Philip; Robson, Joseph

    2015-09-01

    A model has been developed to predict growth kinetics of the intermetallic phases (IMCs) formed in a reactive diffusion couple between two metals for the case where multiple IMC phases are observed. The model explicitly accounts for the effect of grain boundary diffusion through the IMC layer, and can thus be used to explore the effect of IMC grain size on the thickening of the reaction layer. The model has been applied to the industrially important case of aluminum to magnesium alloy diffusion couples in which several different IMC phases are possible. It is demonstrated that there is a transition from grain boundary-dominated diffusion to lattice-dominated diffusion at a critical grain size, which is different for each IMC phase. The varying contribution of grain boundary diffusion to the overall thickening kinetics with changing grain size helps explain the large scatter in thickening kinetics reported for diffusion couples produced under different conditions.

  1. Synthesis, Characterization and Properties of Nanoparticles of Intermetallic Compounds

    SciTech Connect

    DiSalvo, Francis J.

    2015-03-12

    The research program from 2010 to the end of the grant focused on understanding the factors important to the synthesis of single phase intermetallic nano-particles (NPs), their size, crystalline order, surface properties and electrochemical activity. The synthetic method developed is a co-reduction of mixtures of single metal precursors by strong, soluble reducing agents in a non-protic solvent, tetrahydrofuran (THF). With some exceptions, the particles obtained by room temperature reduction are random alloys that need to be annealed at modest temperatures (200 to 600 °C) in order to develop an ordered structure. To avoid significant particle size growth and agglomeration, the particles must be protected by surface coatings. We developed a novel method of coating the metal nanoparticles with KCl, a by-product of the reduction reaction if the proper reducing agents are employed. In that case, a composite product containing individual metal nanoparticles in a KCl matrix is obtained. The composite can be heated to at least 600 °C without significant agglomeration or growth in particle size. Washing the annealed product in the presence of catalyst supports in ethylene glycol removes the KCl and deposits the particles on the support. Six publications present the method and its application to producing and studying new catalyst/support combinations for fuel cell applications. Three publications concern the use of related methods to explore new lithium-sulfur battery concepts.

  2. TiNiSn: A gateway to the (1,1,1) intermetallic compounds

    SciTech Connect

    Cook, B.A.; Harringa, J.L.; Tan, Z.S.; Jesser, W.A.

    1996-06-01

    Recent awareness of the transport properties of Skutterudite pnictides has stimulated an interest in numerous other intermetallic compounds having a gap in the density of states at the Fermi level including the MNiSn compounds where M = (Ti, Zr, Hf). These intermetallic half-Heusler compounds are characterized by high Seebeck coefficients ({minus}150 to {minus}300 {micro}V/deg.) and reasonable carrier mobilities (30 to 50 cm{sup 2}/V-s) at room temperature which make them attractive candidates for intermediate temperature thermoelectric applications. Samples of TiNiSn were prepared by arc melting and homogenized by heat treatment. The temperature dependence of the electrical resistivity, Seebeck coefficient, and thermal diffusivity of these samples was characterized between 22 C and 900 C. The electrical resistivity and thermopower both decrease with temperature although the resistivity decreases at a faster rate. Electrical power factors in excess of 25 {micro}W/cm-C{sup 2} were observed in nearly single phase alloys within a 300 to 600 C temperature range. A brief survey of other selected ternary intermetallic compounds is also presented.

  3. Increasing strength and conductivity of Cu alloy through abnormal plastic deformation of an intermetallic compound

    PubMed Central

    Han, Seung Zeon; Lim, Sung Hwan; Kim, Sangshik; Lee, Jehyun; Goto, Masahiro; Kim, Hyung Giun; Han, Byungchan; Kim, Kwang Ho

    2016-01-01

    The precipitation strengthening of Cu alloys inevitably accompanies lowering of their electric conductivity and ductility. We produced bulk Cu alloys arrayed with nanofibers of stiff intermetallic compound through a precipitation mechanism using conventional casting and heat treatment processes. We then successfully elongated these arrays of nanofibers in the bulk Cu alloys to 400% of original length without breakage at room temperature using conventional rolling process. By inducing such an one-directional array of nanofibers of intermetallic compound from the uniform distribution of fine precipitates in the bulk Cu alloys, the trade-off between strength and conductivity and between strength and ductility could be significantly reduced. We observed a simultaneous increase in electrical conductivity by 1.3 times and also tensile strength by 1.3 times in this Cu alloy bulk compared to the conventional Cu alloys. PMID:27488621

  4. Increasing strength and conductivity of Cu alloy through abnormal plastic deformation of an intermetallic compound

    NASA Astrophysics Data System (ADS)

    Han, Seung Zeon; Lim, Sung Hwan; Kim, Sangshik; Lee, Jehyun; Goto, Masahiro; Kim, Hyung Giun; Han, Byungchan; Kim, Kwang Ho

    2016-08-01

    The precipitation strengthening of Cu alloys inevitably accompanies lowering of their electric conductivity and ductility. We produced bulk Cu alloys arrayed with nanofibers of stiff intermetallic compound through a precipitation mechanism using conventional casting and heat treatment processes. We then successfully elongated these arrays of nanofibers in the bulk Cu alloys to 400% of original length without breakage at room temperature using conventional rolling process. By inducing such an one-directional array of nanofibers of intermetallic compound from the uniform distribution of fine precipitates in the bulk Cu alloys, the trade-off between strength and conductivity and between strength and ductility could be significantly reduced. We observed a simultaneous increase in electrical conductivity by 1.3 times and also tensile strength by 1.3 times in this Cu alloy bulk compared to the conventional Cu alloys.

  5. Synthesis gas reactions over catalysts formed by oxidation of thorium-containing intermetallic compounds

    SciTech Connect

    Imamura, H.; Wallace, W.E.

    1980-09-01

    Intermetallic compounds containing 1:1, 1:2, 1:5, and 7:3 thorium-nickel ratios were prepared, powdered, and treated with oxygen at room temperature or 350/sup 0/C. The resulting catalysts contained mainly thorium dioxide and metallic nickel, and the nickel dispersions, as measured by CO adsorption, were 1.1-6.0%. The catalysts were active for the reaction of 3:1 hydrogen/carbon monoxide in proportion to the amount of oxygen uptake during pretreatment, and were highly selective for methane formation. Turnover numbers of up to 10.6 were obtained at 205/sup 0/C. The methanation reaction over 3.9 and 25Vertical Bar3< nickel on thoria support prepared by the conventional impregnation method gave similar conversions at 490/sup 0/-510/sup 0/C as the oxidized intermetallic compounds did at approx. 200/sup 0/C.

  6. Increasing strength and conductivity of Cu alloy through abnormal plastic deformation of an intermetallic compound.

    PubMed

    Han, Seung Zeon; Lim, Sung Hwan; Kim, Sangshik; Lee, Jehyun; Goto, Masahiro; Kim, Hyung Giun; Han, Byungchan; Kim, Kwang Ho

    2016-01-01

    The precipitation strengthening of Cu alloys inevitably accompanies lowering of their electric conductivity and ductility. We produced bulk Cu alloys arrayed with nanofibers of stiff intermetallic compound through a precipitation mechanism using conventional casting and heat treatment processes. We then successfully elongated these arrays of nanofibers in the bulk Cu alloys to 400% of original length without breakage at room temperature using conventional rolling process. By inducing such an one-directional array of nanofibers of intermetallic compound from the uniform distribution of fine precipitates in the bulk Cu alloys, the trade-off between strength and conductivity and between strength and ductility could be significantly reduced. We observed a simultaneous increase in electrical conductivity by 1.3 times and also tensile strength by 1.3 times in this Cu alloy bulk compared to the conventional Cu alloys. PMID:27488621

  7. Massive spalling of intermetallic compounds in solder-substrate reactions due to limited supply of the active element

    SciTech Connect

    Yang, S. C.; Ho, C. E.; Chang, C. W.; Kao, C. R.

    2007-04-15

    Massive spalling of intermetallic compounds has been reported in the literature for several solder/substrate systems, including SnAgCu soldered on Ni substrate, SnZn on Cu, high-Pb PbSn on Cu, and high-Pb PbSn on Ni. In this work, a unified thermodynamic argument is proposed to explain this rather unusual phenomenon. According to this argument, two necessary conditions must be met. The number one condition is that at least one of the reactive constituents of the solder must be present in a limited amount, and the second condition is that the soldering reaction has to be very sensitive to its concentration. With the growth of intermetallic, more and more atoms of this constituent are extracted out of the solder and incorporated into the intermetallic. As the concentration of this constituent decreases, the original intermetallic at the interface becomes a nonequilibrium phase, and the spalling of the original intermetallic occurs.

  8. Low temperature properties of some Er-rich intermetallic compounds

    SciTech Connect

    K.A. Gshneidner,jr; A.O. Pecharsky; L.Hale; V.K. Pecharsky

    2004-09-30

    The low temperature volumetric heat capacity ({approx}3.5 to 350 K) and magnetic susceptibility ({approx}4 to 320 K) of Er{sub 3}Rh, Er{sub 3}Ir, Er{sub 3}Pt, Er{sub 2}Al, and Er{sub 2}Sn have been measured. All of the compounds order antiferromagnetically (or ferrimagnetically), and most exhibit more than one magnetic ordering transition. The volumetric heat capacities in general are smaller than those of the prototype magnetic regenerator materials, except for Er{sub 3}Ir in the 12 to 14 K temperature range.

  9. Long-Term Behavior of the Tritides Formed by Nickel-Based Intermetallic Compounds

    SciTech Connect

    Bowman, Jr., R. C.; Steinmeyer, R. H.; Matson, L. K.; Attalla, A.; Craft, B. D.

    1985-04-01

    Some properties of the tritide phases formed by the intermetallic compounds Mg2Ni, ZrNi, and LaNi5 have been studied. Whereas ZrNiT3 will retain its stoichiometry indefinitely when sufficient gaseous tritium is available, the stoichiometries of Mg2NiT4 and LaNi5T6.9 decrease with time. Although all three intermetallic tritides can retain large quantities of the helium-3 tritium decay daughter product in the solid phase, irreversible release of helium begins after several hundred days for ZrNiTx and Mg2NiTx. However, LaNi5Tx retains all of the helium generated in the solid for at least 2400 days. NMR measurements for ZrNiTx and Mg2NiTx imply that helium is retained in microscopic bubbles as previously observed in several binary metal tritides.

  10. Characterization of second-phase plates in a Gd5Ge3 intermetallic compound

    SciTech Connect

    Cao, Qing; Chumbley, Leonard S.

    2013-05-16

    Rare-earth compounds based on the stoichiometry R5(SixGe1-x)4 (R = rare-earth elements) exhibit many unusual features, including possessing R5(SixGe1-x)3 thin plates which always precipitate from the matrix despite efforts to suppress their formation. In an effort to better understand the unique relationship between these two intermetallic alloy systems, the bulk microstructure of the compound Gd5Ge3 was examined using scanning (SEM) and transmission electron microscopy (TEM) and optical microscopy. Surprisingly, SEM examination revealed a series of thin plates present in the Gd5Ge3 matrix similar to what is seen in Gd5Ge4. TEM observation revealed that a role reversal had occurred, with the thin plates possessing the orthorhombic structure and composition of Gd5Ge4. The orientation relationship between Gd5Ge4 thin plates and the Gd5Ge3 matrix was determined to be Graphic the same relationship reported for Gd5Ge3 plates precipitating from a Gd5Ge4 matrix. However, by exchanging the respective roles of the phases as regards matrix vs. precipitate, the total number of precipitation variants seen can be increased from two to six. The persistence with which these two intermetallic systems co-exist is truly unique. However, understanding exactly the kinetic and thermodynamic conditions that lead to their unique relationship is hampered by the high formation temperatures at which the observed reaction occurs.

  11. Degradation behavior of Ca-Mg-Zn intermetallic compounds for use as biodegradable implant materials.

    PubMed

    Hagihara, Koji; Shakudo, Shuhei; Fujii, Kenta; Nakano, Takayoshi

    2014-11-01

    With the goal of developing new biodegradable implant materials, we have investigated the degradation behavior of (Ca, Mg)-based intermetallic compounds. The degradation behavior of the compounds within the Ca-Mg-Zn system was roughly classified into four groups, and their behaviors were strongly influenced by the compositions of the compounds. For example, the Ca3MgxZn(15-x) compound exhibited a large solubility region with varying the Mg/Zn ratio, and the Ca3Mg12Zn3 phase alloy with the lowest Zn content was rapidly broken apart within 6h of immersion. Alternatively, the Ca3Mg4.6Zn10.4 phase alloy with the highest Zn content retained the bulk shape even after 250 h of immersion. These varying degradation behaviors were ascribed to the difference in the formability of Zn oxide as a protective layer against corrosion on the specimen surfaces, depending on the Zn content. The gained results suggest that there is a feasibility on developing new biodegradable materials based on intermetallic compounds in which the degradation rate can be controlled by their compositions.

  12. Recent advances in nanocrystalline intermetallic tin compounds for the negative electrode of lithium ion batteries

    NASA Astrophysics Data System (ADS)

    Alcántara, Ricardo; Nwokeke, Uche G.; Nacimiento, Francisco; Lavela, Pedro; Tirado, José L.

    2011-06-01

    Intermetallic compounds of tin and first-row transition metals have been considered as potential anode materials for Li-ion batteries that could improve the performance of pure tin. Particularly, the solids dispersed at the nano scale provide interesting behavior. Thus CoSn, FeSn2 and CoSn3 nanocrystalline samples have been obtained at low temperatures. As compared with micrometric particles of CoSn, significantly higher reversible capacities are found for nanocrystalline CoSn. For nanocrystalline CoSn3 maximum reversible capacities of 690 mAh g-1 were observed in lithium test cells. Nanocrystalline products in the series CoSn2-FeSn2 could be prepared by chemical reduction in polyol solvents using a "one-pot" method. Superparamagnetic nanocrystalline FeSn2 delivers reversible capacities of ca. 600 mAhg-1 by the formation of LixSn phases and superparamagnetic iron nanoparticles. A comparison between the properties of nano- FeSn2 and micro-FeSn2 shows a significantly better electrochemical behavior and electrode stability for the nanocrystalline material. For Fe1-xCoxSn2 solid solutions with x= 0.25, 0.3, 0.5, 0.6 and 0.8, particle diameters of about 20 nm and different morphologies were obtained. The substitution of iron by cobalt induces a contraction of the unit cell volume and the hyperfine parameters of the 57Fe Mössbauer spectra reveal a superparamagnetic behavior. The intermediate compositions exhibit better electrochemical performance than the limit compositions CoSn2 and FeSn2. To improve the performance of CoSnx intermetallics, composites in which the nanocrystalline intermetallic material is embedded in an amorphous layer based on the polyacrylonitrile (PAN) polymer were used. The PAN shell contributes to stabilize the intermetallic phases upon electrochemical cycling.

  13. Determining factor of median diameter in intermetallic compound nanoparticles prepared by pulsed wire discharge

    NASA Astrophysics Data System (ADS)

    Nagasawa, Shinobu; Koishi, Tetsuya; Tokoi, Yoshinori; Suzuki, Tsuneo; Nakayama, Tadachika; Suematsu, Hisayuki; Niihara, Koichi

    2014-02-01

    The preparation of NiAl intermetallic compound nanoparticles was carried out by pulsed wire discharge (PWD) using twisted pure Ni and Al wires in N2 ambient gas with varying number of turns of the wire (Nt), energy ratio (K), and ambient gas pressure (P). From the voltage and current waveforms during the wire heating, the energy deposition ratio up to the voltage peak (Kp) was calculated. It increased with an increase in Nt to 0.4 turns/mm and with increases in K and P. Under all the conditions, with an increase in Kp, the Ni composition ratio of the prepared particles (CNi) became closer to that of the wire (= 51.2 mol %). Furthermore, the collection rate (Rc) increased and the median particle diameter (d50) decreased. In particular, the change in d50 due to the change in Nt was not predicted by the relationship of d50 and Dth in our previous report. Single-phase NiAl intermetallic compound nanoparticles were successfully prepared under the condition in which Nt is 0.4 turns/mm, K is 3.4, and P is 100 kPa, where relatively high value of Kp was obtained. From these results, Kp was determined to be an important factor that determines the composition, collection rate, and median diameter of intermetallic compound nanoparticles synthesized by PWD using different kinds of twisted wires under various experimental conditions. This may be because of the selective wire heating in high-resistance parts that are associated with the introduction of lattice defects and/or necks by overwinding.

  14. Brittle intermetallic compound makes ultrastrong low-density steel with large ductility.

    PubMed

    Kim, Sang-Heon; Kim, Hansoo; Kim, Nack J

    2015-02-01

    Although steel has been the workhorse of the automotive industry since the 1920s, the share by weight of steel and iron in an average light vehicle is now gradually decreasing, from 68.1 per cent in 1995 to 60.1 per cent in 2011 (refs 1, 2). This has been driven by the low strength-to-weight ratio (specific strength) of iron and steel, and the desire to improve such mechanical properties with other materials. Recently, high-aluminium low-density steels have been actively studied as a means of increasing the specific strength of an alloy by reducing its density. But with increasing aluminium content a problem is encountered: brittle intermetallic compounds can form in the resulting alloys, leading to poor ductility. Here we show that an FeAl-type brittle but hard intermetallic compound (B2) can be effectively used as a strengthening second phase in high-aluminium low-density steel, while alleviating its harmful effect on ductility by controlling its morphology and dispersion. The specific tensile strength and ductility of the developed steel improve on those of the lightest and strongest metallic materials known, titanium alloys. We found that alloying of nickel catalyses the precipitation of nanometre-sized B2 particles in the face-centred cubic matrix of high-aluminium low-density steel during heat treatment of cold-rolled sheet steel. Our results demonstrate how intermetallic compounds can be harnessed in the alloy design of lightweight steels for structural applications and others.

  15. Development of Cu alloy anode and separator coated with Al-Ni intermetallic compound

    SciTech Connect

    Toyokura, K.; Hoshino, K.; Yamamoto, M.

    1996-12-31

    Anode made of Cu alloy and separator coated with Al-Ni intermetallic compound have been developed for VCFC. Anode of Ni alloy is usually used. However, the alternative of cost lower than Ni alloy anode should be needed, because Ni is expensive. Cu is attractive as an anode material for VCFC because it is inexpensive and electrochemically noble. However, the creep resistance of Cu is not sufficient, compared with Ni alloy. In this study, strengthening due to oxide-dispersed microstructure has been developed in Cu-Ni-Al alloy with the two-step sintering process. A wet-seal technique has been widely applied for gas-sealing and supporting of electrolyte in MCFC. Since the wet-seal area is exposed to a severe corrosive environment, corrosion resistance of material for wet sealing is related with the cell performance. Al-Ni plating with post-heat treating for stainless steel has been investigated. Stainless steel substrate was plated with Al after being coated with Ni, then heat-treated at 750 {degrees}C for 1 hour in Ar gas atmosphere. Due to the treatment, Al-Ni intermetallic compound ( mainly Al3Ni2 ) layer is formed on stainless steel surface. The long-term immersion test was carried out till 14,500 hours in 62 mol% Li{sub 2}CO{sub 3}-38 mol% K{sub 2}CO{sub 3} at 650 {degrees}C under air-30%CO{sub 2} atmosphere, for the purpose of evaluating the corrosion resistance and thermal stability of Al-Ni intermetallic compound layer in actual generating with VCFC.

  16. Confinement Effects on Evolution of Intermetallic Compounds During Metallurgical Joint Formation

    NASA Astrophysics Data System (ADS)

    Park, M. S.; Gibbons, S. L.; Arróyave, R.

    2014-07-01

    In this work, we compare the microstructural evolution of Sn/Cu/Sn and Cu/Sn/Cu `sandwich' configurations under metallurgical bonding conditions. These simulations are relevant in explaining experimental observations that suggest that the resulting dominant intermetallic compound in Cu-Sn systems depends on the relative supply of Cu and Sn. Through the analysis of morphological evolution and growth rate, it is shown that the Cu6Sn5 layer becomes dominant in the Sn/Cu/Sn structure, while the Cu/Sn/Cu structure is dominated by Cu3Sn after extended reaction periods.

  17. Properties Evaluation and Studying Production Mechanism of Nanocrystalline NiAl Intermetallic Compound by Mechanical Alloying

    NASA Astrophysics Data System (ADS)

    Khajesarvi, Ali; Akbari, Golamhossein

    2016-04-01

    Ni50Al50 intermetallic compound was synthesized by mechanical alloying (MA) of elemental mixtures of Ni and Al powders in a planetary ball mill. After 16 hours of milling and obtaining crystallites with a critical size, the initial NiAl compound was formed along with the combustive reaction after opening the vial lid. In the time interval of 16 to 128 hours, the reaction from combustive state reached the explosive state. Finally, after 128 hours of milling, the initial powders were wholly transformed into NiAl before completion of the milling time. Structural changes of powder particles during MA were studied by X-ray diffractometry and scanning electron microscopy. The crystallite size measurements revealed that the grain size of the NiAl phase decreased from 155 to 26 nm with increasing MA time from 8 to 128 hours. Microhardness for nanocrystalline Ni50Al50 intermetallic compound produced after 128 hours of milling was measured as about 350 Hv.

  18. High hardness in the biocompatible intermetallic compound β-Ti3Au

    PubMed Central

    Svanidze, Eteri; Besara, Tiglet; Ozaydin, M. Fevsi; Tiwary, Chandra Sekhar; Wang, Jiakui K.; Radhakrishnan, Sruthi; Mani, Sendurai; Xin, Yan; Han, Ke; Liang, Hong; Siegrist, Theo; Ajayan, Pulickel M.; Morosan, E.

    2016-01-01

    The search for new hard materials is often challenging, but strongly motivated by the vast application potential such materials hold. Ti3Au exhibits high hardness values (about four times those of pure Ti and most steel alloys), reduced coefficient of friction and wear rates, and biocompatibility, all of which are optimal traits for orthopedic, dental, and prosthetic applications. In addition, the ability of this compound to adhere to ceramic parts can reduce both the weight and the cost of medical components. The fourfold increase in the hardness of Ti3Au compared to other Ti–Au alloys and compounds can be attributed to the elevated valence electron density, the reduced bond length, and the pseudogap formation. Understanding the origin of hardness in this intermetallic compound provides an avenue toward designing superior biocompatible, hard materials. PMID:27453942

  19. High hardness in the biocompatible intermetallic compound β-Ti3Au.

    PubMed

    Svanidze, Eteri; Besara, Tiglet; Ozaydin, M Fevsi; Tiwary, Chandra Sekhar; Wang, Jiakui K; Radhakrishnan, Sruthi; Mani, Sendurai; Xin, Yan; Han, Ke; Liang, Hong; Siegrist, Theo; Ajayan, Pulickel M; Morosan, E

    2016-07-01

    The search for new hard materials is often challenging, but strongly motivated by the vast application potential such materials hold. Ti3Au exhibits high hardness values (about four times those of pure Ti and most steel alloys), reduced coefficient of friction and wear rates, and biocompatibility, all of which are optimal traits for orthopedic, dental, and prosthetic applications. In addition, the ability of this compound to adhere to ceramic parts can reduce both the weight and the cost of medical components. The fourfold increase in the hardness of Ti3Au compared to other Ti-Au alloys and compounds can be attributed to the elevated valence electron density, the reduced bond length, and the pseudogap formation. Understanding the origin of hardness in this intermetallic compound provides an avenue toward designing superior biocompatible, hard materials. PMID:27453942

  20. Intermetallic nanoparticles

    SciTech Connect

    Singh, Dileep; Yusufoglu, Yusuf; Timofeeva, Elena; Routbort, Jules

    2015-07-14

    A process for preparing intermetallic nanoparticles of two or more metals is provided. In particular, the process includes the steps: a) dispersing nanoparticles of a first metal in a solvent to prepare a first metal solution, b) forming a reaction mixture with the first metal solution and a reducing agent, c) heating the reaction mixture to a reaction temperature; and d) adding a second metal solution containing a salt of a second metal to the reaction mixture. During this process, intermetallic nanoparticles, which contain a compound with the first and second metals are formed. The intermetallic nanoparticles with uniform size and a narrow size distribution is also provided. An electrochemical device such as a battery with the intermetallic nanoparticles is also provided.

  1. Intermetallic nanoparticles

    SciTech Connect

    Singh, Dileep; Yusufoglu, Yusuf; Timofeeva, Elena; Routbort, Jules L.

    2015-11-20

    A process for preparing intermetallic nanoparticles of two or more metals is provided. In particular, the process includes the steps: a) dispersing nanoparticles of a first metal in a solvent to prepare a first metal solution, b) forming a reaction mixture with the first metal solution and a reducing agent, c) heating the reaction mixture to a reaction temperature; and d) adding a second metal solution containing a salt of a second metal to the reaction mixture. During this process, intermetallic nanoparticles, which contain a compound with the first and second metals are formed. The intermetallic nanoparticles with uniform size and a narrow size distribution is also provided. An electrochemical device such as a battery with the intermetallic nanoparticles is also provided.

  2. Surface structures of In-Pd intermetallic compounds. II. A theoretical study

    SciTech Connect

    Gaudry, É.; McGuirk, G. M.; Ledieu, J.; Fournée, V.

    2014-08-28

    The (110) surface of the InPd intermetallic compound and the In–Pd surface alloy properties are investigated in the framework of the density functional theory, within the projector augmented plane-wave method. Surface segregation is calculated to be energetically unfavorable at stoichiometric InPd(110) surfaces, while indium antisites are shown to segregate to the surface in off-stoichiometric InPd(110) systems. Concerning surface alloys obtained by burying In-doped Pd layers in Pd(111), we demonstrated that the most stable ones are those presenting atomic indium concentrations below 50 at. % (11 at. %, 25 at. %, 33 at. %). According to our calculations, the In-doped Pd layers with concentration above or equal to 50% lead to In-doped Pd multilayers, each presenting an atomic indium concentration below 50 at. %. Alloying and segregation effects in InPd intermetallic compound and In–Pd surface alloys clearly agree with the larger bonding strength of In–Pd (−0.44 eV) compared to In–In (−0.29 eV) and Pd–Pd (−0.31 eV)

  3. First principles calculations of the optical and plasmonic response of Au alloys and intermetallic compounds

    NASA Astrophysics Data System (ADS)

    Keast, V. J.; Barnett, R. L.; Cortie, M. B.

    2014-07-01

    Pure Au is widely used in plasmonic applications even though its use is compromised by significant losses due to damping. There are some elements that are less lossy than Au (e.g. Ag or Al) but they will normally oxidize or corrode under ambient conditions. Here we examine whether alloying Au with a second element would be beneficial for plasmonic applications. In order to evaluate potential alternatives to pure Au, the density of states (DOS), dielectric function and plasmon quality factor have been calculated for alloys and compounds of Au with Al, Cd, Mg, Pd, Pt, Sn, Ti, Zn and Zr. Substitutional alloying of Au with Al, Cd, Mg and Zn was found to slightly improve the plasmonic response. Of the large number of intermetallic compounds studied, only AuAl2, Au3Cd, AuMg, AuCd and AuZn were found to be suitable for plasmonic applications.

  4. Synthesis, crystal structure, and magnetic properties of novel intermetallic compounds R2Co2SiC (R = Pr, Nd).

    PubMed

    Zhou, Sixuan; Mishra, Trinath; Wang, Man; Shatruk, Michael; Cao, Huibo; Latturner, Susan E

    2014-06-16

    The intermetallic compounds R2Co2SiC (R = Pr, Nd) were prepared from the reaction of silicon and carbon in either Pr/Co or Nd/Co eutectic flux. These phases crystallize with a new stuffed variant of the W2CoB2 structure type in orthorhombic space group Immm with unit cell parameters a = 3.978(4) Å, b = 6.094(5) Å, c = 8.903(8) Å (Z = 2; R1 = 0.0302) for Nd2Co2SiC. Silicon, cobalt, and carbon atoms form two-dimensional flat sheets, which are separated by puckered layers of rare-earth cations. Magnetic susceptibility measurements indicate that the rare earth cations in both analogues order ferromagnetically at low temperature (TC ≈ 12 K for Nd2Co2SiC and TC ≈ 20 K for Pr2Co2SiC). Single-crystal neutron diffraction data for Nd2Co2SiC indicate that Nd moments initially align ferromagnetically along the c axis around ∼12 K, but below 11 K, they tilt slightly away from the c axis, in the ac plane. Electronic structure calculations confirm the lack of spin polarization for Co 3d moments. PMID:24898034

  5. Synthesis, crystal structure, and magnetic properties of novel intermetallic compounds R2Co2SiC (R = Pr, Nd).

    PubMed

    Zhou, Sixuan; Mishra, Trinath; Wang, Man; Shatruk, Michael; Cao, Huibo; Latturner, Susan E

    2014-06-16

    The intermetallic compounds R2Co2SiC (R = Pr, Nd) were prepared from the reaction of silicon and carbon in either Pr/Co or Nd/Co eutectic flux. These phases crystallize with a new stuffed variant of the W2CoB2 structure type in orthorhombic space group Immm with unit cell parameters a = 3.978(4) Å, b = 6.094(5) Å, c = 8.903(8) Å (Z = 2; R1 = 0.0302) for Nd2Co2SiC. Silicon, cobalt, and carbon atoms form two-dimensional flat sheets, which are separated by puckered layers of rare-earth cations. Magnetic susceptibility measurements indicate that the rare earth cations in both analogues order ferromagnetically at low temperature (TC ≈ 12 K for Nd2Co2SiC and TC ≈ 20 K for Pr2Co2SiC). Single-crystal neutron diffraction data for Nd2Co2SiC indicate that Nd moments initially align ferromagnetically along the c axis around ∼12 K, but below 11 K, they tilt slightly away from the c axis, in the ac plane. Electronic structure calculations confirm the lack of spin polarization for Co 3d moments.

  6. Production method for making rare earth compounds

    DOEpatents

    McCallum, R. William; Ellis, Timothy W.; Dennis, Kevin W.; Hofer, Robert J.; Branagan, Daniel J.

    1997-11-25

    A method of making a rare earth compound, such as a earth-transition metal permanent magnet compound, without the need for producing rare earth metal as a process step, comprises carbothermically reacting a rare earth oxide to form a rare earth carbide and heating the rare earth carbide, a compound-forming reactant (e.g. a transition metal and optional boron), and a carbide-forming element (e.g. a refractory metal) that forms a carbide that is more thermodynamically favorable than the rare earth carbide whereby the rare earth compound (e.g. Nd.sub.2 Fe.sub.14 B or LaNi.sub.5) and a carbide of the carbide-forming element are formed.

  7. Production method for making rare earth compounds

    DOEpatents

    McCallum, R.W.; Ellis, T.W.; Dennis, K.W.; Hofer, R.J.; Branagan, D.J.

    1997-11-25

    A method of making a rare earth compound, such as a earth-transition metal permanent magnet compound, without the need for producing rare earth metal as a process step, comprises carbothermically reacting a rare earth oxide to form a rare earth carbide and heating the rare earth carbide, a compound-forming reactant (e.g., a transition metal and optional boron), and a carbide-forming element (e.g., a refractory metal) that forms a carbide that is more thermodynamically favorable than the rare earth carbide whereby the rare earth compound (e.g., Nd{sub 2}Fe{sub 14}B or LaNi{sub 5}) and a carbide of the carbide-forming element are formed.

  8. Absence of the hyperfine magnetic field at the Ru site in ferromagnetic rare-earth intermetallics

    SciTech Connect

    Coffey, D.; DeMarco, M.; Ho, P. C.; Maple, M. B.; Sayles, T.; Lynn, J. W.; Huang, Q.; Toorongian, S.; Haka, M.

    2010-05-01

    The Moessbauer effect (ME) is frequently used to investigate magnetically ordered systems. One usually assumes that the magnetic order induces a hyperfine magnetic field, B{sub hyperfine}, at the ME active site. This is the case in the ruthenates, where the temperature dependence of B{sub hyperfine} at {sup 99}Ru sites tracks the temperature dependence of the ferromagnetic or antiferromagnetic order. However this does not happen in the rare-earth intermetallics, GdRu{sub 2} and HoRu{sub 2}. Specific heat, magnetization, magnetic susceptibility, Moessbauer effect, and neutron diffraction have been used to study the nature of the magnetic order in these materials. Both materials are found to order ferromagnetically at 83.1 and 15.3 K, respectively. Despite the ferromagnetic order of the rare-earth moments in both systems, there is no evidence of a correspondingly large B{sub hyperfine} in the Moessbauer spectrum at the Ru site. Instead the measured spectra consist of a narrow peak at all temperatures which points to the absence of magnetic order. To understand the surprising absence of a transferred hyperfine magnetic field, we carried out ab initio calculations which show that spin polarization is present only on the rare-earth site. The electron spin at the Ru sites is effectively unpolarized and, as a result, B{sub hyperfine} is very small at those sites. This occurs because the 4d Ru electrons form broad conduction bands rather than localized moments. These 4d conduction bands are polarized in the region of the Fermi energy and mediate the interaction between the localized rare-earth moments.

  9. Application of random walk concept to the cyclic diffusion mechanisms for self-diffusion in intermetallic compounds

    NASA Astrophysics Data System (ADS)

    Tiwari, G. P.; Mehrotra, R. S.; Iijima, Y.

    2014-02-01

    Huntington-Elcock-McCombie (HEM) mechanism involving six consecutive and correlated jumps, a triple-defect mechanism (TDM) involving three correlated jumps and an anti-structure bridge (ASB) mechanism invoking the migration of an anti-structure atom are the three mechanisms currently in vogue to explain the self- and solute diffusion in intermetallic compounds. Among them, HEM and TDM are cyclic in nature. The HEM and TDM constitute the theme of the present article. The concept of random walk is applied to them and appropriate expressions for the diffusion coefficient are derived. These equations are then employed to estimate activation energies for self-diffusion via HEM and TDM processes and compared with the available experimental data on activation energy for self-diffusion in intermetallic compounds. The resulting activation energies do not favour HEM and TDM for the self-diffusion in intermetallic compounds. A comparison of the sum of experimentally determined activation energies for vacancy formation and migration with the activation energies for self-diffusion determined from radioactive tracer method favours the conventional monovacancy-mediated process for self-diffusion in intermetallic compounds.

  10. Effect of Intermetallic Compound Phases on the Mechanical Properties of the Dissimilar Al/Cu Friction Stir Welded Joints

    NASA Astrophysics Data System (ADS)

    Khodir, S. A.; Ahmed, M. M. Z.; Ahmed, Essam; Mohamed, Shaymaa M. R.; Abdel-Aleem, H.

    2016-09-01

    Types and distribution of intermetallic compound phases and their effects on the mechanical properties of dissimilar Al/Cu friction stir welded joints were investigated. Three different rotation speeds of 1000, 1200 and 1400 rpm were used with two welding speeds of 20 and 50 mm/min. The results show that the microstructures inside the stir zone were greatly affected by the rotation speed. Complex layered structures that containing intermetallic compound phases such as CuAl2, Al4Cu9 were formed in the stir zone. Their amount found to be increased with increasing rotation speed. However, the increasing of the rotation speed slightly lowered the hardness of the stir zone. Many sharp hardness peaks in the stir zones were found as a result of the intermetallic compounds formed, and the highest peaks of 420 Hv were observed at a rotation speed of 1400 rpm. The joints ultimate tensile strength reached a maximum value of 105 MPa at the rotation speed of 1200 rpm and travel speed of 20 mm/min with the joint efficiency ranged between 88 and 96% of the aluminum base metal. At the travel speed of 50 mm/min, the maximum value of the ultimate tensile strength was 96 MPa at rotation speed of 1400 rpm with the joint efficiency ranged between 79 and 90%. The fracture surfaces of tensile test specimens showed no evidence for the effect of the brittle intermetallic compounds in the stir zones on the tensile strength of the joints.

  11. Microstructural Evolution of Intermetallic Compounds in TCNCP Cu Pillar Solder Joints

    NASA Astrophysics Data System (ADS)

    Liang, Chien-Lung; Lin, Kwang-Lung; Peng-Wei, Jr.

    2016-01-01

    This study investigated the microstructure, especially intermetallic compounds (IMCs), formed between a Cu pillar and Cu trace joined by thermal compression bonding with nonconductive paste (NCP). Continuous, uniform layers of Cu3Sn formed on the surface of both the Cu pillar and Cu trace. However, the growth of Cu6Sn5 was suppressed, forming nonuniformly on the Cu trace due to NCP filler entrapment at the Cu-solder interface that hindered Sn diffusion flux. Multireflow induced rapid growth of IMCs within the Cu pillar solder joint. The combination of multireflow and thermal cycle testing gave rise to asymmetric growth of IMCs between the chip side and substrate side as a result of stress migration induced by thermal cycling.

  12. Gas atomization synthesis of refractory or intermetallic compounds and supersaturated solid solutions

    DOEpatents

    Anderson, Iver E.; Lograsso, Barbara K.; Ellis, Timothy W.

    1994-01-01

    A metallic melt is atomized using a high pressure atomizing gas wherein the temperature of the melt and the composition of the atomizing gas are selected such that the gas and melt react in the atomization spray zone to form a refractory or intermetallic compound in the as-atomized powder particles. A metallic melt is also atomized using a high pressure atomizing gas mixture gas wherein the temperature of the melt and the ratio of a reactive gas to a carrier gas are selected to form powder particles comprising a supersaturated solid solution of the atomic species of the reactive gas in the particles. The powder particles are then heat treated to precipitate dispersoids in-situ therein to form a dispersion strengthened material.

  13. Gas atomization synthesis of refractory or intermetallic compounds and supersaturated solid solutions

    DOEpatents

    Anderson, I.E.; Lograsso, B.K.; Ellis, T.W.

    1994-11-29

    A metallic melt is atomized using a high pressure atomizing gas wherein the temperature of the melt and the composition of the atomizing gas are selected such that the gas and melt react in the atomization spray zone to form a refractory or intermetallic compound in the as-atomized powder particles. A metallic melt is also atomized using a high pressure atomizing gas mixture gas wherein the temperature of the melt and the ratio of a reactive gas to a carrier gas are selected to form powder particles comprising a supersaturated solid solution of the atomic species of the reactive gas in the particles. The powder particles are then heat treated to precipitate dispersoids in-situ therein to form a dispersion strengthened material. 9 figures.

  14. Intermetallic Compound Formation Mechanisms for Cu-Sn Solid-Liquid Interdiffusion Bonding

    NASA Astrophysics Data System (ADS)

    Liu, H.; Wang, K.; Aasmundtveit, K. E.; Hoivik, N.

    2012-09-01

    Cu-Sn solid-liquid interdiffusion (SLID) bonding is an evolving technique for wafer-level packaging which features robust, fine pitch and high temperature tolerance. The mechanisms of Cu-Sn SLID bonding for wafer-level bonding and three-dimensional (3-D) packaging applications have been studied by analyzing the microstructure evolution of Cu-Sn intermetallic compounds (IMCs) at elevated temperature up to 400°C. The bonding time required to achieve a single IMC phase (Cu3Sn) in the final interconnects was estimated according to the parabolic growth law with consideration of defect-induced deviation. The effect of predominantly Cu metal grain size on the Cu-Sn interdiffusion rate is discussed. The temperature versus time profile (ramp rate) is critical to control the morphology of scallops in the IMC. A low temperature ramp rate before reaching the bonding temperature is believed to be favorable in a SLID wafer-level bonding process.

  15. Multiconfigurational nature of 5f orbitals in uranium and plutonium and their intermetallic compounds

    NASA Astrophysics Data System (ADS)

    Booth, Corwin

    2013-03-01

    The structural, electronic, and magnetic properties of U and Pu elements and intermetallics remain poorly understood despite decades of effort, and currently represent an important scientific frontier toward understanding matter. The last decade has seen great progress both due to the discovery of superconductivity in PuCoGa5 and advances in theory that finally can explain fundamental ground state properties in elemental plutonium, such as the phonon dispersion curve, the non-magnetic ground state, and the volume difference between the α and δ phases. A new feature of the recent calculations is the presence not only of intermediate valence of the Pu 5f electrons, but of multiconfigurational ground states, where the different properties of the α and δ phases are primarily governed by the different relative weights of the 5f4, 5f5, and 5f6 electronic configurations. The usual method for measuring multiconfigurational states in the lanthanides is to measure the lanthanide LIII-edge x-ray absorption near-edge structure (XANES), a method that is severely limited for the actinides because the spectroscopic features are not well enough separated. Advances in resonant x-ray emission spectroscopy (RXES) have now allowed for spectra with sufficient resolution to resolve individual resonances associated with the various actinide valence states. Utilizing a new spectrometer at the Stanford Synchrotron Radiation Lightsource (SSRL), RXES data have been collected that show, for the first time, spectroscopic signatures of each of these configurations and their relative changes in various uranium and plutonium intermetallic compounds. In combination with conventional XANES spectra on related compounds, these data indicate such states may be ubiquitous in uranium and plutonium intermetallics, providing a new framework toward understanding properties ranging from heavy fermion behavior, superconductivity, and intermediate valence to mechanical and fundamental bonding behavior in

  16. Fundamental study about CO2 laser welding of titanium aluminide intermetallic compound

    NASA Astrophysics Data System (ADS)

    Kuwahara, Gaku; Yamaguchi, Shigeru; Nanri, Kenzo; Ootani, Masanori; Tetsuka, Masato; Seto, Sachio; Arai, Mikiya; Fujioka, Tomoo

    2000-11-01

    Titanium aluminide intermetallic compound is attracting attentions as heat-resistant and high-specific strength material in the next generation, especially, it is promising material in the field of aerospace components. Conventional machining process including welding, however, can be hardly applied due to its very low ductility. The objective of this study, as a first stage, is to find out paying attention to crack and hardness the fundamental good conditions of the bead-on-plate welding of TiAl intermetallic compound using CO2 laser irradiation. In the experiment, we used the casting gamma titanium aluminide contained iron, vanadium and boron with a thickness of 2mm. We carried out bead-on-plate laser welding in the titanium aluminide material in inert gas environment filled with argon. We measured fused depth, Vickers hardness, transverse crack numbers and so on as major parameters of welding speed from 1000 to 4600 mm/min and initial temperature of specimen from R.T. to 873 K with a beam spot size of 0.5 mm and an output power of 1.5 kW. In addition, the specimens were analyzed by Electron Probe X-ray Micro Analyzer, Energy Dispersive X-ray Spectroscopy and X-ray Diffractometry. As a result of experiments, transverse crack-free welding was achieved, when initial temperature was at 873 K. In every condition, the value of Vickers hardness of fused zone increased compared with base. We think the reason of it is an increase of (alpha) 2(Ti3Al) phase, which is caused by rapid cooling, taking in Oxygen, fine structure and so on.

  17. Surface structure of the Ag-In-(rare earth) complex intermetallics

    NASA Astrophysics Data System (ADS)

    Hars, S. S.; Sharma, H. R.; Smerdon, J. A.; Yadav, T. P.; Al-Mahboob, A.; Ledieu, J.; Fournée, V.; Tamura, R.; McGrath, R.

    2016-05-01

    We present a study of the surface structure of the Ag-In-RE (RE: rare-earth elements Gd, Tb, and Yb) complex intermetallics using scanning tunneling microscopy and low-energy electron diffraction. The surface of the Ag-In-Yb approximant prepared by sputter-annealing methods under ultrahigh-vacuum conditions produces a flat (100) surface with no facets. However, the Ag-In-Gd and Ag-In-Tb 1/1 approximants, which have a surface miscut of about 12∘ relative to the (100) plane, develop surface facets along various crystallographic directions. The structure of each facet can be explained as a truncation of the rhombic triacontahedral clusters, i.e., the main building blocks of these systems. Despite their differences in atomic structure, symmetry, and density, the facets show common features. The facet planes are In rich. The analysis of the nearest-neighbor atom distances suggests that In atoms form bonds with the RE atoms, which we suggest is a key factor that stabilizes even low-density facet planes.

  18. Hydrogen occupancy in the RNi{sub 4}Mg (R=Y, La, Ce, and Nd) intermetallic compounds and hydrides

    SciTech Connect

    Hahn-Herrera, Otto; Orgaz, Emilio; Aburto, Andrea

    2009-10-15

    We have investigated the effect of hydrogen on the electronic strtucture of the RNi{sub 4}Mg (R=Y, La, Ce, Pr, and Nd) intermetallics. By means of a two-step approach, the projected plane-wave and linearized plane-waves methods, we studied the hydrogen-insertion energetics on the intermetallic matrix and the H-vacancy formation in the hydride compound. We found that particular interstitial sites in the intermetallics are suitable to allocate hydrogen and form a solid solution. The effect of these interstitials on the electronic structure is discussed. In the other hand, the hydrogen-occupied sites in the hydride are found to be energetically equivalent.

  19. Observation of superconductivity in the intermetallic compound β-IrSn4.

    PubMed

    Tran, Vinh Hung; Bukowski, Zbigniew; Wiśniewski, Piotr; Tran, Lan Maria; Zaleski, Andrzej J

    2013-04-17

    Low-temperature dc-magnetization, ac electrical resistivity and specific heat measurements were performed on single crystals of the intermetallic compound β-IrSn4. The compound crystallizes in the tetragonal MoSn4-type structure (space group I41/acd) and exhibits superconductivity below Tc = 0.9 ± 0.05 K. Further, the magnitude of the ratios ΔCp/(γnkBTc) = 1.29, 2Δ/(kBTc) = 3.55 and of the electron-phonon coupling λ[overline](e-ph) = 0.5 imply that superconductivity in β-IrSn4 can be ascribed to a s-wave weak coupling regime. We determined crucial thermodynamic characteristics of the superconducting state. It turned out that depending on the assumption of either a spherical or non-spherical Fermi surface, the superconductivity can be ascribed to either a type-I and type-II/1 or type-II in clean limit, respectively. However, the behavior of the upper critical field and the anisotropic crystalline structure of the studied compound provide strong support to the type-II superconductivity. In the normal state the resistivity exhibits a prominent quadratic temperature dependence, which together with a large Kadowaki-Woods ratio and with the enhanced effective mass indicate that the electrons in β-IrSn4 are strongly correlated.

  20. Atomic disorder induced by mechanical milling in the intermetallic compound CoAl

    NASA Astrophysics Data System (ADS)

    Di, L. M.; Bakker, H.; de Boer, F. R.

    1992-10-01

    The stoichiometric intermetallic compound CoAl with the CsCl-structure was subjected to ball milling. Structural changes during ball milling were studied by measurements of the magnetization and the lattice parameter. The behaviour of Coal upon milling turns out to be quite similar to that of CoGa. The increase of the magnetization and the decrease of the lattice parameter with the milling time show that, similar to CoGa, triple-defect disorder is generated by ball milling. By comparing the measured magnetization to the magnetization of Co xAl 100- x compounds with excess Co, the concentration of defects is derived for milled samples. In order to interpret our results, the existing experimental data of lattice parameters, X-ray densities calculated from the lattice parameters and macroscopic densities for Co xAl 100- x compounds were analyzed according to Edelin's equations. The defect volumes for vacancies and anti-site atoms obtained by fitting these experimental data have reasonable values. By means of the defect concentrations obtained from our magnetization measurements and the defect volumes by fitting the experimental data, the change of the lattice parameter was calculated by means of Edelin's equation. The agreement between the calculated lattice parameter and the measured lattice parameter is quite satisfactory.

  1. Effects of filling material and laser power on the formation of intermetallic compounds during laser-assisted friction stir butt welding of steel and aluminum alloys

    NASA Astrophysics Data System (ADS)

    Fei, Xinjiang; Jin, Xiangzhong; Peng, Nanxiang; Ye, Ying; Wu, Sigen; Dai, Houfu

    2016-11-01

    In this paper, two kinds of materials, Ni and Zn, are selected as filling material during laser-assisted friction stir butt welding of Q235 steel and 6061-T6 aluminum alloy, and their influences on the formation of intermetallic compounds on the steel/aluminum interface of the joints were first studied. SEM was used to analyze the profile of the intermetallic compound layer and the fractography of tensile fracture surfaces. In addition, EDS was applied to investigate the types of the intermetallic compounds. The results indicate that a thin iron-abundant intermetallic compound layer forms and ductile fracture mode occurs when Ni is added, but a thick aluminum-abundant intermetallic compound layer generates and brittle fracture mode occurs when Zn is added. So the tensile strength of the welds with Ni as filling material is greater than that with Zn as filling material. Besides, the effect of laser power on the formation of intermetallic compound layer when Ni is added was investigated. The preheated temperature field produced by laser beam in the cross section of workpiece was calculated, and the tensile strength of the joints at different laser powers was tested. Results show that only when suitable laser power is adopted, can suitable preheating temperature of the steel reach, then can thin intermetallic compound layer form and high tensile strength of the joints reach. Either excessive or insufficient laser power will reduce the tensile strength of the joints.

  2. Growth of a Au-Ni-Sn intermetallic compound on the solder-substrate interface after aging

    SciTech Connect

    Minor, Andrew M.; Morris, J.W., Jr.

    1999-12-16

    Au/Ni metallization has become increasingly common in microelectronic packaging when Cu pads are joined with Pb-Sn solder. The outermost Au layer serves to protect the pad from corrosion and oxidation and the Ni layer provides a diffusion barrier to inhibit detrimental growth of Cu-Sn intermetallics. As a result of reflowing eutectic Pb-Sn on top of Au/Ni metallization, the as-solidified joints have AuSn{sub 4} precipitates distributed throughout the bulk of the solder joint, and Ni{sub 3}Sn{sub 4} intermetallics at the interface. Recent work has shown that the Au-Sn redeposits onto the interface during aging, compromising the strength of the joint. The present work shows that the redeposited intermetallic layer is a ternary compound with stoichiometry Au{sub 0.5}Ni{sub 0.5}Sn{sub 4}. The growth of this intermetallic layer was investigated, and results show that the ternary compound is observed to grow after as little as 3 hours at 150 C and after 3 weeks at 150 C has grown to a thickness of 10 {micro}m. Additionally, methods for inhibiting the growth of the ternary layer were investigated and it was determined that multiple reflows, both with and without additional aging can substantially limit the thickness of the ternary layer.

  3. Possibility of Mg- and Ca-based intermetallic compounds as new biodegradable implant materials.

    PubMed

    Hagihara, Koji; Fujii, Kenta; Matsugaki, Aira; Nakano, Takayoshi

    2013-10-01

    Mg- or Ca-based intermetallic compounds of Mg2Ca, Mg2Si, Ca2Si and CaMgSi are investigated as possible new candidates for biodegradable implant materials, attempting to improve the degradation behavior compared to Mg and Ca alloys. The reactivity of Ca can be indeed reduced by the formation of compounds with Mg and Si, but its reactivity is still high for applications as an implant material. In contrast, Mg2Si shows a higher corrosion resistance than conventional Mg alloys while retaining biodegradability. In cytotoxicity tests under the severe condition conducted in this study, both pure Mg and Mg2Si showed relatively high cytotoxicity on preosteoblast MC3T3-E1. However, the cell viability cultured in the Mg2Si extract medium was confirmed to be better than that in a pure Mg extract medium in all the conditions investigated with the exception of the 10% extract medium, because of the lower corrosion rate of Mg2Si. The cytotoxicity derived from the Si ion was not significantly detected in the Mg2Si extract medium in the concentration level of ~70 mg/l measured in the present study. For aiming the practical application of Mg2Si as an implant material, however, its brittle nature must be improved.

  4. On the site preferences of ternary additions to triple defect B2 intermetallic compounds

    SciTech Connect

    Pike, L.M.; Chen, S.L.; Chang, Y.A.

    1995-12-31

    Knowledge of the site preference of ternary solute additions is essential to developing an understanding of how these solutes affect the properties of B2 intermetallic compounds. A quasichemical model will be presented which is able to predict the site preferences of dilute solute additions to triple defect B2 compounds. The only parameters required are enthalpies of formation at the stoichiometric composition. General equations are developed which can be used to determine site occupations and defect concentrations for dilute as well as non-dilute solute additions. These equations use atom pair bond enthalpies as the parameters. It is found that the site preferences of dilute additions are not always in agreement with predictions based on the solubility lobes in ternary Gibbs isotherms, Predictions for dilute additions to NiAl and FeAl are compared to experimental results found in the literature. Satisfactory correlation is found between the model and the experimental results. In addition, the predictions from the model on vacancy concentrations in Fe doped NiAl are compared to recent experimental results by the authors.

  5. Oxidation behavior of plasma sintered beryllium-titanium intermetallic compounds as an advanced neutron multiplier

    NASA Astrophysics Data System (ADS)

    Kim, Jae-Hwan; Nakamichi, Masaru

    2013-07-01

    Beryllium intermetallic compounds (beryllides) such as Be12Ti are very promising candidates for advanced neutron multiplier materials in a demonstration fusion power reactor (DEMO). However, beryllides are too brittle to be fabricated either into pebble-type or rod-type shapes via conventional methods (i.e. arc melting and hot isostatic pressing). We have proposed a plasma sintering technique as a new method for beryllide fabrication, and our studies on the properties of plasma sintered beryllides are ongoing. In the present work, the oxidation properties of plasma sintered beryllides were investigated at 1273 K for 24 h in a dry air atmosphere to evaluate the high temperature properties of this material. Thermal gravimetry measurements indicate that specimens with larger fractions of Be12Ti phase corresponding to samples that have been sintered for longer time periods, exhibit superior oxidation properties. Our evaluation of the oxidation behavior of each phase in our beryllide samples is as follows: Be12Ti and Be17Ti2 both have good oxidation resistance, owing to the formation of dense and protective scales, while the Be and Be2Ti phases are mainly responsible for thermal-gravimetry (TG) weight gains, which is indicative of severe oxidation. We attribute the degradation in oxidation resistance specifically to Be2Ti that transforms into TiO2, and also find this phase to be the cause of deterioration in the mechanical properties of samples, owing to cracks near Be2Ti phase conglomerates.

  6. Growth kinetics of Al–Fe intermetallic compounds during annealing treatment of friction stir lap welds

    SciTech Connect

    Movahedi, M.; Kokabi, A.H.; Seyed Reihani, S.M.; Najafi, H.; Farzadfar, S.A.; Cheng, W.J.; Wang, C.J.

    2014-04-01

    In this study, we explored the growth kinetics of the Al–Fe intermetallic (IM) layer at the joint interface of the St-12/Al-5083 friction stir lap welds during post-weld annealing treatment at 350, 400 and 450 °C for 30 to 180 min. Optical microscope (OM), field emission gun scanning electron microscope (FEG-SEM) and transmission electron microscope (TEM) were employed to investigate the structure of the weld zone. The thickness and composition of the IM layers were evaluated using image analysis system and electron back-scatter diffraction (EBSD), respectively. Moreover, kernel average misorientation (KAM) analysis was performed to evaluate the level of stored energy in the as-welded state. The results showed that the growth kinetics of the IM layer was not governed by a parabolic diffusion law. Presence of the IM compounds as well as high stored energy near the joint interface of the as-welded sample was recognized to be the origin of the observed deviation from the parabolic diffusion law. - Highlights: • This work provided a new insight into growth kinetics of Al–Fe IM thickness. • The growth kinetics of IM layer was not governed by a parabolic diffusion law. • IM near the joint interface was the origin of deviation from the parabolic law. • High stored energy at joint interface was origin of deviation from parabolic law.

  7. Discovery and characterization of magnetism in sigma-phase intermetallic Fe-Re compounds

    SciTech Connect

    Cieślak, J. Dubiel, S. M.; Tobola, J.; Reissner, M.

    2014-11-14

    Systematic experimental studies (vibrating sample magnetometry) supported by theoretical calculations (electronic structure by spin self-consistent Korringa-Kohn-Rostoker Green's function method) were performed on a series of intermetallic sigma-phase Fe{sub 100−x}Re{sub x} (x = 43–53) compounds. All investigated samples exhibit magnetism with an ordering temperature ranging between ∼65 K for x = 43 and ∼23 K for x = 53. The magnetism was revealed to be itinerant and identified as a spin-glass (SG) possibly having a re-entrant character. The SG was found to be heterogeneous, viz., two regimes could be distinguished as far as irreversibility in temperature dependence of magnetization is concerned: (1) of a weak irreversibility and (2) of a strong one. According to the theoretical calculations, the main contribution to the magnetism comes from Fe atoms occupying all five sub lattices, while Re atoms have rather small magnetic moments. However, the calculated average magnetic moments highly (ferromagnetic ordering model) or moderately (antiparallel ordering model) overestimate the experimental data.

  8. Charge transfer on the metallic atom-pair bond, and the crystal structures adopted by intermetallic compounds.

    PubMed

    Rajasekharan, T; Seshubai, V

    2012-01-01

    It has been argued in our recent papers that the heat of formation of intermetallic compounds is mostly concentrated in the nearest neighbor unlike atom-pair bonds, and that the positive term in Miedema's equation is associated with charge transfer on the bond to maintain electroneutrality. In this paper, taking examples of some well populated crystal-structure types such as MgCu(2), AsNa(3), AuCu(3), MoSi(2) and SiCr(3) types, the effect of such charge transfer on the crystal structures adopted by intermetallic compounds is examined. It is shown that the correlation between the observed size changes of atoms on alloying and their electronegativity differences is supportive of the idea of charge transfer between atoms. It is argued that the electronegativity and valence differences need to be of the required magnitude and direction to alter, through charge transfer, the elemental radius ratios R(A)/R(B) to the internal radius ratios r(A)/r(B) allowed by the structure types. Since the size change of atoms on alloying is highly correlated to how different R(A)/R(B) is from the ideal radius ratio for a structure type, the lattice parameters of intermetallic compounds can be predicted with excellent accuracy knowing R(A)/R(B). A practical application of the approach developed in our recent papers to superalloy design is presented. PMID:22186292

  9. Magnetic properties of the intermetallic compounds PrNiSn and NdNiSn

    NASA Astrophysics Data System (ADS)

    Beirne, Eamonn Daniel

    Inelastic neutron scattering has been used to determine the crystalline electric field (CEF) excitations in the intermetallic compound PrNiSn. Polycrystalline samples of PiNiSn are found to have 7 excitations up to 30 meV, with strong low-lying modes at 2.0, 3.5, and 5.1 meV. The site symmetry of Pr3+ in this system is such that the degeneracy of the 9 levels in the J = 4 ground state multiplet is removed completely by the crystal field. From fitting this data, it is clear that the ground state is a singlet that couples to each of the other 8 excited states. The wavefunctions of the levels are determined and a level scheme proposed for this material. Inelastic scattering results are also presented for a single crystal of PrNiSn. The dispersion of the low-lying E = 3.5 meV CEF excitation is documented, showing 4 distinct modes corresponding to the 4 Pr ions in the unit cell. Susceptibility and magnetisation results for PrNiSn and NdNiSn are presented. From these measurements it is clear that the PrNiSn does not order magnetically down to 2K, whereas NdNiSn has an antifenomagnetic transition at TN = 3.1K. Resistivity measurements on PrNiSn also show no evidence of a magnetic transition, but there are gradient changes at around 4.5K and 12K. This corresponds to a local maximum at 12K and local minimum at 4.5K along the b-axis in this compound. Measurements on single crystals of these compounds show strong anisotropy in both cases, attributed to CEF effects. From the proposed CEF level scheme, the bulk properties such as the susceptibility can be modelled. Neutron powder diffraction measurements on both PrNiSn and NdNiSn confirm that there is no magnetic transition down to 1.6K in PrNiSn, and TN is confirmed for NdNiSn. Structural Rietveld fitting confirms the room temperature orthorhombic structure in both systems down to low temperature, but the magnetic structure of NdNiSn can not be determined. This is due to the magnetic peaks below TN doubling up, indicating a

  10. Effects of Inert Nanoparticles of High-Melting-Point Compositions on Grain Structure and Strength of Ni3Al Intermetallic Compounds

    NASA Astrophysics Data System (ADS)

    Ovcharenko, V. E.; Boyangin, E. N.; Chudinov, V. A.

    2016-08-01

    The paper represents experimental findings both in the area of effects of nanoparticles of inert high-melting-point TiN compounds on a Ni3Al intermetallic grain structure creation in the conditions of high temperature synthesis under pressure, and in the area of impact of grain structure modification on intermetallic compounds' strength factor temperature dependence. It was demonstrated that appending a stoichiometric composition of nanosized particles of high-melting-point inert chemical compounds (TiN) initiates a manyfold loss of average size of grain of Ni3Al intermetallic compounds, synthesized under pressure, as well as a sufficient intermetallic compounds' strength rise within a wide range of temperatures (up to 1 000 degree C). Electron-microscopic evaluations of a synthesized intermetallic structure with TiN nanoparticles, showed that, during the process of intermetallic polycrystalline structure creation from high temperature synthesis products melts, TiN nanoparticles are mainly spread throughout the boundaries and joints of grain structure, acting as stoppers of grain boundaries migration.

  11. Investigations of Zr-Ni intermetallic compounds by perturbed angular correlations

    NASA Astrophysics Data System (ADS)

    Dey, C. C.

    2013-09-01

    The hyperfine interactions experienced by 181Ta in ZrNi5 and Zr2Ni7 intermetallic compounds have been investigated by the perturbed angular correlation (PAC) technique. In ZrNi5, a strong electric quadrupole interaction (∼40%) with ωQ=72.0(1) Mrad/s, η=0.25(1), δ=0 at room temperature has been found due to the presence of Zr2Ni7 contaminating phase produced during sample preparation in the arc furnace. A weak quadrupole interaction of Zr2Ni7 (∼5%) with ωQ=65(1) Mrad/s, η=0.24(6), δ=0 has also been observed. The cubic component of ZrNi5 also has been observed (∼40% at room temperature) in this sample along with associated defect (15%). It is found that at 873 K, the cubic fraction increases to ∼54% at the cost of its defect fraction. No magnetic interaction in ZrNi5 has been observed which supports the earlier PAC results but rules out the result of strong magnetic ordering found from magnetization measurement. In Zr2Ni7, two regular fractions corresponding to two different crystallographic sites of Zr have been clearly identified with the parameters ωQ(1)=70.9(1) Mrad/s, η(1)=0.28(1), δ=1.3(3)% and ωQ(2)=64(1) Mrad/s, η(2)=0.34(8), δ=0 while contradictory results were reported from previous measurements.

  12. The atomic structure of low-index surfaces of the intermetallic compound InPd.

    PubMed

    McGuirk, G M; Ledieu, J; Gaudry, É; de Weerd, M-C; Hahne, M; Gille, P; Ivarsson, D C A; Armbrüster, M; Ardini, J; Held, G; Maccherozzi, F; Bayer, A; Lowe, M; Pussi, K; Diehl, R D; Fournée, V

    2015-08-21

    The intermetallic compound InPd (CsCl type of crystal structure with a broad compositional range) is considered as a candidate catalyst for the steam reforming of methanol. Single crystals of this phase have been grown to study the structure of its three low-index surfaces under ultra-high vacuum conditions, using low energy electron diffraction (LEED), X-ray photoemission spectroscopy (XPS), and scanning tunneling microscopy (STM). During surface preparation, preferential sputtering leads to a depletion of In within the top few layers for all three surfaces. The near-surface regions remain slightly Pd-rich until annealing to ∼580 K. A transition occurs between 580 and 660 K where In segregates towards the surface and the near-surface regions become slightly In-rich above ∼660 K. This transition is accompanied by a sharpening of LEED patterns and formation of flat step-terrace morphology, as observed by STM. Several superstructures have been identified for the different surfaces associated with this process. Annealing to higher temperatures (≥750 K) leads to faceting via thermal etching as shown for the (110) surface, with a bulk In composition close to the In-rich limit of the existence domain of the cubic phase. The Pd-rich InPd(111) is found to be consistent with a Pd-terminated bulk truncation model as shown by dynamical LEED analysis while, after annealing at higher temperature, the In-rich InPd(111) is consistent with an In-terminated bulk truncation, in agreement with density functional theory (DFT) calculations of the relative surface energies. More complex surface structures are observed for the (100) surface. Additionally, individual grains of a polycrystalline sample are characterized by micro-spot XPS and LEED as well as low-energy electron microscopy. Results from both individual grains and "global" measurements are interpreted based on comparison to our single crystals findings, DFT calculations and previous literature. PMID:26298146

  13. The atomic structure of low-index surfaces of the intermetallic compound InPd

    NASA Astrophysics Data System (ADS)

    McGuirk, G. M.; Ledieu, J.; Gaudry, É.; de Weerd, M.-C.; Hahne, M.; Gille, P.; Ivarsson, D. C. A.; Armbrüster, M.; Ardini, J.; Held, G.; Maccherozzi, F.; Bayer, A.; Lowe, M.; Pussi, K.; Diehl, R. D.; Fournée, V.

    2015-08-01

    The intermetallic compound InPd (CsCl type of crystal structure with a broad compositional range) is considered as a candidate catalyst for the steam reforming of methanol. Single crystals of this phase have been grown to study the structure of its three low-index surfaces under ultra-high vacuum conditions, using low energy electron diffraction (LEED), X-ray photoemission spectroscopy (XPS), and scanning tunneling microscopy (STM). During surface preparation, preferential sputtering leads to a depletion of In within the top few layers for all three surfaces. The near-surface regions remain slightly Pd-rich until annealing to ˜580 K. A transition occurs between 580 and 660 K where In segregates towards the surface and the near-surface regions become slightly In-rich above ˜660 K. This transition is accompanied by a sharpening of LEED patterns and formation of flat step-terrace morphology, as observed by STM. Several superstructures have been identified for the different surfaces associated with this process. Annealing to higher temperatures (≥750 K) leads to faceting via thermal etching as shown for the (110) surface, with a bulk In composition close to the In-rich limit of the existence domain of the cubic phase. The Pd-rich InPd(111) is found to be consistent with a Pd-terminated bulk truncation model as shown by dynamical LEED analysis while, after annealing at higher temperature, the In-rich InPd(111) is consistent with an In-terminated bulk truncation, in agreement with density functional theory (DFT) calculations of the relative surface energies. More complex surface structures are observed for the (100) surface. Additionally, individual grains of a polycrystalline sample are characterized by micro-spot XPS and LEED as well as low-energy electron microscopy. Results from both individual grains and "global" measurements are interpreted based on comparison to our single crystals findings, DFT calculations and previous literature.

  14. The atomic structure of low-index surfaces of the intermetallic compound InPd

    SciTech Connect

    McGuirk, G. M.; Ledieu, J.; Gaudry, É.; Weerd, M.-C.; Fournée, V. de; Hahne, M.; Gille, P.; Ivarsson, D. C. A.; Armbrüster, M.; Ardini, J.; Held, G.; Maccherozzi, F.; Bayer, A.; Lowe, M.; Pussi, K.; Diehl, R. D.

    2015-08-21

    The intermetallic compound InPd (CsCl type of crystal structure with a broad compositional range) is considered as a candidate catalyst for the steam reforming of methanol. Single crystals of this phase have been grown to study the structure of its three low-index surfaces under ultra-high vacuum conditions, using low energy electron diffraction (LEED), X-ray photoemission spectroscopy (XPS), and scanning tunneling microscopy (STM). During surface preparation, preferential sputtering leads to a depletion of In within the top few layers for all three surfaces. The near-surface regions remain slightly Pd-rich until annealing to ∼580 K. A transition occurs between 580 and 660 K where In segregates towards the surface and the near-surface regions become slightly In-rich above ∼660 K. This transition is accompanied by a sharpening of LEED patterns and formation of flat step-terrace morphology, as observed by STM. Several superstructures have been identified for the different surfaces associated with this process. Annealing to higher temperatures (≥750 K) leads to faceting via thermal etching as shown for the (110) surface, with a bulk In composition close to the In-rich limit of the existence domain of the cubic phase. The Pd-rich InPd(111) is found to be consistent with a Pd-terminated bulk truncation model as shown by dynamical LEED analysis while, after annealing at higher temperature, the In-rich InPd(111) is consistent with an In-terminated bulk truncation, in agreement with density functional theory (DFT) calculations of the relative surface energies. More complex surface structures are observed for the (100) surface. Additionally, individual grains of a polycrystalline sample are characterized by micro-spot XPS and LEED as well as low-energy electron microscopy. Results from both individual grains and “global” measurements are interpreted based on comparison to our single crystals findings, DFT calculations and previous literature.

  15. Processing, compositional range, and mechanical behavior of the Mo(5)Si(3)C intermetallic compound

    NASA Astrophysics Data System (ADS)

    Ross, Eli Nickerson

    The intermetallic compound Mo5Si3C was studied in order to examine optimal processing methods, elevated temperature mechanical behavior, and the influence of crystal symmetry on the potential for improved room temperature ductility/toughness in ternary silicides. During the course of the investigation, samples were produced using nonconsumable arc melting and vacuum hot pressing of either blended or mechanically alloyed powders. The most significant challenge to the production of single-phase Mo5 Si3C was the significantly narrower range of homogeneity for the ternary compound than originally reported. The primary reason for this discrepancy is thought to be the use of x-ray diffraction (XRD) as the sole means of phase identification in the original study, whereas the current work augmented XRD with other microstructural analysis techniques. Further complicating the processing of Mo5Si3C was the occurrence of composition shifts during powder processing. These shifts in stoichiometry were correlated to observed microstructural features and likely the result of thermodynamically favored reactions between silica present in the starting powders and carbon. Because of these complications, materials for mechanical testing typically contained between one and 6 volume percent of phases other than Mo5Si3C, with samples having the nominal composition Mo4.8Si3C0.87 closest to single phase. An average microhardness value of 13.2 GPa was recorded for the ternary phase at room temperature, and an indentation fracture toughness of approximately 2.5 MPa·m1/2 was determined. In the temperature range 1000 to 1300°C, materials tested in compression displayed properties that were highly strain rate and grain size dependent, indicating the influence of boundary-controlled deformation mechanisms. The behavior of samples tested in four-point bending at 1200°C showed similar behavior, with larger grain size materials failing after limited deformation while finer grain size materials

  16. Polar intermetallic compounds of the silicon and arsenic family elements and their ternary hydrides and fluorides

    SciTech Connect

    Leon-Escamilla, E.A.

    1996-10-17

    An investigation has been made on the effects of hydrogen and fluoride in the solid state chemistry of alkaline-earth and divalent rare-earth metal pnictide (Pn) and tetrelide (Tt) phases A{sub 5}(Pn,Tt,){sub 3}Z{sub x}, where A = Ca, Sr, Ba, Sm, Eu, Yb; Pn = As, Sb, Bi; Tt = Si, Ge, Sn, Pb and Z = H, F. Several trivalent rare-earth-metal pnictides, RE{sub 5}Pn{sub 3} (RE = Y, La, Gd, Tb, Dy, Ho, Er, Tm) and alkaline-earth-metal trielides, A{sub 5}Tr{sub 3}Z{sub x} (Tr = Ga, In, Tl) have been included in an effort to complete observed structural trends. Two main experimental techniques were followed throughout this work, (a) reactions in absence of hydrogen or under continuous high vacuum, and (b) reactions with binary metal hydrides, AH{sub x}, in closed containers. The results demonstrate that all the phases reported with the {beta}-Yb{sub 5}Sb{sub 3}-type structure in the A{sub 5}Pn{sub 3} systems are hydrogen-stabilized compounds. Reactions in absence of hydrogen lead to compounds with the Mn{sub 5}Si{sub 3}-type structure. The structure type {beta}-Yb{sub 5}Sb{sub 3} (= Ca{sub 5}SB{sub 3}F) was found to be characteristic of ternary systems and inaccurately associated with phases that form in the Y{sub 5}Bi{sub 3}-type. A new series of isomorphous Zintl compounds with the Ca{sub 16}Sb{sub 11}-type structure were prepared and studied as well. All the alkaline-earth-metal tetrelides, A{sub 5}Tt{sub 3}, that crystallize in the Cr{sub 5}B{sub 3}-type structure can be interstitially derivatized by hydrogen or fluoride. Binary and ternary compounds were characterized by Guinier powder patterns, single crystal X-ray and powder neutron diffraction techniques. In an effort to establish property-structure relationships, electrical resistivity and magnetic measurements were performed on selected systems, and the results were explained in terms of the Zintl concepts, aided by extended Hueckel band calculations.

  17. Hydride Properties and IRON-57 Mossbauer Effect Studies in TITANIUM(COPPER(1-Y)IRON(Y)) Intermetallic Compounds.

    NASA Astrophysics Data System (ADS)

    Zakaria, Ahmad

    1987-12-01

    The hydrogen absorption properties of the Ti(Cu _{rm 1-y}Fe _{rm y}) (0 <=q y <=q 1) intermetallic compound were systematically investigated. X-ray diffraction data indicated that the intermetallic compound adopted the gammaTiCu structure for 0 <=q y <=q.1 and crystallized in the TiFe structure for.5 <=q y <=q 1. A mixture of these two phases was observed for 0.1 < y <.5. The lattice parameters for the pure intermetallic compounds and hydrided samples were measured. The heat of hydride formation, DeltaH, as a function of Fe content was determined from pressure-composition isotherms and the Van't Hoff relation. In the composition range 0 <=q y <=q.1 the value of DeltaH varied from -74.3 kJ (mole H_{2 })^{-1} to -59.1 kJ (mole H_{2})^{ -1}. For.5 <=q y <=q 1 it went from -49.5 kJ (mole H_{2})^{-1} to -27.3 kJ (mole H_ {2})^{-1}. We have found that DeltaH values derived from a model proposed by Shilov et al. for calculating DeltaH of the multicomponent hydrides were in good agreement with the experimental data by about 3%. Other properties of the hydride such as hydrogen storage capacity and hysteresis effect were also found to be y dependent. Systematic ^{57}Fe Mossbauer effect studies were also carried out in the intermetallic compound and hydride systems with the emphasis on the isomer shift measurements. The total s-electron densities at the Fe nucleus (|psi_{ rm s}({rm o})|^ {2}) increases when the Fe content y decreases in the pure intermetallic compounds. | psi_{rm s}({rm o })|^{2} decreases with the introduction of the hydrogen. In the hydride system |psi_{rm s}({rm o})|^{2 } was found to be y independent. Interpretation of the data was based on the changes in | psi_{rm s}({rm o })|^{2} due to expansion and contraction of the host lattice and the electronic structure differences. The decrease in | psi_{rm s}({rm o })|^{2} due to the hydrogenation in the TiCu-like hydride (0 <=q y <=q.1) could be accounted for by the volume effect only. For TiFe-like hydride

  18. Effects of metallic nanoparticle doped flux on the interfacial intermetallic compounds between lead-free solder ball and copper substrate

    SciTech Connect

    Sujan, G.K. Haseeb, A.S.M.A. Afifi, A.B.M.

    2014-11-15

    Lead free solders currently in use are prone to develop thick interfacial intermetallic compound layers with rough morphology which are detrimental to the long term solder joint reliability. A novel method has been developed to control the morphology and growth of intermetallic compound layers between lead-free Sn–3.0Ag–0.5Cu solder ball and copper substrate by doping a water soluble flux with metallic nanoparticles. Four types of metallic nanoparticles (nickel, cobalt, molybdenum and titanium) were used to investigate their effects on the wetting behavior and interfacial microstructural evaluations after reflow. Nanoparticles were dispersed manually with a water soluble flux and the resulting nanoparticle doped flux was placed on copper substrate. Lead-free Sn–3.0Ag–0.5Cu solder balls of diameter 0.45 mm were placed on top of the flux and were reflowed at a peak temperature of 240 °C for 45 s. Angle of contact, wetting area and interfacial microstructure were studied by optical microscopy, field emission scanning electron microscopy and energy-dispersive X-ray spectroscopy. It was observed that the angle of contact increased and wetting area decreased with the addition of cobalt, molybdenum and titanium nanoparticles to flux. On the other hand, wettability improved with the addition of nickel nanoparticles. Cross-sectional micrographs revealed that both nickel and cobalt nanoparticle doping transformed the morphology of Cu{sub 6}Sn{sub 5} from a typical scallop type to a planer one and reduced the intermetallic compound thickness under optimum condition. These effects were suggested to be related to in-situ interfacial alloying at the interface during reflow. The minimum amount of nanoparticles required to produce the planer morphology was found to be 0.1 wt.% for both nickel and cobalt. Molybdenum and titanium nanoparticles neither appear to undergo alloying during reflow nor have any influence at the solder/substrate interfacial reaction. Thus, doping

  19. Behavior of alloys of the PtPd intermetallic compound with Hf and Zr in the electrosynthesis of peroxo salts

    SciTech Connect

    Toroptseva, N.T.; Vaseva, A.Yu.

    1988-08-10

    The objective of this study was to investigate the behavior of anodes made of alloys of the PtPd intermetallic compound with Hf and Zr in the synthesis of potassium peroxodicarbonates and peroxoborates. The investigations were based on polarization measurements in different regimes on stationary and rotating electrodes, the determination of the current yield of active oxygen in galvano- and potentiostatic syntheses, and the study of the kinetics of catalytic decomposition of peroxide solutions in the presence of the electrode in the range 289-308 K.

  20. Structure and mechanical properties of cement and intermetallic compounds via ab-initio simulations

    NASA Astrophysics Data System (ADS)

    Dharmawardhana, Chamila Chathuranga

    structural material such as cement. However, it is far too early to be applicable for cement. Thus, this study used intermetallic compounds as a test case to develop new AIMD methods. In light of this objective, a direct method to calculate high temperature mechanical properties was devised for Mo5Si3 (T1 phase) and Mo5B2Si 3 (T2 phase). It was found that thermal expansion anisotropy (TEA) of T1 phase is captured by this simulation. It was also found an AIMD method to reduce TEA of Mo5Si3 (T1 phase) by strategic alloying. With further research these methods may be transferrable to cement and may allow optimizing the performance of hydraulic cements.

  1. Stability of molybdenum nanoparticles in Sn-3.8Ag-0.7Cu solder during multiple reflow and their influence on interfacial intermetallic compounds

    SciTech Connect

    Haseeb, A.S.M.A. Arafat, M.M. Johan, Mohd Rafie

    2012-02-15

    This work investigates the effects of molybdenum nanoparticles on the growth of interfacial intermetallic compound between Sn-3.8Ag-0.7Cu solder and copper substrate during multiple reflow. Molybdenum nanoparticles were mixed with Sn-3.8Ag-0.7Cu solder paste by manual mixing. Solder samples were reflowed on a copper substrate in a 250 Degree-Sign C reflow oven up to six times. The molybdenum content of the bulk solder was determined by inductive coupled plasma-optical emission spectrometry. It is found that upon the addition of molybdenum nanoparticles to Sn-3.8Ag-0.7Cu solder, the interfacial intermetallic compound thickness and scallop diameter decreases under all reflow conditions. Molybdenum nanoparticles do not appear to dissolve or react with the solder. They tend to adsorb preferentially at the interface between solder and the intermetallic compound scallops. It is suggested that molybdenum nanoparticles impart their influence on the interfacial intermetallic compound as discrete particles. The intact, discrete nanoparticles, by absorbing preferentially at the interface, hinder the diffusion flux of the substrate and thereby suppress the intermetallic compound growth. - Highlights: Black-Right-Pointing-Pointer Mo nanoparticles do not dissolve or react with the SAC solder during reflow. Black-Right-Pointing-Pointer Addition of Mo nanoparticles results smaller IMC thickness and scallop diameter. Black-Right-Pointing-Pointer Mo nanoparticles influence the interfacial IMC through discrete particle effect.

  2. Radiation-induced crystalline-to-amorphous transition in intermetallic compounds of the Cu-Ti alloy system

    SciTech Connect

    Lam, N.Q.; Okamoto, P.R.; Devanathan, R. ); Sabochick, M.J. . Computer Applications Div.)

    1992-02-01

    Recent progress in molecular-dynamics studies of radiation-induced crystalline-to-amorphous transition in the ordered intermetallic compounds of the Cu-Ti system is discussed. The effect of irradiation was simulated by the generation of Frenkel pairs,which resulted in both the formation of stable point defects and chemical disorder upon defect recombination. The thermodynamic, structural and mechanical responses of the compounds during irradiation were determined by monitoring changes in the system potential energy, volume expansion, pair correlation function, diffraction patterns, and elastic constants. It was found that the intermetallics Cu{sub 4}Ti{sub 3}, CuTi, and CuTi{sub 2} could be rendered amorphous by the creation of Frenkel pairs, but Cu{sub 4}Ti could not, consistent with experimental observations during electron irradiation. However, the simulations showed that Cu{sub 4}Ti did become amorphous when clusters of Frenkel pairs were introduced, indicating that this compound may be susceptible to amorphization by heavy-ion bombardment. A generalization of the Lindemann criterion was used to develop a thermodynamic description of solid-state amorphization as a disorder- induced melting process.

  3. Enthalpies of formation of Cd–Pr intermetallic compounds and thermodynamic assessment of the Cd–Pr system

    PubMed Central

    Reichmann, Thomas L.; Richter, Klaus W.; Delsante, Simona; Borzone, Gabriella; Ipser, Herbert

    2014-01-01

    In the present study standard enthalpies of formation were measured by reaction and solution calorimetry at stoichiometric compositions of Cd2Pr, Cd3Pr, Cd58Pr13 and Cd6Pr. The corresponding values were determined to be −46.0, −38.8, −35.2 and −24.7 kJ/mol(at), respectively. These data together with thermodynamic data and phase diagram information from literature served as input data for a CALPHAD-type optimization of the Cd–Pr phase diagram. The complete composition range could be described precisely with the present models, both with respect to phase equilibria as well as to thermodynamic input data. The thermodynamic parameters of all intermetallic compounds were modelled following Neumann–Kopp rule. Temperature dependent contributions to the individual Gibbs energies were used for all compounds. Extended solid solubilities are well described for the low- and high-temperature modifications of Pr and also for the intermetallic compound CdPr. A quite good agreement with all viable data available from literature was found and is presented. PMID:25540475

  4. Exploring phase stability, electronic and mechanical properties of Ce-Pb intermetallic compounds using first-principles calculations

    NASA Astrophysics Data System (ADS)

    Tao, Xiaoma; Wang, Ziru; Lan, Chunxiang; Xu, Guanglong; Ouyang, Yifang; Du, Yong

    2016-05-01

    The phase stability, electronic and mechanical properties of Ce-Pb intermetallics have been investigated by using first-principles calculations. Five stable and four metastable phases of Ce-Pb intermetallics were verified. Among them, CePb2 has been confirmed as HfGa2-type structure. For Ce5Pb3, the high pressure phase transformation from D8m to D88 with trivalent Ce has been predicted to occur at P=1.2 GPa and a high temperature phase transformation has been predicted from D8m to D88 with tetravalent Ce at 531.5 K. The calculated lattice constants of the five stable phases are in good agreement with experimental values. The electronic density of states, charge density and electron localization function of Ce3Pb have been calculated, which indicated that the Ce and Pb show ionic behavior. The polycrystalline bulk modulus, shear modulus, Young's modulus, and Poisson's ratio are also estimated from the calculated single crystalline elastic constants. All of the calculated elastic constants satisfy mechanical stability criteria. The microhardness and mechanical anisotropy are predicted. The anisotropic nature of the Ce-Pb intermetallic compounds are demonstrated by the three-dimensional orientation dependent surfaces of Young's moduli and linear compressibility are also demonstrated. The longitudinal, transverse and average sound velocities and the Debye temperatures are also obtained in this work. The Ce3Pb has the largest Debye temperature of 192.6 K, which means the Ce3Pb has a highest melting point and high thermal conductivity than other compounds.

  5. The role of zinc on the chemistry of complex intermetallic compounds

    SciTech Connect

    Xie, Weiwei

    2014-01-01

    Combining experiments and electronic structure theory provides the framework to design and discover new families of complex intermetallic phases and to understand factors that stabilize both new and known phases. Using solid state synthesis and multiple structural determinations, ferromagnetic β-Mn type Co8+xZn12–x was analyzed for their crystal and electronic structures.

  6. Estimation of the composition of intermetallic compounds in LiCl-KCl molten salt by cyclic voltammetry.

    PubMed

    Liu, Ya L; Liu, Kui; Yuan, Li Y; Chai, Zhi F; Shi, Wei Q

    2016-08-15

    In this work, the compositions of Ce-Al, Er-Al and La-Bi intermetallic compounds were estimated by the cyclic voltammetry (CV) technique. At first, CV measurements were carried out at different reverse potentials to study the co-reduction processes of Ce-Al, Er-Al and La-Bi systems. The CV curves obtained were then re-plotted with the current as a function of time, and the coulomb number of each peak was calculated. By comparing the coulomb number of the related peaks, the compositions of the Ce-Al, Er-Al and La-Bi intermetallic compounds formed in the co-reduction process could be estimated. The results showed that Al11Ce3, Al3Ce, Al2Ce and AlCe could be formed by the co-reduction of Ce(iii) and Al(iii). For the co-reduction of Er(iii) and Al(iii), Al3Er2, Al2Er and AlEr were formed. In a La(iii) and Bi(iii) co-existing system in LiCl-KCl melts, LaBi2, LaBi and Li3Bi were the major products as a result of co-reduction.

  7. Chemistry of intermetallic hydrides

    SciTech Connect

    Reilly, J.J.

    1991-01-01

    Certain intermetallic hydrides are safe, convenient and inexpensive hydrogen storage compounds. A particular advantage of such compounds is the ease with which their properties can be modified by small changes in alloy composition or preparation. This quality can be exploited to optimize their storage properties for particular applications, e.g. as intermetallic hydride electrodes in batteries. We will be concerned herein with the more important aspects of the thermodynamic and structural principles which regulate the behavior of intermetallic hydrogen systems and then illustrate their application using the archetype hydrides of LaNi5, FeTi and Mg alloys. The practical utility of these classes of materials will be briefly noted.

  8. Phase transitions as a function of material constants and temperature in intermetallic compounds of the terfenol-D type

    NASA Astrophysics Data System (ADS)

    Fridman, Yu. A.; Klevets, F. N.; Voĭtenko, A. P.

    2010-07-01

    A model of magnetic and magnetoelastic properties of intermetallic compounds has been considered with the inclusion of the influence of the “giant” magnetoelastic coupling and the biquadratic exchange interaction. The phase transitions as a function of material constants and temperature have been investigated in the framework of the proposed model. It has been demonstrated that the ferromagnetic and quadrupole phases can be formed in the system under consideration. In this case, the phase transition between these phases is a first-order transition and occurs through the intermediate, i.e., quadrupole-ferromagnetic, state. The dependences of the phase transition temperature on the Heisenberg and biquadratic exchange interaction constants have been obtained for compounds of the terfenol-D type.

  9. Microstructure study of the rare-earth intermetallic compounds R5(SixGe1-x)4 and R5(SixGe1-x)3

    SciTech Connect

    Cao, Qing

    2012-01-01

    The unique combination of magnetic properties and structural transitions exhibited by many members of the R5(SixGe1-x)4 family (R = rare earths, 0 ≤ x ≤ 1) presents numerous opportunities for these materials in advanced energy transformation applications. Past research has proven that the crystal structure and magnetic ordering of the R5(SixGe1-x)4 compounds can be altered by temperature, magnetic field, pressure and the Si/Ge ratio. Results of this thesis study on the crystal structure of the Er5Si4 compound have for the first time shown that the application of mechanical forces (i.e. shear stress introduced during the mechanical grinding) can also result in a structural transition from Gd5Si4-type orthorhombic to Gd5Si2Ge2-type monoclinic. This structural transition is reversible, moving in the opposite direction when the material is subjected to low-temperature annealing at 500 °C.

  10. On the formation of Al{sub 3}Ni{sub 2} intermetallic compound by aluminothermic reduction of nickel oxide

    SciTech Connect

    Parsa, M.R.; Soltanieh, M.

    2011-07-15

    Simultaneous reduction of NiO and formation of Al{sub 3}Ni{sub 2} intermetallic compound at 880, 940 and 1000 deg. C were investigated by means of the thermal reduction method. The optimal Ni contents for the starting samples were determined at different times and temperatures through the compositional analysis. The microstructure of the metallic quenched samples was observed by scanning electron microscope. Moreover, the X-ray diffraction analysis and energy disperse spectrometry were applied to characterize the formation of the phases. The results showed that the metallic samples consisted of Al{sub 3}Ni{sub 2}, Al{sub 3}Ni and Al phases and that there was no trace of Ni, NiO and Al{sub 2}O{sub 3}. It was found that after 10 min at the applied temperatures, the reaction completed. For the longer time, the dispersed Al{sub 3}Ni{sub 2} nuclei were grown and its continuous network formed. By increasing the temperature, the thickness of the Al{sub 3}Ni precipitation around Al{sub 3}Ni{sub 2} phase is enhanced in the samples with the same Ni content. A model was proposed for these reactions. - Research Highlights: {yields} Simultaneous reduction of NiO, and Al{sub 3}Ni{sub 2} intermetallics formation at temperatures lower than Ni melting point. {yields} Presently a mechanism for such a process. {yields} Parametric study of microstructure and formed phases.

  11. FP-LAPW based investigation of structural, electronic and mechanical properties of CePb3 intermetallic compound

    NASA Astrophysics Data System (ADS)

    Pagare, Gitanjali; Abraham, Jisha Annie; Jain, Ekta; Sanyal, Sankar P.

    2015-08-01

    A theoretical study of structural, electronic, elastic and mechanical properties of CePb3 intermetallic compound has been investigated systematically using first principles density functional theory. The calculations are carried out within the three different forms of generalized gradient approximation (GGA) and LSDA for the exchange correlation potential. The ground state properties such as lattice parameter (a0), bulk modulus (B) and its pressure derivative (B') are calculated and obtained lattice parameter of this compound shows well agreement with the experimental results. We have calculated three independent second order elastic constants (C11, C12 and C44), which has not been calculated and measured yet. From energy dispersion curves, it is found that the studied compound is metallic in nature. Ductility of this compound is analyzed using Pugh's criteria and Cauchy's pressure (C11-C12). The mechanical properties such as Young's modulus, shear modulus, anisotropic ratio, Poison's ratio have been calculated for the first time using the Voigt-Reuss-Hill (VRH) averaging scheme. The average sound velocities (vm), density (ρ) and Debye temperature (θD) of this compound are also estimated from the elastic constants.

  12. FP-LAPW based investigation of structural, electronic and mechanical properties of CePb{sub 3} intermetallic compound

    SciTech Connect

    Pagare, Gitanjali Jain, Ekta; Abraham, Jisha Annie; Sanyal, Sankar P.

    2015-08-28

    A theoretical study of structural, electronic, elastic and mechanical properties of CePb{sub 3} intermetallic compound has been investigated systematically using first principles density functional theory. The calculations are carried out within the three different forms of generalized gradient approximation (GGA) and LSDA for the exchange correlation potential. The ground state properties such as lattice parameter (a{sub 0}), bulk modulus (B) and its pressure derivative (B′) are calculated and obtained lattice parameter of this compound shows well agreement with the experimental results. We have calculated three independent second order elastic constants (C{sub 11}, C{sub 12} and C{sub 44}), which has not been calculated and measured yet. From energy dispersion curves, it is found that the studied compound is metallic in nature. Ductility of this compound is analyzed using Pugh’s criteria and Cauchy's pressure (C{sub 11}-C{sub 12}). The mechanical properties such as Young's modulus, shear modulus, anisotropic ratio, Poison's ratio have been calculated for the first time using the Voigt–Reuss–Hill (VRH) averaging scheme. The average sound velocities (v{sub m}), density (ρ) and Debye temperature (θ{sub D}) of this compound are also estimated from the elastic constants.

  13. Ultrarapid formation of homogeneous Cu6Sn5 and Cu3Sn intermetallic compound joints at room temperature using ultrasonic waves.

    PubMed

    Li, Zhuolin; Li, Mingyu; Xiao, Yong; Wang, Chunqing

    2014-05-01

    Homogeneous intermetallic compound joints are demanded by the semiconductor industry because of their high melting point. In the present work, ultrasonic vibration was applied to Cu/Sn foil/Cu interconnection system at room temperature to form homogeneous Cu6Sn5 and Cu3Sn joints. Compared with other studies based on transient-liquid-phase soldering, the processing time of our method was dramatically reduced from several hours to several seconds. This ultrarapid intermetallic phase formation process resulted from accelerated interdiffusion kinetics, which can be attributed to the sonochemical effects of acoustic cavitation at the interface between the liquid Sn and the solid Cu during the ultrasonic bonding process.

  14. The evolution of γ-Mg17Al12 intermetallic compound during accumulative back extrusion and subsequent ageing treatment

    NASA Astrophysics Data System (ADS)

    Maghsoudi, M. H.; Zarei-Hanzaki, A.; Abedi, H. R.; Shamsolhodaei, A.

    2015-11-01

    Accumulative back extrusion (ABE) processing, as a novel severe plastic deformation (SPD) method, has been recently justified to be capable of modifying the microstructural characteristics of alloys. In line to its ongoing researches, the present work has been planned to study the evolution of γ-Mg17Al12 intermetallic phase during ABE and subsequent ageing treatment in a high Al-bearing Mg-Al-Zn alloy. The behaviour of γ intermetallic has been systematically examined as following points of view: (i) strain-temperature-dependent morphology changes, (ii) strain-induced dissolution, and (iii) re-ageing behaviour as a function of time and temperature. Aiming to analyse the morphology of eutectic γ compound with respect to the strain and temperature, 2D projections of effective diameter, shape factor and globularity have been made in strain/temperature graphs. The processing conditions (strain and temperature) corresponding to the desired and undesired morphologies are introduced and microstructurally explained through underlying plasticity mechanisms, i.e., 'necking-thinning-particle separation' and 'brittle fragmentation.' The former mechanism is suggested to be in relation with partial strain-induced dissolution of eutectic γ phase, leading to generation of a supersaturated solid solution. This has resulted to the observation of 'off-stoichiometry' phenomena in Mg17Al12 phase and has been justified through dislocation-assisted deformation mechanism at elevated temperature. Surprisingly, a unique re-ageing behaviour has been found for the obtained solid solutions, where a modified kinetics and morphology of γ phase precipitation were characterized. The altered precipitation behaviour is attributed to the specific defect structure achieved by SPD acting as fast diffusion channel for Al solutes.

  15. Permanent magnetism of intermetallic compounds between light and heavy transition-metal elements

    SciTech Connect

    Kumar, P; Kashyap, A; Balamurugan, B; Shield, JE; Sellmyer, DJ; Skomski, R

    2014-01-27

    First-principle calculations are used to investigate the intrinsic magnetic properties of intermetallic alloys of the type XMn, where X is a 4d or 5d element and M is Fe or Co. Emphasis is on the hexagonal C14 Laves-phase 1:2 and 1:5 alloys, the latter crystallizing in the CaCu5 structure. These series are of interest in permanent magnetism from fundamental and practical viewpoints, respectively. In the former, the unit cells form a prototypical motif where a heavy atom with high spin-orbit coupling and magnetocrystalline anisotropy is surrounded by many somewhat smaller M atoms with high magnetization, and the latter are Laves-phase derivatives of renewed interest in permanent magnetism. Our DFT calculations predict magnetic moments, magnetizations and anisotropies, as well as formation energies. The results are analyzed across the 4d and 5d series, especially with respect to hybridization effects between 3d and 4d/5d bands.

  16. Permanent magnetism of intermetallic compounds between light and heavy transition-metal elements.

    PubMed

    Kumar, P; Kashyap, A; Balamurugan, B; Shield, J E; Sellmyer, D J; Skomski, R

    2014-02-12

    First-principle calculations are used to investigate the intrinsic magnetic properties of intermetallic alloys of the type XMn, where X is a 4d or 5d element and M is Fe or Co. Emphasis is on the hexagonal C14 Laves-phase 1:2 and 1:5 alloys, the latter crystallizing in the CaCu5 structure. These series are of interest in permanent magnetism from fundamental and practical viewpoints, respectively. In the former, the unit cells form a prototypical motif where a heavy atom with high spin-orbit coupling and magnetocrystalline anisotropy is surrounded by many somewhat smaller M atoms with high magnetization, and the latter are Laves-phase derivatives of renewed interest in permanent magnetism. Our DFT calculations predict magnetic moments, magnetizations and anisotropies, as well as formation energies. The results are analyzed across the 4d and 5d series, especially with respect to hybridization effects between 3d and 4d/5d bands.

  17. Effects of Bonding Wires and Epoxy Molding Compound on Gold and Copper Ball Bonds Intermetallic Growth Kinetics in Electronic Packaging

    NASA Astrophysics Data System (ADS)

    Gan, C. L.; Classe, F. C.; Chan, B. L.; Hashim, U.

    2014-04-01

    This paper discusses the influence of bonding wires and epoxy mold compounds (EMC) on intermetallic compound (IMC) diffusion kinetics and apparent activation energies ( E aa) of CuAl and AuAl IMCs in a fineline ball grid array package. The objective of this study is to study the CuAl and AuAl IMC growth rates with different epoxy mold compounds and to determine the apparent activation energies of different combination of package bills of materials. IMC thickness measurement has been carried out to estimate the coefficient of diffusion ( D o) and E aa various aging conditions of different EMCs and bonding wires. Apparent activation energies ( E aa) of both wire types were investigated after high temperature storage life tests (HTSL) for both molding compounds. Au bonds were identified to have faster IMC formation, compared to slower IMC growth of Cu. The E aa obtained for CuAl IMC diffusion kinetics are 1.08 and 1.04 eV with EMC A and EMC B, respectively. For AuAl IMC diffusion kinetics, the E aa obtained are 1.04 and 0.98 eV, respectively, on EMC A and EMC B. These values are close to previous HTSL studies conducted on Au and Cu ball bonds and are in agreement to the theory of HTSL performance of Au and Cu bonding wires.Overall, EMC B shows slightly lower apparent activation energy ( E aa) valueas in CuAl and AuAl IMCs. This proves that the different types of epoxy mold compounds have some influence on IMC growth rates.

  18. Studies of magnetostriction and spin polarized band structures of rare earth intermetallics

    NASA Technical Reports Server (NTRS)

    Wallace, W. E.

    1979-01-01

    Anisotropic magnetostriction measurements of R6Fe23, R = (Tb, Dy, Ho, and Er) were carried out from 77 K to room temperature. Magnetic fields up to 2.1 Tesla were applied. All the compounds exhibited large magnetostrictions at 77 K, the largest effect being obtained for Tb6Fe23. Saturation magnetostriction values for the compounds were also determined for 77 K and room temperature. Results of the temperature dependence of magnetostriction for Er6Fe23 are in good agreement with Callen and Callen's single ion theory. Therefore, the main sources of magnetostriction in this compound is the Er ion. The spin-up and spin-down electronic energy bands, the density of states and the magnetic moments of YCo5, SmCo5, and GdCo5 were calculated by the spin polarized augmented plane wave technique. The calculations obtained show the origin of the moment, provide good estimates of its magnitude and variation, and the reasons for those variations. They also show the important role of partial charge transfer and of d-d electronic coupling. Calculations for LaNi5 and GdNi5 systems are discussed.

  19. Formation of Intermetallic Compounds Between Liquid Sn and Various CuNi x Metallizations

    NASA Astrophysics Data System (ADS)

    Vuorinen, V.; Yu, H.; Laurila, T.; Kivilahti, J. K.

    2008-06-01

    Interfacial reactions between liquid Sn and various Cu-Ni alloy metallizations as well as the subsequent phase transformations during the cooling were investigated with an emphasis on the microstructures of the reaction zones. It was found that the extent of the microstructurally complex reaction layer (during reflow at 240°C) does not depend linearly on the Ni content of the alloy metallization. On the contrary, when Cu is alloyed with Ni, the rate of thickness change of the total reaction layer first increases and reaches a maximum at a composition of about 10 at.% Ni. The reaction layer is composed of a relatively uniform continuous (Cu,Ni)6Sn5 reaction layer (a uniphase layer) next to the NiCu metallizations and is followed by the two-phase solidification structures between the single-phase layer and Sn matrix. The thickness of the two-phase layer, where the intermetallic tubes and fibers have grown from the continuous interfacial (Cu,Ni)6Sn5 layer, varies with the Ni-to-Cu ratio of the alloy metallization. In order to explain the formation mechanism of the reaction layers and their observed kinetics, the phase equilibria in the Sn-rich side of the SnCuNi system at 240°C were evaluated thermodynamically utilizing the available data, and the results of the Sn/Cu x Ni1- x diffusion couple experiments. With the help of the assessed data, one can also evaluate the minimum Cu content of Sn-(Ag)-Cu solder, at which (Ni,Cu)3Sn4 transforms into (Cu,Ni)6Sn5, as a function of temperature and the composition of the liquid solders.

  20. Elastic and Thermodynamic Properties of Complex Mg-Al Intermetallic Compounds via Orbital-Free Density Functional Theory

    NASA Astrophysics Data System (ADS)

    Zhuang, Houlong; Chen, Mohan; Carter, Emily A.

    2016-06-01

    Magnesium-aluminum (Mg-Al) alloys are important metal alloys with a wide range of engineering applications. We investigate the elastic and thermodynamic properties of Mg, Al, and four stoichiometric Mg-Al compounds including Mg17Al12 , Mg13Al14 , and Mg23Al30 , and MgAl2 with orbital-free density-functional theory (OFDFT). We first calculate the lattice constants, zero-temperature formation energy, and independent elastic constants of these six materials and compare the results to those computed via Kohn-Sham DFT (KSDFT) benchmarks. We obtain excellent agreement between these two methods. Our calculated elastic constants of hexagonal close-packed Mg and face-centered-cubic Al are also consistent with available experimental data. We next compute their phonon spectra using the force constants extracted from the very fast OFDFT calculations, because such calculations are computationally challenging using KSDFT. This is especially the case for the Mg23Al30 compound, whose 3 ×3 ×3 supercell consists of 1431 atoms. We finally employ the quasiharmonic approximation to investigate temperature-dependent thermodynamic properties, including formation energies, heat capacities, and thermal expansion of the four Mg-Al intermetallic compounds. The calculated heat capacity and thermal expansion of both Mg and Al agree well with experimental data. We additionally find that Mg13Al14 and MgAl2 are both unstable, consistent with their absence from the equilibrium Mg-Al phase diagram. Our work demonstrates that OFDFT is an efficient and accurate quantum-mechanical computational tool for predicting elastic and thermodynamic properties of complicated Mg-Al alloys and also should be applicable to many other engineering alloys.

  1. Rare earth-transition metal-magnesium compounds-An overview

    SciTech Connect

    Rodewald, Ute Ch.; Chevalier, Bernard Poettgen, Rainer

    2007-05-15

    Intermetallic rare earth-transition metal-magnesium compounds play an important role as precipitations in modern light weight alloys and as host materials for hydrogen storage applications. Recent results on the crystal chemistry, the chemical bonding peculiarities, physical properties, and hydrogenation behavior of these materials are reviewed. - Graphical abstract: View of the Sm{sub 4}RhMg crystal structure approximately along the direction. Samarium, rhodium, and magnesium atoms are drawn as medium gray, filled (hidden in the trigonal prisms), and open circles, respectively. The three-dimensional network of corner-sharing RhSm{sub 6} trigonal prisms and the Mg{sub 4} tetrahedra are emphasized. The Sm1 atoms do not participate in the network of condensed trigonal prisms.

  2. Micromagnetic analysis of the hardening mechanisms of nanocrystalline MnBi and nanopatterned FePt intermetallic compounds.

    PubMed

    Kronmüller, H; Yang, J B; Goll, D

    2014-02-12

    The uniaxial intermetallic compounds of L10-FePt and the low temperature NiAs structure of MnBi are suitable alloys for application as high-density recording materials or as high-coercivity permanent magnets. Single domain particles of these materials are characterized by coercive fields above 1 T over a large temperature range. In particular MnBi shows a coercive field of 2 T at 450 K. Its extraordinary magnetic properties in the temperature range up to 600 K are due to an increase of the magnetocrystalline anisotropy constant from 1.2 MJ m(-3) at 300 K to 2.4 MJ m(-3) at 450 K. In spite of the large coercivities obtained for both type of materials their experimental values deviate considerably from the theoretical values Hc = 2K1/Js valid for a homogeneous rotation process in spherical particles. As is well known these discrepancies are due to the deteriorating effects of the microstructure. For an analysis of the coercive fields the Stoner-Wohlfarth theory has to be expanded with respect to higher anisotropy constants and to microstructural effects such as misaligned grains and grain surfaces with reduced anisotropy constants. It is shown that the temperature dependence and the angular dependence of Hc for FePt as well as MnBi can be quantitatively interpreted by taking into account the above mentioned intrinsic and microstructural effects. PMID:24469256

  3. The magnetic behavior of the intermetallic compound NdMn2Ge2 studied by magnetization and hyperfine interactions measurements

    NASA Astrophysics Data System (ADS)

    Bosch-Santos, B.; Carbonari, A. W.; Cabrera-Pasca, G. A.; Saxena, R. N.; Freitas, R. S.

    2015-05-01

    The magnetic behavior of the intermetallic compound NdMn2Ge2 was investigated by bulk magnetization measurements and measurements of hyperfine interactions using perturbed γ-γ angular correlation (PAC) spectroscopy. Magnetization measurements indicate the presence of four magnetic transitions associated with the Mn and Nd magnetic sublattices. At high temperatures, magnetic measurements show a change in the slope of the magnetization due to an antiferromagnetic transition around TN ˜ 425 K and a well defined ferromagnetic transition at TC ˜ 320 K. Moreover, at ˜210 K a peak is observed in the magnetization curve, which is assigned to the reorientation of the Mn spin, and at ˜25 K an increase in the magnetic moment is also observed, which is ascribed to the ordering of Nd ions. PAC measurements using 140La(140Ce) and 111In(111Cd) probe nuclei allowed the determination of the temperature dependence of the magnetic hyperfine field (Bhf) at Nd and Mn sites, respectively. PAC results with 111Cd probe nuclei at Mn sites show that the dependence of Bhf with temperature follows the expected behavior for the host magnetization associated with the magnetic ordering of Mn ions. From these results, the antiferromagnetic transition followed by a ferromagnetic ordering is clearly observed. PAC results with 140Ce probe nuclei at Nd sites, however, showed a strong deviation from the Brillouin function, which is attributed to the Ce 4f-electron contribution to Bhf.

  4. Influence of Ti and La Additions on the Formation of Intermetallic Compounds in the Al-Zn-Si Bath

    NASA Astrophysics Data System (ADS)

    Xu, Jin; Gu, Qin-Fen; Li, Qian; Lu, Hu-Sheng

    2016-09-01

    The effect of Ti and La additions on the formation of intermetallic compounds (IMCs) in the galvalume (55Al-Zn-1.6Si wt pct) bath was investigated experimentally and further studied with first-principles calculation. The studied baths contain: 1 wt pct Fe, with Ti content ranging from 0.05 to 0.15 wt pct and La content ranging from 0.05 to 0.30 wt pct. Combination of the experimental results with the thermodynamic analysis shows that the solubility of Fe in the alloy bath decreases with an increase of Ti content, which results in the formation of mass dross. Compared with the Ti-containing alloy, La promotes the formation of τ 5 phase (Fe2Al8Si). When both Ti and La are added, Fe4Al13, τ 5, τ 6 (β-Al4.5FeSi), TiAl3, and Ti2Al20La phases were observed. Since these IMCs would consume more Si in the bath, the decrease of Si content with Ti and La additions is more significant than that of the bath without these additions. Furthermore, the formation mechanism of Ti/TiAl3/Ti2La20La core-shell structure in the coating bath is proposed. This study has implications for strategic design of industry hot-dip production with exceptional mechanical properties of Al alloy coating.

  5. In situ study on the effect of thermomigration on intermetallic compounds growth in liquid-solid interfacial reaction

    SciTech Connect

    Qu, Lin; Zhao, Ning; Ma, Haitao Zhao, Huijing; Huang, Mingliang

    2014-05-28

    Synchrotron radiation real-time imaging technology was carried out in situ to observe and characterize the effect of thermomigration on the growth behavior of interfacial intermetallic compounds (IMCs) in Cu/Sn/Cu solder joint during soldering. The thermomigration resulted in asymmetrical formation and growth of the interfacial IMCs. Cu{sub 6}Sn{sub 5} and Cu{sub 3}Sn IMCs formed at the cold end and grew rapidly during the whole soldering process. However, only Cu{sub 6}Sn{sub 5} IMC formed at the hot end and remained relatively thin until solidification. The IMCs at the cold end were nearly seven times thicker than that at the hot end after solidification. The Cu dissolution at the cold end was significantly restrained, while that at the hot end was promoted, which supplied Cu atoms to diffuse toward the cold end under thermomigration to feed the rapid IMC growth. Moreover, the thermomigration also caused asymmetrical morphology of the interfacial IMCs at the cooling stage, i.e., the Cu{sub 6}Sn{sub 5} IMC at the cold end transformed into facet structure, while that at the hot end remained scallop-type. The asymmetrical growth behavior of the interfacial IMCs was analyzed from the view point of kinetics.

  6. Evidence of ferromagnetism in vanadium substituted layered intermetallic compounds RE (Co1-xVx) 2 Si2 (RE=Pr and Nd; 0 ≤ x ≤ 0.35)

    NASA Astrophysics Data System (ADS)

    Chowdhury, R. Roy; Dhara, S.; Bandyopadhyay, B.

    2016-03-01

    In intermetallic compounds RECo2Si2 (RE=Pr and Nd), cobalt has been partially substituted by vanadium to obtain RE(Co1-xVx)2Si2 (0 ≤ x ≤ 0.35). The parent compounds are antiferromagnetic below about 30 K due to the ordering of localized magnetic moments that are present only on rare-earth ions, cobalt being non-magnetic in the parent compounds. The present study demonstrates that in these compounds where 3 d and 4 f ions occupy different layers in the crystal structure, V substitution and subsequent lattice expansion results in the occurrence of inequivalent magnetic ions and complex interactions that lead to multiple magnetic transitions. At temperatures around 40-50 K, the temperature dependence of magnetization indicates a ferrimagnetic transition which is accompanied by a rapid decrease in the temperature dependence of resistivity. Below temperatures ∼30 K, the samples begin to show ferromagnetic-like behavior with the appearance of a coercive field and saturation in the magnetization at magnetic fields above ∼2 T. These two magnetic transitions are indicated also by prominent λ-like peaks in specific heat measurements. At around 10 K, a sharp drop in the resistivity indicates another magnetic transition which is followed by a rapid increase in coercive field with decrease in temperature. In a magnetic field of 9 T, the latter transition shifts to a lower temperature and that leads to a positive magnetoresistance. The onset of ferromagnetism at ∼30 K is accompanied with an exchange bias field which is observed for the first time in layered intermetallic compounds. The exchange bias field increases rapidly below the transition at ∼10 K and reaches ∼16% of coercive field at 2 K.

  7. Formation of NiAl Intermetallic Compound by Cold Spraying of Ball-Milled Ni/Al Alloy Powder Through Postannealing Treatment

    NASA Astrophysics Data System (ADS)

    Zhang, Qiang; Li, Chang-Jiu; Wang, Xiu-Ru; Ren, Zhi-Liang; Li, Cheng-Xin; Yang, Guan-Jun

    2008-12-01

    Ni/Al alloy powders were synthesized by ball milling of nickel-aluminum powder mixture with a Ni/Al atomic ratio of 1:1. Ni/Al alloy coating was deposited by cold spraying using N2 as accelerating gas. NiAl intermetallic compound was evolved in situ through postspray annealing treatment of cold-sprayed Ni/Al alloy coating. The effect of annealing temperature on the phase transformation behavior from Ni/Al mechanical alloy to intermetallics was investigated. The microstructure of the mechanically alloying Ni/Al powder and NiAl coatings was characterized by scanning electron microscopy and x-ray diffraction analysis. The results show that a dense Ni/Al alloy coating can be successfully deposited by cold spraying using the mechanically alloyed powder as feedstocks. The as-sprayed alloy coating exhibited a laminated microstructure retained from the mechanically alloying powder. The annealing of the subsequent Ni/Al alloy coating at a temperature higher than 850 °C leads to complete transformation from Ni/Al alloy to NiAl intermetallic compound.

  8. Theoretical studies of strongly correlated rare-earth intermetallics RIn₃ and RSn₃ (R=Sm, Eu, and Gd)

    SciTech Connect

    Shafiq, M.; Ahmad, Iftikhar E-mail: dr.iftikhar@uom.edu.pk; Jalali Asadabadi, S.

    2014-09-14

    In this paper, the structural, elastic, and electronic properties of RIn₃ and RSn₃ (R = Sm, Eu, Gd) compounds have been investigated using the full potential linearized augmented plane wave plus local orbital method within the density functional theory. The structural properties are investigated using the LDA, GGA, and the band correlated LDA+U and GGA+U schemes. The lattice parameters are in good agreement with the available experimental results and the divalent state of Eu is also verified. The spin-orbit coupling is included in order to predict the correct electronic properties and splitting of 4f states of the rare earth elements is also incorporated. We calculated Bulk modulus, shear modulus, Young's modulus, anisotropic ratio, Kleinman parameters, Poisson's ratio, Lame's co-efficient, sound velocities for shear and longitudinal waves, and Debye temperature. We also predict the Cauchy pressure and B/G ratio in order to explore the ductile and brittle behaviors of these compounds.

  9. Magnetotransport and magnetothermal properties of the ternary intermetallic compound TbFe2Al10

    NASA Astrophysics Data System (ADS)

    Khandelwal, Ashish; Chattopadhyay, M. K.; Roy, S. B.

    2016-09-01

    We have studied the temperature and field dependences of electrical resistivity and heat capacity of TbFe2Al10, and have also complimented the above studies with low field magnetization measurements. In zero magnetic field, TbFe2Al10 exhibits paramagnetic (PM) to ferrimagnetic (Ferri-I) and Ferri-I to antiferromagnetic (AFM) phase transitions below 17.6 and 10 K respectively. We have found that the electrical resistivity of TbFe2Al10 exhibits a sharp rise across the PM to Ferri-I phase transition in this compound. Our analysis indicates that this sharp rise of electrical resistivity is related to the formation of new zone boundaries (across the PM to Ferri-I phase transition) that reduce the area of the Fermi surface. We have found that TbFe2Al10 exhibits large magnetoresistance (MR) below 100 K. Overall, the MR behaviour of TbFe2Al10 below 17.6 K in different magnetic fields reveals strong competition between AFM and ferromagnetic (FM) correlations, which seems to be quite intrinsic to the magnetic structure of the compound. Our analysis indicates that the large MR and magnetocaloric effect persisting deep inside the PM regime of TbFe2Al10 is mainly related to the presence of FM spin fluctuations and the formation of a Griffiths like (GL) phase consisting of FM clusters within the PM regime. The formation of the GL phase may be mediated by the static crystal defects in the midst of the competing inter and intra layer magnetic interactions.

  10. Interaction Between the Growth and Dissolution of Intermetallic Compounds in the Interfacial Reaction Between Solid Iron and Liquid Aluminum

    NASA Astrophysics Data System (ADS)

    Chen, Shuhai; Yang, Dongdong; Zhang, Mingxin; Huang, Jihua; Zhao, Xingke

    2016-10-01

    The interfacial reaction between solid steel and liquid aluminum has been widely investigated in past decades; however, some issues, such as the solid/liquid interfacial structure, formation mechanisms of FeAl3 and Fe2Al5, and interaction between the growth and dissolution of intermetallic compounds, are still not fully understood. In this study, a hot-dipping method is designed to investigate the interfacial reaction in the temperature range between 973 K and 1273 K (700 °C 1000 °C) for 10 to 60 seconds. The intensification of the dissolution leads to the transformation of FeAl3/liquid aluminum into Fe2Al5/liquid aluminum in the solid/liquid structure with increasing reaction temperature. The formation of FeAl3 adhered to the interface depends not only on the reaction mechanism but also on precipitation at relatively low temperatures. In contrast, precipitation is the only formation mechanism for FeAl3 at relatively high temperatures. Austenitizing results in the complete transformation of the tongue-like Fe2Al5/Fe interface to a flat shape. The growth of Fe2Al5 with respect to the maximum thickness is governed by the interfacial reaction process, whereas the growth of Fe2Al5 with respect to the average thickness is governed by the diffusion process in the range of 973 K to 1173 K (700 °C to 900 °C) for 10 to 60 seconds. The dissolution of the parent metal is due to the natural dissolution of FeAl3 at low temperatures and Fe2Al5 at high temperatures.

  11. Dissolution and Interfacial Reactions of (Cu,Ni)6Sn5 Intermetallic Compound in Molten Sn-Cu-Ni Solders

    NASA Astrophysics Data System (ADS)

    Wang, Chao-hong; Lai, Wei-han; Chen, Sinn-wen

    2014-01-01

    (Cu,Ni)6Sn5 is an important intermetallic compound (IMC) in lead-free Sn-Ag-Cu solder joints on Ni substrate. The formation, growth, and microstructural evolution of (Cu,Ni)6Sn5 are closely correlated with the concentrations of Cu and Ni in the solder. This study reports the interfacial behaviors of (Cu,Ni)6Sn5 IMC (Sn-31 at.%Cu-24 at.%Ni) with various Sn-Cu, Sn-Ni, and Sn-Cu-Ni solders at 250°C. The (Cu,Ni)6Sn5 substrate remained intact for Sn-0.7 wt.%Cu solder. When the Cu concentration was decreased to 0.3 wt.%, (Cu,Ni)6Sn5 significantly dissolved into the molten solder. Moreover, (Cu,Ni)6Sn5 dissolution and (Ni,Cu)3Sn4 formation occurred simultaneously for the Sn-0.1 wt.%Ni solder. In Sn-0.5 wt.%Cu-0.2 wt.%Ni solder, many tiny (Cu,Ni)6Sn5 particulates were formed and dispersed in the solder matrix, while in Sn-0.3 wt.%Cu-0.2 wt.%Ni a lot of (Ni,Cu)3Sn4 grains were produced. Based on the local equilibrium hypothesis, these results are further discussed based on the liquid-(Cu, Ni)6Sn5-(Ni,Cu)3Sn4 tie-triangle, and the liquid apex is suggested to be very close to Sn-0.4 wt.%Cu-0.2 wt.%Ni.

  12. Polarity effect of electromigration on kinetics of intermetallic compound formation in Pb-free solder V-groove samples

    NASA Astrophysics Data System (ADS)

    Gan, H.; Tu, K. N.

    2005-03-01

    Intermetallic compound (IMC) formation is critical for the reliability of microelectronic interconnections, especially for flip chip solder joints. In this article, we investigate the polarity effect of electromigration on kinetics of IMC formation at the anode and the cathode in solder V-groove samples. We use V-groove solder line samples, with width of 100 μm and length of 500-700 μm, to study interfacial IMC growth between Cu electrodes and Sn-3.8Ag-0.7Cu (in wt %) solder under different current density and temperature settings. The current densities are in the range of 103 to 104A/cm2 and the temperature settings are 120, 150, and 180 °C. While the same types of IMCs, Cu6Sn5 and Cu3Sn, form at the solder/Cu interfaces independent of the passage of electric current, the growth of the IMC layer has been enhanced by electric current at the anode and inhibited at the cathode, in comparison with the no-current case. We present a kinetic model, based on the Cu mass transport in the sample, to explain the growth rate of IMC at the anode and cathode. The growth of IMC at the anode follows a parabolic growth rule, and we propose that the back stress induced in the IMC plays a significant role. The model is in good agreement with our experimental data. We then discuss the influence of both chemical force and electrical force, and their combined effect on the IMC growth with electric current.

  13. Solid state phase equilibria and intermetallic compounds of the Al-Cr-Ho system

    SciTech Connect

    Pang, Mingjun; Zhan, Yongzhong; Du, Yong

    2013-02-15

    The solid state phase equilibria of the Al-Cr-Ho ternary system at 500 Degree-Sign C were experimentally investigated. The phase relations at 500 Degree-Sign C are governed by 14 three-phase regions, 29 two-phase regions and 15 single-phase regions. The existences of 10 binary compounds and 2 ternary phases have been confirmed. Al{sub 11}Cr{sub 2}, Al{sub 11}Cr{sub 4} and Al{sub 17}Ho{sub 2} were not found at 500 Degree-Sign C. Crystal structures of Al{sub 9}Cr{sub 4} and Al{sub 8}Cr{sub 4}Ho were determined by the Rietveld X-ray powder data refinement. Al{sub 9}Cr{sub 4} was found to exhibit cubic structure with space group I4-bar 3m (no. 217) and lattice parameters a=0.9107(5) nm. Al{sub 8}Cr{sub 4}Ho crystallizes in ThMn{sub 12} structure type with space group I4/mmm (no. 139) and lattice parameters a=0.8909(4) nm, c=0.5120(5) nm. It is concluded that the obtained Al{sub 4}Cr phase in this work should be {mu}-Al{sub 4}Cr by comparing with XRD pattern of the hexagonal {mu}-Al{sub 4}Mn compound. - Graphical abstract: The solid state phase equilibria of the Al-Cr-Ho ternary system at 500 Degree-Sign C. Highlights: Black-Right-Pointing-Pointer Al-Cr-Ho system has been investigated. Black-Right-Pointing-Pointer Al{sub 9}Cr{sub 4} has cubic structure with space group I4-bar 3m. Black-Right-Pointing-Pointer Al{sub 8}Cr{sub 4}Ho crystallizes in ThMn{sub 12} type with space group I4/mmm. Black-Right-Pointing-Pointer Al{sub 4}Cr phase is {mu}-type at 500 Degree-Sign C.

  14. Crystal structure and chemical bonding of novel Li-containing polar intermetallic compound La{sub 11}Li{sub 12}Ge{sub 16}

    SciTech Connect

    Jung, Yaho; Nam, Gnu; Jeon, Jieun; Kim, Youngjo; You, Tae-Soo

    2012-12-15

    A novel Li-containing polar intermetallic compound La{sub 11}Li{sub 12}Ge{sub 16} has been synthesized using the high-temperature reaction method and characterized by both powder and single-crystal X-ray diffractions. The title compound crystallized in the orthorhombic crystal system (space group Immm, Z=2, Pearson symbol oI78) with fifteen crystallographically unique atomic positions in the asymmetric unit, and the lattice parameters are refined as a=4.5244(4) A, b=6.9932(6) A, and c=53.043(5) A. The complex crystal structure of the title compound can be described as a 2:1 intergrowth of two closely related compounds: La{sub 2}Li{sub 2}Ge{sub 3} (Ce{sub 2}Li{sub 2}Ge{sub 3}-type) and La{sub 3}Li{sub 4}Ge{sub 4} (Zr{sub 3}Cu{sub 4}Si{sub 4}-type) acting like 'building-blocks' along the c-axis. Six La sites are categorized into three distinct types based on the local coordination environment showing the coordination numbers of 12-14. Three unique Li sites are placed in the centers of local tetrahedra formed by four Ge atoms which eventually construct Ge{sub 2} dimers or 1-dimensional cis-/trans-Ge chains. Theoretical investigations using the tight-binding linear muffin-tin orbital (LMTO) method provide rationales for an improved structural stability and for unique local coordination geometries established by anionic elements including [LiGe{sub 4}] tetrahedra, cis-/trans-Ge chain and Ge{sub 2} dimers. - Graphical abstract: Reported is a novel ternary Li-containing polar intermetallic compound La{sub 11}Li{sub 12}Ge{sub 16}. The complex crystal structure can be viewed as a simple combination of two closely related known compounds acting as 'building-blocks', La{sub 2}Li{sub 2}G{sub 3} and La{sub 3}Li{sub 4}Ge{sub 4}, in a 2:1 stoichiometric ratio. Highlights: Black-Right-Pointing-Pointer A novel Li-containing polar intermetallic compound La{sub 11}Li{sub 12}Ge{sub 16} was synthesized. Black-Right-Pointing-Pointer The complex crystal structure was easily explained as

  15. The polarity effect of electromigration on intermetallic compound formation and back stress in v-groove solder lines

    NASA Astrophysics Data System (ADS)

    Ou, Shengquan

    2005-07-01

    The trend of the miniaturization of VLSI and electronic packaging toward higher input/output density, smaller feature size and greater performance makes electromigration a serious reliability concern in flip chip technology. As an integral part of the joint, intermetallic compound (IMC) formation is very important to achieve good joint strength. However, the effect of electromigration on the IMC formation is a subject in which still very little is known. We utilize solder v-groove samples etched on (001) Si wafer with 100 mum opening to study the polarity effect of electromigration on IMC formation in solder joints. We focus on the interaction between chemical and electrical forces, and the influence of interface morphology on the IMC dissolution. The current densities used are from 103 to 104 A/cm2 and the temperature settings are in the range of 120°C to 180°C. We have found in both 95.5Sn3.8Ag0.7Cu/Cu and 96.5Sn3.5Ag systems the growth of the IMC has been enhanced by electric current at the anode and inhibited at the cathode. For Ni-Sn compound, kinetic analysis using the motion of the two interfaces gives the general formula of the growth rate as dXdt=aX + b. We have introduced the concept of mean-field theory and the classic model of Zener's precipitation growth into the discussion of the Cu-Sn compound growth under electromigration. A parabolic dependence of the IMC growth on time at the anode is derived as x 2 ≅ (Cm-Ce)2 (Cs-Ce)2 Dt. The interaction between chemical and electrical forces brings a dynamic equilibrium in IMC dissolution at the cathode. This has been proved theoretically and experimentally. A new critical product has been derived from this dynamic equilibrium, which can provide us a critical IMC thickness before voids formation at a given current density. Our study shows the dissolution rate of Cu with current density 5x103 A/cm2 at 150°C is about 0.076 mum/hr. We also notice that the interface morphology plays an important role in the IMC

  16. Surface structures of In-Pd intermetallic compounds. I. Experimental study of In thin films on Pd(111) and alloy formation

    SciTech Connect

    McGuirk, G. M.; Ledieu, J.; Gaudry, É.; Weerd, M.-C. de; Fournée, V.

    2014-08-28

    A combination of experimental methods was used to study the structure of In thin films deposited on the Pd(111) surface and the alloying behavior. X-ray photoelectron spectroscopy (XPS), low-energy electron diffraction (LEED), and scanning tunneling microscopy results indicate that surface alloying takes place at room temperature. Below 2 monolayer equivalents (MLEs), the LEED patterns show the formation of three rotational domains of InPd(110) of poor structural quality on top of the Pd(111) substrate. Both core-levels and valence band XPS spectra show that the surface alloy does not yet exhibit the electronic structure characteristic of the 1:1 intermetallic compound under these conditions. Annealing the 1 MLE thin film up to 690 K yields to a transition from a multilayer InPd near-surface intermetallic phase to a monolayer-like surface alloy exhibiting a well ordered (√(3)×√(3)) R30{sup ∘} superstructure and an estimated composition close to In{sub 2}Pd{sub 3}. Annealing above 690 K leads to further In depletion and a (1 × 1) pattern is recovered. The (√(3)×√(3)) R30{sup ∘} superstructure is not observed for thicker films. Successive annealing of the 2 MLE thin film leads the progressive disappearance of the InPd diffraction spots till a sharp (1 × 1) pattern is recovered above 690 K. In the high coverage regime (from 4 to 35 MLE), the formation of three rotational domains of a bcc-In{sub 7}Pd{sub 3} compound with (110) orientation is observed. This In-rich phase probably grows on top of interfacial InPd(110) domains and is metastable. It transforms into a pure InPd(110) near-surface intermetallic phase in a temperature range between 500 and 600 K depending on the initial coverage. At this stage, the surface alloy exhibits core-level chemical shifts and valence band (VB) spectra identical to those of the 1:1 InPd intermetallic compound and resembling Cu-like density of states. Annealing at higher temperatures yields to a decrease of the In

  17. Surface structures of In-Pd intermetallic compounds. I. Experimental study of In thin films on Pd(111) and alloy formation

    NASA Astrophysics Data System (ADS)

    McGuirk, G. M.; Ledieu, J.; Gaudry, É.; de Weerd, M.-C.; Fournée, V.

    2014-08-01

    A combination of experimental methods was used to study the structure of In thin films deposited on the Pd(111) surface and the alloying behavior. X-ray photoelectron spectroscopy (XPS), low-energy electron diffraction (LEED), and scanning tunneling microscopy results indicate that surface alloying takes place at room temperature. Below 2 monolayer equivalents (MLEs), the LEED patterns show the formation of three rotational domains of InPd(110) of poor structural quality on top of the Pd(111) substrate. Both core-levels and valence band XPS spectra show that the surface alloy does not yet exhibit the electronic structure characteristic of the 1:1 intermetallic compound under these conditions. Annealing the 1 MLE thin film up to 690 K yields to a transition from a multilayer InPd near-surface intermetallic phase to a monolayer-like surface alloy exhibiting a well ordered (√{3}× &sqrt{3}); {R30}° superstructure and an estimated composition close to In2Pd3. Annealing above 690 K leads to further In depletion and a (1 × 1) pattern is recovered. The (√{3}× √{3}) {R30}° superstructure is not observed for thicker films. Successive annealing of the 2 MLE thin film leads the progressive disappearance of the InPd diffraction spots till a sharp (1 × 1) pattern is recovered above 690 K. In the high coverage regime (from 4 to 35 MLE), the formation of three rotational domains of a bcc-In7Pd3 compound with (110) orientation is observed. This In-rich phase probably grows on top of interfacial InPd(110) domains and is metastable. It transforms into a pure InPd(110) near-surface intermetallic phase in a temperature range between 500 and 600 K depending on the initial coverage. At this stage, the surface alloy exhibits core-level chemical shifts and valence band (VB) spectra identical to those of the 1:1 InPd intermetallic compound and resembling Cu-like density of states. Annealing at higher temperatures yields to a decrease of the In concentration in the near

  18. Interfacial reaction of intermetallic compounds of ultrasonic-assisted brazed joints between dissimilar alloys of Ti6Al4V and Al4Cu1Mg.

    PubMed

    Ma, Zhipeng; Zhao, Weiwei; Yan, Jiuchun; Li, Dacheng

    2011-09-01

    Ultrasonic-assisted brazing of Al4Cu1Mg and Ti6Al4V using Zn-based filler metal (without and with Si) has been investigated. Before brazing, the Ti6Al4V samples were pre-treated by hot-dip aluminizing and ultrasonic dipping in a molten filler metal bath in order to control the formation of intermetallic compounds between the Ti6Al4V samples and the filler metal. The results show that the TiAl(3) phase was formed in the interface between the Ti6Al4V substrate and the aluminized coating. For the Zn-based filler metal without Si, the Ti6Al4V interfacial area of the brazed joint did not change under the effect of the ultrasonic wave, and only consisted of the TiAl(3) phase. For the Zn-based filler metal with Si, the TiAl(3) phase disappeared and a Ti(7)Al(5)Si(12) phase was formed at the interfacial area of the brazed joints under the effect of the ultrasonic wave. Due to the TiAl(3) phase completely changing to a Ti(7)Al(5)Si(12) phase, the morphology of the intermetallic compounds changed from a block-like shape into a lamellar-like structure. The highest shear strength of 138MPa was obtained from the brazed joint free of the block-like TiAl(3) phase.

  19. Effects of Fe Fe bond length change in NaZn13-type intermetallic compounds on magnetic properties and magnetic entropy change

    NASA Astrophysics Data System (ADS)

    Wang, Guang-Jun; Hu, Feng-Xia; Wang, Fang; Shen, Bao-Gen

    2004-04-01

    In this paper the effects of Fe-Fe bond length change on magnetic properties and magnetic entropy change have been investigated on LaFe12.4-xSixCo0.6 and LaFe12.3-xAlxCo0.7 intermetallic compounds. According to the analyses of Fe-Fe bond length change, the variation of Curie temperature and the unusual magnetic phase transition which results in the large magnetic entropy change were explained. The effects of the substitution of Co and Si for Fe on magnetic entropy change and field-induced itinerant-electron metamagnetic transition in LaFe12.4-xSixCo0.6 compounds were also studied and the considerable magnetic entropy change has been achieved.

  20. Random-anisotropy ferromagnetic state in the C u5G d0.54C a0.42 intermetallic compound

    NASA Astrophysics Data System (ADS)

    Krnel, M.; Vrtnik, S.; Koželj, P.; Kocjan, A.; Jagličić, Z.; Boulet, P.; de Weerd, M. C.; Dubois, J. M.; Dolinšek, J.

    2016-03-01

    By applying the alloy design concept that stable intermetallic phases between two immiscible elements can be formed by adding a third element that forms stable compounds with both elements, we have synthesized the first known stable intermetallic compound of Cu, Gd, and Ca, where copper acts as the mediating element between the immiscible Gd and Ca. A compound with the composition C u84G d9C a7 (equivalent to C u5G d0.54C a0.42 ) was synthesized by the Czochralski technique in the form of a large single crystal of high structural perfection, and the structural model was determined by x-ray diffraction (XRD). The compound crystallizes in the hexagonal system, space group P 6 /mmm, and the crystal structure is isotypic to the C u5.44T b0.78 . The unit cell contains inherent disorder due to partial occupation of the Cu3 site and the substitutional disorder at the Gd/Ca mixed site located at the vertices of the hexagonal unit cell, where Gd and Ca randomly substitute each other. The random substitution of magnetic Gd by nonmagnetic Ca atoms makes the magnetic Gd lattice disordered, which leads to interesting magnetic ordering at low temperatures that occurs below TC=24 K in zero and low external magnetic fields. By performing a large set of complementary experiments along two perpendicular crystallographic directions (the [001] hexagonal-axis direction and the [100] hexagonal-plane direction), we show that the zero-field collective magnetic state can be described as a random-anisotropy ferromagnetic state, where random magnetic anisotropies originate from the magnetic dipole interactions between the Gd moments in the magnetically disordered lattice. The random-anisotropy ferromagnetic state in the C u84G d9C a7 is characterized by randomness and frustration of magnetic interactions, which are the two ingredients that allow classifying this state into the generic class of spin glasses. Our paper opens the possibility to search for new ternary intermetallic phases in the

  1. Circular magnetic x-ray dichroism in rare earth compounds

    SciTech Connect

    Jonathan, L.

    1993-09-30

    This report discusses the following topics: Circular magnetic x-ray dichroism at the ER L{sub 3} Edge; angular dependence of circular magnetic x-ray dichroism in rare earth compounds: and circular magnetic x-ray dichroism in crystalline and amorphous GDFE{sub 2}.

  2. Magnetic structure of R2CoGa8 (R = Gd, Tb, and Dy): Structural tuning of magnetic properties in layered Ga-based intermetallic compounds

    NASA Astrophysics Data System (ADS)

    Mardegan, J. R. L.; Adriano, C.; Vescovi, R. F. C.; Faria, G. A.; Pagliuso, P. G.; Giles, C.

    2014-03-01

    In this work we have determined the magnetic structure of R2CoGa8 (R = Gd, Tb, and Dy) intermetallic compounds using x-ray resonant magnetic scattering in order to study the evolution of the anisotropic magnetic properties along the series for R = Gd-Tm. The three compounds have a commensurate antiferromagnetic spin structure with a magnetic propagation vector τ⃗= (1/2,1/2,1/2) and a Néel temperature of approximately 20, 28.5, and 15.2 K for R = Gd, Tb, and Dy, respectively. The critical exponent β obtained from the temperature dependence of the magnetic peaks suggest a three-dimensional universality class for the three compounds. Comparing the simulated and integrated intensities we conclude that the magnetic moment direction is in the ab plane for the Gd2CoGa8 compound and parallel to the c axis for the Tb2CoGa8 and Dy2CoGa8 compounds. The evolution of the magnetic properties of the R2CoGa8 series for R = Gd-Tm is discussed taking into account the indirect Ruderman-Kittel-Kasuya-Yoshida interaction and crystalline-electric field effects. The comparison between the reported magnetic properties of the Ga-based compounds with those for the In-based isostructural family reveals differences in their exchange couplings that contribute to the understanding of the role of the f-electron magnetism in these classes of materials.

  3. Comparison of Sn-Ag-Cu Solder Alloy Intermetallic Compound Growth Under Different Thermal Excursions for Fine-Pitch Flip-Chip Assemblies

    NASA Astrophysics Data System (ADS)

    Tian, Ye; Liu, Xi; Chow, Justin; Wu, Yi Ping; Sitaraman, Suresh K.

    2013-08-01

    The intermetallic compound (IMC) evolution in Cu pad/Sn-Ag-Cu solder interface and Sn-Ag-Cu solder/Ni pad interface was investigated using thermal shock experiments with 100- μm-pitch flip-chip assemblies. The experiments show that low standoff height of solder joints and high thermomechanical stress play a great role in the interfacial IMC microstructure evolution under thermal shock, and strong cross-reaction of pad metallurgies is evident in the intermetallic growth. Furthermore, by comparing the IMC growth during thermal aging and thermal shock, it was found that thermal shock accelerates IMC growth and that kinetic models based on thermal aging experiments underpredict IMC growth in thermal shock experiments. Therefore, new diffusion kinetic parameters were determined for the growth of (Cu,Ni)6Sn5 using thermal shock experiments, and the Cu diffusion coefficient through the IMC layer was calculated to be 0.2028 μm2/h under thermal shock. Finite-element models also show that the solder stresses are higher under thermal shock, which could explain why the IMC growth is faster and greater under thermal shock cycling as opposed to thermal aging.

  4. A COMPOUND MODEL FOR THE ORIGIN OF EARTH'S WATER

    SciTech Connect

    Izidoro, A.; Winter, O. C.; De Souza Torres, K.; Haghighipour, N.

    2013-04-10

    One of the most important subjects of debate in the formation of the solar system is the origin of Earth's water. Comets have long been considered as the most likely source of the delivery of water to Earth. However, elemental and isotopic arguments suggest a very small contribution from these objects. Other sources have also been proposed, among which local adsorption of water vapor onto dust grains in the primordial nebula and delivery through planetesimals and planetary embryos have become more prominent. However, no sole source of water provides a satisfactory explanation for Earth's water as a whole. In view of that, using numerical simulations, we have developed a compound model incorporating both the principal endogenous and exogenous theories, and investigating their implications for terrestrial planet formation and water delivery. Comets are also considered in the final analysis, as it is likely that at least some of Earth's water has cometary origin. We analyze our results comparing two different water distribution models, and complement our study using the D/H ratio, finding possible relative contributions from each source and focusing on planets formed in the habitable zone. We find that the compound model plays an important role by showing greater advantage in the amount and time of water delivery in Earth-like planets.

  5. Enhancement on wettability and intermetallic compound formation with an addition of Al on Sn-0.7Cu lead-free solder fabricated via powder metallurgy method

    NASA Astrophysics Data System (ADS)

    Adli, Nisrin; Razak, Nurul Razliana Abdul; Saud, Norainiza

    2016-07-01

    Due to the toxicity of lead (Pb), the exploration of another possibility for lead-free solder is necessary. Nowadays, SnCu alloys are being established as one of the lead-free solder alternatives. In this study, Sn-0.7Cu lead-free solder with an addition of 1wt% and 5wt% Al were investigated by using powder metallurgy method. The effect of Al addition on the wettability and intermetallic compound thickness (IMC) of Sn-0.7Cu-Al lead-free solder were appraised. Results showed that Al having a high potential to enhance Sn-0.7Cu lead-free solder due to its good wetting and reduction of IMC thickness. The contact angle and IMC of the Sn-0.7Cu-Al lead-free solder were decreased by 14.32% and 40% as the Al content increased from 1 wt% to 5 wt%.

  6. Influence of nanoparticle addition on the formation and growth of intermetallic compounds (IMCs) in Cu/Sn-Ag-Cu/Cu solder joint during different thermal conditions

    NASA Astrophysics Data System (ADS)

    Tan, Ai Ting; Tan, Ai Wen; Yusof, Farazila

    2015-06-01

    Nanocomposite lead-free solders are gaining prominence as replacements for conventional lead-free solders such as Sn-Ag-Cu solder in the electronic packaging industry. They are fabricated by adding nanoparticles such as metallic and ceramic particles into conventional lead-free solder. It is reported that the addition of such nanoparticles could strengthen the solder matrix, refine the intermetallic compounds (IMCs) formed and suppress the growth of IMCs when the joint is subjected to different thermal conditions such as thermal aging and thermal cycling. In this paper, we first review the fundamental studies on the formation and growth of IMCs in lead-free solder joints. Subsequently, we discuss the effect of the addition of nanoparticles on IMC formation and their growth under several thermal conditions. Finally, an outlook on the future growth of research in the fabrication of nanocomposite solder is provided.

  7. Ba{sub 5}Ti{sub 12}Sb{sub 19+x}, a polar intermetallic compound with a stuffed gamma-brass structure

    SciTech Connect

    Bie Haiying; Mar, Arthur

    2009-11-15

    The polar intermetallic compound Ba{sub 5}Ti{sub 12}Sb{sub 19+x} (x<=0.2) has been synthesized by reaction of the elements. Single-crystal X-ray diffraction analysis revealed that it adopts a new structure type (Ba{sub 5}Ti{sub 12}Sb{sub 19.102(6)}, space group P43-barm, Z=2, a=12.4223(11) A, V=1916.9(3) A{sup 3}). The set of Ba and Sb sites corresponds to the structure of Cu{sub 9}Al{sub 4}, a gamma-brass type with a primitive cell. A complex three-dimensional framework of Ti atoms, in the form of linked planar Ti{sub 9} clusters, is stuffed within the gamma-brass-type Ba-Sb substructure. Notwithstanding its relationship to the gamma-brass structure, the compound does not appear to conform to the Hume-Rothery electron concentration rules. Band structure calculations on an idealized Ba{sub 5}Ti{sub 12}Sb{sub 19} model suggest that the availability of bonding states above the Fermi level is responsible for the partial occupation, but only to a limited degree, of an additional Sb site within the structure. Magnetic measurements indicated Pauli paramagnetic behaviour. - A gamma-brass substructure built up of Ba-Sb clusters is stuffed with planar Ti{sub 9} clusters.

  8. Double-exchange mechanism in rare-earth compounds

    SciTech Connect

    Gulacsi, M.

    2015-03-15

    We show that double-exchange mechanism is responsible for ferromagnetism in low dimensional rare-earth compounds. We use the bosonized version of the one-dimensional Anderson lattice model in Toulouse limit to characterize the properties of the emerging ferromagnetic phase. We give a comprehensive description of the ferromagnetic ordering of the correlated electrons which appears at intermediate couplings and doping. The obtained ferromagnetic phase transitions have been identified to be an order–disorder transition of the quantum random transverse-field Ising type.

  9. A tale of two metals: new cerium iron borocarbide intermetallics grown from rare-earth/transition metal eutectic fluxes.

    PubMed

    Tucker, Patricia C; Nyffeler, Jason; Chen, Banghao; Ozarowski, Andrew; Stillwell, Ryan; Latturner, Susan E

    2012-07-25

    R(33)Fe(14-x)Al(x+y)B(25-y)C(34) (R = La or Ce; x ≤ 0.9; y ≤ 0.2) and R(33)Fe(13-x)Al(x)B(18)C(34) (R = Ce or Pr; x < 0.1) were synthesized from reactions of iron with boron, carbon, and aluminum in R-T eutectic fluxes (T = Fe, Co, or Ni). These phases crystallize in the cubic space group Im3m (a = 14.617(1) Å, Z = 2, R(1) = 0.0155 for Ce(33)Fe(13.1)Al(1.1)B(24.8)C(34), and a = 14.246(8) Å, Z = 2, R(1) = 0.0142 for Ce(33)Fe(13)B(18)C(34)). Their structures can be described as body-centered cubic arrays of large Fe(13) or Fe(14) clusters which are capped by borocarbide chains and surrounded by rare earth cations. The magnetic behavior of the cerium-containing analogs is complicated by the possibility of two valence states for cerium and possible presence of magnetic moments on the iron sites. Temperature-dependent magnetic susceptibility measurements and Mössbauer data show that the boron-centered Fe(14) clusters in Ce(33)Fe(14-x)Al(x+y)B(25-y)C(34) are not magnetic. X-ray photoelectron spectroscopy data indicate that the cerium is trivalent at room temperature, but the temperature dependence of the resistivity and the magnetic susceptibility data suggest Ce(3+/4+) valence fluctuation beginning at 120 K. Bond length analysis and XPS studies of Ce(33)Fe(13)B(18)C(34) indicate the cerium in this phase is tetravalent, and the observed magnetic ordering at T(C) = 180 K is due to magnetic moments on the Fe(13) clusters. PMID:22731682

  10. On the RMgSn rare earth compounds

    SciTech Connect

    Manfrinetti, P.; Provino, A.; Gschneidner, K. A.

    2009-04-07

    A new family of ternary rare earth compounds, RMgSn, has been synthesized and their crystal structures, formation thermodynamics and melting behavior have been studied. All of the rare earth elements (including Y) form the 1:1:1 equiatomic phase with Mg and Sn. These compounds crystallize with two different structure types: the RMgSn phases with the light R (R = La, Ce and Pr) adopt the orthorhombic TiNiSi structure type (an ordered derivative of the Co{sub 2}Si-type structure, oP12, space group Pnma), while the ones formed by the heavier R (R = Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm and Lu, plus Y) have the tetragonal CeScSi-type structure (an ordered derivative of the La{sub 2}Sb-type structure, t/12, space group/4/mmm). The observed unit cell volume V{sub obs} and the mean atomic volume V{sub obs}/n (where n is the number of atoms in a unit cell) both decrease as expected due to the lanthanide contraction, but following different trends. The volume of formation ({Delta}V%) becomes more negative on going from La to Lu along the series. All phases have been found to form congruently (including YMgSn and probably LuMgSn). Their melting temperatures decrease from La to Lu, but with different slopes for the two different structure types. Relationships, between the volume of formation and also the melting points with the lanthanide contraction have been examined. The relationship between the former is anomalous compared to that observed for other R{sub x}M{sub y} series of compounds, while the latter relationship is consistent with previously published results.

  11. Hyperfine field at Mn in the intermetallic compound LaMnSi2 measured by PAC using 111Cd nuclear probe

    NASA Astrophysics Data System (ADS)

    Domienikan, C.; Bosch-Santos, B.; Cabrera Pasca, G. A.; Saxena, R. N.; Carbonari, A. W.

    2015-04-01

    Magnetic hyperfine field at Mn site has been measured in the orthorhombic intermetallic compound LaMnSi2 with PAC spectroscopy using radioactive 111In- 111Cd nuclear probe. Samples of LaMnSi2 were prepared by melting pure metallic components in stoichiometric proportion in an arc furnace under argon atmosphere. The samples were sealed in a quartz tube under helium atmosphere, annealed at 1000 °C for 60 h and quenched in water. Samples were analyzed with X-ray diffraction method. 111In was introduced in the samples by thermal diffusion at 1000 °C for 60 h. PAC measurements were carried out with a six BaF2 detector spectrometer at several temperatures between 50 K and 410 K. Results show well defined quadrupole and magnetic interactions at all temperatures. The magnetic hyperfine field (Bhf) measured at 50 K is 7.1(1) T. The temperature dependence of Bhf follows the normal Brillouin-like behavior expected for a simple ferromagnetic ordering. The ferromagnetic transition temperature (Tc) was determined to be 401(1) K.

  12. Evolution of the Intermetallic Compounds in Ni/Sn-2.5Ag/Ni Microbumps for Three-Dimensional Integrated Circuits

    NASA Astrophysics Data System (ADS)

    Hsu, H. H.; Huang, Y. T.; Huang, S. Y.; Chang, T. C.; Wu, Albert T.

    2015-10-01

    Ni/Sn-2.5Ag/Ni samples were used to simulate the microbumps in three-dimensional (3D) packaging. The annealed test was adopted to observe the microstructure of intermetallic compound formation at 100°C, 125°C, and 150°C up to 1000 h. In the Ni/Sn-2.5Ag/Ni, predominant phases of layer-type Ni3Sn4 and Ag3Sn particles could be seen under the thermal treatment. The formation of Ni3Sn4 followed a parabolic rate law at each aging temperature. Due to the limited solder volume, the remaining solder of the microbump was completely exhausted after long-time annealing at 150°C. The activation energy for Ni3Sn4 formation in the Ni/Sn-2.5Ag/Ni microbump was 171.8 kJ/mol. Furthermore, the consumption of the Ni under bump metallization (UBM) was estimated based on the mass balance of Ni atoms during the interfacial reaction.

  13. Asymmetrical Precipitation of Ag3Sn Intermetallic Compounds Induced by Thermomigration of Ag in Pb-Free Microbumps During Solid-State Aging

    NASA Astrophysics Data System (ADS)

    Su, Yu-Ping; Wu, Chun-Sen; Ouyang, Fan-Yi

    2016-01-01

    Three-dimensional integrated circuit technology has become a major trend in electronics packaging in the microelectronics industry. To effectively remove heat from stacked integrated circuitry, a temperature gradient must be established across the chips. Furthermore, because of the trend toward higher device current density, Joule heating is more serious and temperature gradients across soldered joints are expected to increase. In this study we used heat-sink and heat-source devices to establish a temperature gradient across SnAg microbumps to investigate the thermomigration behavior of Ag in SnAg solder. Compared with isothermal conditions, small Ag3Sn particles near the hot end were dissolved and redistributed toward the cold end under a temperature gradient. The results indicated that temperature gradient-induced movement of Ag atoms occurred from the hot side toward the cold side, and asymmetrical precipitation of Ag3Sn resulted. The mechanism of growth of the intermetallic compound (IMC) Ag3Sn, caused by thermomigration of Ag, is discussed. The rate of growth Ag3Sn IMC at the cold side was found to increase linearly with solid-aging time under a temperature gradient. To understand the force driving Ag diffusion under the temperature gradient, the molar heat of transport ( Q*) of Ag in Sn was calculated as +13.34 kJ/mole.

  14. Growth Behavior of Intermetallic Compounds in Cu/Sn3.0Ag0.5Cu Solder Joints with Different Rates of Cooling

    NASA Astrophysics Data System (ADS)

    Yang, Linmei; Zhang, Z. F.

    2015-01-01

    The growth behavior of intermetallic compounds (IMC) in Cu/Sn3.0Ag0.5Cu solder joints, including the interfacial Cu6Sn5 layer and Ag3Sn, and Cu6Sn5 in the solder, were investigated when different cooling methods—quenched water, cooling in air, and cooling in a furnace after reflow—were used. For the solder joint quenched in water, no obvious Cu6Sn5 or Ag3Sn was detected in the solder, and the thickness of interfacial Cu6Sn5 layer was slightly thinner than that of the joint cooled in air. On the basis of results from scanning electron microscopy and energy-dispersive spectrometry, a mechanism is proposed for growth of IMC in Sn3.0Ag0.5Cu solder during solidification. The rate of cooling has a substantial effect on the morphology and size of Ag3Sn, which evolved into large plate-like shapes when the joint was cooled slowly in a furnace. However, the morphology of Ag3Sn was branch-like or particle-like when the joint was cooled in air. This is attributed to re-growth of Ag3Sn grains via substantial atomic diffusion during the high-temperature stage of furnace cooling.

  15. Perpendicular Growth Characteristics of Cu-Sn Intermetallic Compounds at the Surface of 99Sn-1Cu/Cu Solder Interconnects

    NASA Astrophysics Data System (ADS)

    Chen, Zhiwen; Liu, Changqing; Wu, Yiping; An, Bing

    2015-12-01

    The growth of intermetallic compounds (IMCs) on the free surface of 99Sn-1Cu solder joints perpendicular to the interdiffusion direction has been investigated in this work. The specimens were specifically designed and polished to reveal a flat free surface at the solder/Cu interface for investigation. After aging at 175°C for progressively increased durations, the height of the perpendicular IMCs was examined and found to follow a parabolic law with aging duration that could be expressed as y = 0.11√ t, where t is the aging duration in hours and y is the height of the perpendicular IMCs in μm. For comparison, the planar growth of IMCs along the interdiffusion direction was also investigated in 99Sn-1Cu/Cu solder joints. After prolonged aging at 175°C, the thickness of the planar interfacial IMC layers also increased parabolically with aging duration and could be expressed as h_{{IMC}} = 0.27√ t + 4.6, where h is the thickness in μm and t is the time in hours. It was found that both the planar and perpendicular growth of the IMCs were diffusion-controlled processes, but the perpendicular growth of the IMCs was much slower than their planar growth due to the longer diffusion distance. It is proposed that Cu3Sn forms prior to the formation of Cu6Sn5 in the perpendicular IMCs, being the reverse order compared with the planar IMC growth.

  16. Magnetostriction of some rare earth-aluminum Laves phase compounds

    NASA Technical Reports Server (NTRS)

    Pourarian, F.; Wallace, W. E.

    1979-01-01

    Measurements of the linear and volume magnetostriction of RAl2 cubic Laves compounds in which R is one of the rare earth elements Gd, Dy, Ho or Er, at temperatures between 4.2 K and the Curie temperature of each compound, are reported. Magnetic fields up to 2.5 Tesla were applied, and magnetostriction was measured using standard strain gage techniques. Saturation magnetostrictions of 17 x 10 to the -6th, -1420 x 10 to the -6th, 60 x 10 to the -6th and -920 x 10 to the -6th are determined at 4.2 K for GdAl2, DyAl2, HoAl2 and ErAl2, respectively. Large forced magnetostriction is observed in GdAl2 above the saturation field and the strain temperature dependence shows a decrease in magnitude below 40 K. A linear dependence of magnetostriction on magnetic field was observed for DyAl2 above 40 K, and the observed temperature dependence is interpreted in terms of the lowest order single-ion magnetoelastic theory. An observed decrease in the magnitude of the strain of HoAl2 below 15 K is associated with a change of the easy direction of magnetization, while in the case of ErAl2, magnetostriction is observed to occur normally up to the Curie temperature. Large volume magnetostriction is obtained for all the compounds with the exception of GdAl2.

  17. Magnetocaloric effects in RTX intermetallic compounds (R = Gd-Tm, T = Fe-Cu and Pd, X = Al and Si)

    NASA Astrophysics Data System (ADS)

    Zhang, Hu; Shen, Bao-Gen

    2015-12-01

    The magnetocaloric effect (MCE) of RTSi and RT Al systems with R = Gd-Tm, T = Fe-Cu and Pd, which have been widely investigated in recent years, is reviewed. It is found that these RTX compounds exhibit various crystal structures and magnetic properties, which then result in different MCE. Large MCE has been observed not only in the typical ferromagnetic materials but also in the antiferromagnetic materials. The magnetic properties have been studied in detail to discuss the physical mechanism of large MCE in RTX compounds. Particularly, some RTX compounds such as ErFeSi, HoCuSi, HoCuAl exhibit large reversible MCE under low magnetic field change, which suggests that these compounds could be promising materials for magnetic refrigeration in a low temperature range. Project supported by the National Natural Science Foundation of China (Grant Nos. 51371026, 11274357, and 51327806) and the Fundamental Research Funds for the Central Universities (Grant Nos. FRF-TP-14-011A2 and FRF-TP-15-002A3).

  18. Exposure, metabolism, and toxicity of rare earths and related compounds.

    PubMed Central

    Hirano, S; Suzuki, K T

    1996-01-01

    For the past three decades, most attention in heavy metal toxicology has been paid to cadmium, mercury, lead, chromium, nickel, vanadium, and tin because these metals widely polluted the environment. However, with the development of new materials in the last decade, the need for toxicological studies on those new materials has been increasing. A group of rare earths (RE) is a good example. Although some RE have been used for superconductors, plastic magnets, and ceramics, few toxicological data are available compared to other heavy metals described above. Because chemical properties of RE are very similar, it is plausible that their binding affinities to biomolecules, metabolism, and toxicity in the living system are also very similar. In this report, we present an overview of the metabolism and health hazards of RE and related compounds, including our recent studies. Images Figure 1. A Figure 1. B Figure 1. C PMID:8722113

  19. Synthesis and characterization of Fe-Ti-Sb intermetallic compounds: Discovery of a new Slater-Pauling phase

    NASA Astrophysics Data System (ADS)

    Naghibolashrafi, N.; Keshavarz, S.; Hegde, Vinay I.; Gupta, A.; Butler, W. H.; Romero, J.; Munira, K.; LeClair, P.; Mazumdar, D.; Ma, J.; Ghosh, A. W.; Wolverton, C.

    2016-03-01

    Compounds of Fe, Ti, and Sb were prepared using arc melting and vacuum annealing. Fe2TiSb , expected to be a full Heusler compound crystallizing in the L 21 structure, was shown by XRD and SEM analyses to be composed of weakly magnetic grains of nominal composition Fe1.5TiSb with iron-rich precipitates in the grain boundaries. FeTiSb, a composition consistent with the formation of a half-Heusler compound, also decomposed into Fe1.5TiSb grains with Ti-Sb rich precipitates and was weakly magnetic. The dominant Fe1.5TiSb phase appears to crystallize in a defective L 21 -like structure with iron vacancies. Based on this finding, a first-principles DFT-based binary cluster expansion of Fe and vacancies on the Fe sublattice of the L 21 structure was performed. Using the cluster expansion, we computationally scanned >103 configurations and predict a novel, stable, nonmagnetic semiconductor phase to be the zero-temperature ground state. This new structure is an ordered arrangement of Fe and vacancies, belonging to the space group R 3 m , with composition Fe1.5TiSb , i.e., between the full- and half-Heusler compositions. This phase can be visualized as alternate layers of L 21 phase Fe2TiSb and C 1b phase FeTiSb, with layering along the [111] direction of the original cubic phases. Our experimental results on annealed samples support this predicted ground-state composition, but further work is required to confirm that the R 3 m structure is the ground state.

  20. The analysis of the magnetic properties in the intermetallic YxGd1-xNi3 compounds

    NASA Astrophysics Data System (ADS)

    Bajorek, Anna; Chrobak, Artur; Chełkowska, Grażyna; Kwiecień-Grudziecka, Marzena

    2012-12-01

    In the paper an influence of Gd/Y substitution on the magnetic properties and exchange interactions of the YxGd1-xNi3 (x=0.0, 0.2, 0.4, 0.6, 0.8, 1.0) polycrystalline compounds have been studied. The partial replacement of Gd by Y atoms is reflected in decreasing of the Curie temperature (TC) as well as decreasing of effective the magnetic moment (μeff). It has been shown that such a behaviour strongly depends on the magnetic interactions. Exchange coupling parameters of R-R (ARR), T-T (ATT) and R-T (ART) have been evaluated from M(T) magnetization curves (2-300 K, 2 T) based on the mean field theory (MFT) calculation. The magnetocaloric effect (MCE) has been estimated from the family of magnetic isotherms. The magnetic entropy indicates relatively small change with the Gd/Y substitution. The value of ΔSm(T,H) is higher for Gd-rich compounds and, respectively, decreases with Gd/Y substitution.

  1. Growth kinetics of Cu6Sn5 intermetallic compound at liquid-solid interfaces in Cu/Sn/Cu interconnects under temperature gradient

    PubMed Central

    Zhao, N.; Zhong, Y.; Huang, M.L.; Ma, H.T.; Dong, W.

    2015-01-01

    The growth behavior of intermetallic compounds (IMCs) at the liquid-solid interfaces in Cu/Sn/Cu interconnects during reflow at 250 °C and 280 °C on a hot plate was investigated. Being different from the symmetrical growth during isothermal aging, the interfacial IMCs showed clearly asymmetrical growth during reflow, i.e., the growth of Cu6Sn5 IMC at the cold end was significantly enhanced while that of Cu3Sn IMC was hindered especially at the hot end. It was found that the temperature gradient had caused the mass migration of Cu atoms from the hot end toward the cold end, resulting in sufficient Cu atomic flux for interfacial reaction at the cold end while inadequate Cu atomic flux at the hot end. The growth mechanism was considered as reaction/thermomigration-controlled at the cold end and grain boundary diffusion/thermomigration-controlled at the hot end. A growth model was established to explain the growth kinetics of the Cu6Sn5 IMC at both cold and hot ends. The molar heat of transport of Cu atoms in molten Sn was calculated as + 11.12 kJ/mol at 250 °C and + 14.65 kJ/mol at 280 °C. The corresponding driving force of thermomigration in molten Sn was estimated as 4.82 × 10−19 N and 6.80 × 10−19 N. PMID:26311323

  2. The effect of intermetallic compound evolution on the fracture behavior of Au stud bumps joined with Sn-3.5Ag solder

    NASA Astrophysics Data System (ADS)

    Lee, Young-Kyu; Ko, Yong-Ho; Kim, Jun-Ki; Lee, Chang-Woo; Yoo, Sehoon

    2013-01-01

    The microstructure and joint properties of Au stud bumps joined with Sn-3.5Ag solder were investigated as functions of flip chip bonding temperature and aging time. Au stud bumps were bonded on solder-onpad (SOP) at bonding temperature of 260°C and 300°C for 10 s, respectively. Aging treatment was carried out at 150°C for 100 h, 300 h, and 500 h, respectively. After flip chip bonding, intermetallic compounds (IMCs) of AuSn, AuSn2, and AuSn4 were formed at the interface between the Au stud bump and Sn-3.5Ag solder. At a bonding temperature of 300°C, AuSn2 IMC clusters, which were surrounded by AuSn4 IMCs, were observed in the Sn-3.5Ag solder bump. After flip chip bonding, bonding strength was approximately 220.5mN/bump. As aging time increased, the bonding strength decreased. After 100 h of aging treatment, the bonding strength of the joint bonded at 300°C was lower than that bonded at 260°C due to the fast growth rate of the AuSn2 IMCs. The main failure modes were interface fractures between the AuSn2 IMCs and AuSn4 IMCs, fractures through the AuSn2 IMCs and pad lift. Initial joint microstructures after flip chip bonding strongly affected the bonding strengths of aged samples.

  3. The magnetic behavior of the intermetallic compound NdMn{sub 2}Ge{sub 2} studied by magnetization and hyperfine interactions measurements

    SciTech Connect

    Bosch-Santos, B. Carbonari, A. W.; Cabrera-Pasca, G. A.; Saxena, R. N.; Freitas, R. S.

    2015-05-07

    The magnetic behavior of the intermetallic compound NdMn{sub 2}Ge{sub 2} was investigated by bulk magnetization measurements and measurements of hyperfine interactions using perturbed γ–γ angular correlation (PAC) spectroscopy. Magnetization measurements indicate the presence of four magnetic transitions associated with the Mn and Nd magnetic sublattices. At high temperatures, magnetic measurements show a change in the slope of the magnetization due to an antiferromagnetic transition around T{sub N} ∼ 425 K and a well defined ferromagnetic transition at T{sub C} ∼ 320 K. Moreover, at ∼210 K a peak is observed in the magnetization curve, which is assigned to the reorientation of the Mn spin, and at ∼25 K an increase in the magnetic moment is also observed, which is ascribed to the ordering of Nd ions. PAC measurements using {sup 140}La({sup 140}Ce) and {sup 111}In({sup 111}Cd) probe nuclei allowed the determination of the temperature dependence of the magnetic hyperfine field (B{sub hf}) at Nd and Mn sites, respectively. PAC results with {sup 111}Cd probe nuclei at Mn sites show that the dependence of B{sub hf} with temperature follows the expected behavior for the host magnetization associated with the magnetic ordering of Mn ions. From these results, the antiferromagnetic transition followed by a ferromagnetic ordering is clearly observed. PAC results with {sup 140}Ce probe nuclei at Nd sites, however, showed a strong deviation from the Brillouin function, which is attributed to the Ce 4f-electron contribution to B{sub hf}.

  4. Controlling Interfacial Reactions and Intermetallic Compound Growth at the Interface of a Lead-free Solder Joint with Layer-by-Layer Transferred Graphene.

    PubMed

    Ko, Yong-Ho; Lee, Jong-Dae; Yoon, Taeshik; Lee, Chang-Woo; Kim, Taek-Soo

    2016-03-01

    The immoderate growth of intermetallic compounds (IMCs) formed at the interface of a solder metal and the substrate during soldering can degrade the mechanical properties and reliability of a solder joint in electronic packaging. Therefore, it is critical to control IMC growth at the solder joints between the solder and the substrate. In this study, we investigated the control of interfacial reactions and IMC growth by the layer-by-layer transfer of graphene during the reflow process at the interface between Sn-3.0Ag-0.5Cu (in wt %) lead-free solder and Cu. As the number of graphene layers transferred onto the surface of the Cu substrate increased, the thickness of the total IMC (Cu6Sn5 and Cu3Sn) layer decreased. After 10 repetitions of the reflow process for 50 s above 217 °C, the melting temperature of Sn-3.0Ag-0.5Cu, with a peak temperature of 250 °C, the increase in thickness of the total IMC layer at the interface with multiple layers of graphene was decreased by more than 20% compared to that at the interface of bare Cu without graphene. Furthermore, the average diameter of the Cu6Sn5 scallops at the interface with multiple layers of graphene was smaller than that at the interface without graphene. Despite 10 repetitions of the reflow process, the growth of Cu3Sn at the interface with multiple layers of graphene was suppressed by more than 20% compared with that at the interface without graphene. The multiple layers of graphene at the interface between the solder metal and the Cu substrate hindered the diffusion of Cu atoms from the Cu substrate and suppressed the reactions between Cu and Sn in the solder. Thus, the multiple layers of graphene transferred at the interface between dissimilar metals can control the interfacial reaction and IMC growth occurring at the joining interface. PMID:26856638

  5. Effects of post-reflow cooling rate and thermal aging on growth behavior of interfacial intermetallic compound between SAC305 solder and Cu substrate

    NASA Astrophysics Data System (ADS)

    Hu, Xiaowu; Xu, Tao; Jiang, Xiongxin; Li, Yulong; Liu, Yi; Min, Zhixian

    2016-04-01

    The interfacial reactions between Cu and Sn3Ag0.5Cu (SAC305) solder reflowed under various cooling rates were investigated. It is found that the cooling rate is an important parameter in solder reflow process because it influences not only microstructure of solder alloy but also the morphology and growth of intermetallic compounds (IMCs) formed between solder and Cu substrate. The experimental results indicate that only scallop-like Cu6Sn5 IMC layer is observed between solder and Cu substrate in case of water cooling and air cooling, while bilayer composed of scallop-like Cu6Sn5 and thin layer-like Cu3Sn is detected under furnace cooling due to sufficient reaction time to form Cu3Sn between Cu6Sn5 IMC and Cu substrate which resulted from slow cooling rate. Samples with different reflow cooling rates were further thermal-aged at 423 K. And it is found that the thickness of IMC increases linearly with square root of aging time. The growth constants of interfacial IMC layer during aging were obtained and compared for different cooling rates, indicating that the IMC layer thickness increased faster in samples under low cooling rate than in the high cooling rate under the same aging condition. The long prismatic grains were formed on the existing interfacial Cu6Sn5 grains to extrude deeply into solder matrix with lower cooling rate and long-term aging, and the Cu6Sn5 grains coarsened linearly with cubic root of aging time.

  6. Growth kinetics of Cu6Sn5 intermetallic compound at liquid-solid interfaces in Cu/Sn/Cu interconnects under temperature gradient

    NASA Astrophysics Data System (ADS)

    Zhao, N.; Zhong, Y.; Huang, M. L.; Ma, H. T.; Dong, W.

    2015-08-01

    The growth behavior of intermetallic compounds (IMCs) at the liquid-solid interfaces in Cu/Sn/Cu interconnects during reflow at 250 °C and 280 °C on a hot plate was investigated. Being different from the symmetrical growth during isothermal aging, the interfacial IMCs showed clearly asymmetrical growth during reflow, i.e., the growth of Cu6Sn5 IMC at the cold end was significantly enhanced while that of Cu3Sn IMC was hindered especially at the hot end. It was found that the temperature gradient had caused the mass migration of Cu atoms from the hot end toward the cold end, resulting in sufficient Cu atomic flux for interfacial reaction at the cold end while inadequate Cu atomic flux at the hot end. The growth mechanism was considered as reaction/thermomigration-controlled at the cold end and grain boundary diffusion/thermomigration-controlled at the hot end. A growth model was established to explain the growth kinetics of the Cu6Sn5 IMC at both cold and hot ends. The molar heat of transport of Cu atoms in molten Sn was calculated as + 11.12 kJ/mol at 250 °C and + 14.65 kJ/mol at 280 °C. The corresponding driving force of thermomigration in molten Sn was estimated as 4.82 × 10-19 N and 6.80 × 10-19 N.

  7. The effect of intermetallic compound morphology on Cu diffusion in Sn-Ag and Sn-Pb solder bump on the Ni/Cu Under-bump metallization

    NASA Astrophysics Data System (ADS)

    Jang, Guh-Yaw; Duh, Jenq-Gong

    2005-01-01

    The eutectic Sn-Ag solder alloy is one of the candidates for the Pb-free solder, and Sn-Pb solder alloys are still widely used in today’s electronic packages. In this tudy, the interfacial reaction in the eutectic Sn-Ag and Sn-Pb solder joints was investigated with an assembly of a solder/Ni/Cu/Ti/Si3N4/Si multilayer structures. In the Sn-3.5Ag solder joints reflowed at 260°C, only the (Ni1-x,Cux)3Sn4 intermetallic compound (IMC) formed at the solder/Ni interface. For the Sn-37Pb solder reflowed at 225°C for one to ten cycles, only the (Ni1-x,Cux)3Sn4 IMC formed between the solder and the Ni/Cu under-bump metallization (UBM). Nevertheless, the (Cu1-y,Niy)6Sn5 IMC was observed in joints reflowed at 245°C after five cycles and at 265°C after three cycles. With the aid of microstructure evolution, quantitative analysis, and elemental distribution between the solder and Ni/Cu UBM, it was revealed that Cu content in the solder near the solder/IMC interface played an important role in the formation of the (Cu1-y,Niy)6Sn5 IMC. In addition, the diffusion behavior of Cu in eutectic Sn-Ag and Sn-Pb solders with the Ni/Cu UBM were probed and discussed. The atomic flux of Cu diffused through Ni was evaluated by detailed quantitative analysis in an electron probe microanalyzer (EPMA). During reflow, the atomic flux of Cu was on the order of 1016-1017 atoms/cm2sec in both the eutectic Sn-Ag and Sn-Pb systems.

  8. Effect of Cross-Interaction between Ni and Cu on Growth Kinetics of Intermetallic Compounds in Ni/Sn/Cu Diffusion Couples during Aging

    NASA Astrophysics Data System (ADS)

    Hong, K. K.; Ryu, J. B.; Park, C. Y.; Huh, J. Y.

    2008-01-01

    The solid-state, cross-interaction between the Ni layer on the component side and the Cu pad on the printed circuit board (PCB) side in ball grid array (BGA) solder joints was investigated by employing Ni(15 μm)/Sn(65 μm)/Cu ternary diffusion couples. The ternary diffusion couples were prepared by sequentially electroplating Sn and Ni on a Cu foil and were aged isothermally at 150, 180, and 200°C. The growth of the intermetallic compound (IMC) layer on the Ni side was coupled with that on the Cu side by the mass flux across the Sn layer that was caused by the difference in the Ni content between the (Cu1- x Ni x )6Sn5 layer on the Ni side and the (Cu1- y Ni y )6Sn5 layer on the Cu side. As the consequence of the coupling, the growth rate of the (Cu1- x Ni x )6 Sn5 layer on the Ni side was rapidly accelerated by decreasing Sn layer thickness and increasing aging temperature. Owing to the cross-interaction with the top Ni layer, the growth rate of the (Cu1- y Ni y )6Sn5 layer on the Cu side was accelerated at 150°C and 180°C but was retarded at 200°C, while the growth rate of the Cu3Sn layer was always retarded. The growth kinetic model proposed in an attempt to interpret the experimental results was able to reproduce qualitatively all of the important experimental observations pertaining to the growth of the IMC layers in the Ni/Sn/Cu diffusion couple.

  9. Reaction synthesis of intermetallics

    SciTech Connect

    Deevi, S.C.; Sikka, V.K.

    1994-12-31

    Exothermicity associated with the synthesis of aluminides was utilized to obtain nickel, iron, and cobalt aluminides. Combustion synthesis, extrusion, and hot pressing were utilized to obtain intermetallics and their composites. Extrusion conditions, reduction ratios, and hot-pressing conditions of the intermetallics and their composites are discussed.

  10. FORMATION OF INTERMETALLIC COMPOUND DISPERSIONS

    DOEpatents

    Bryner, J.S.

    1959-12-01

    BS>A method is presented for preparing dispersions containing thorium bismuthide in equiaxed form and having an average particle size of about 30 microns. Thorium particles having one dimension not greater than 0.015 in. are immersed in liquid bismuth at a temperature between 500 and 600 deg C, the quantity of thorium being in excess of its solubility in the bismuth.

  11. Magnetoresistance in magnetic and nonmagnetic rare earth compounds

    NASA Astrophysics Data System (ADS)

    Gratz, E.; Maikis, M.; Bauer, E.; Nowotny, H.

    1995-02-01

    The temperature dependence of the magnetoresistance Δρ/ ρ of selected magnetic and nonmagnetic RE compounds in fields up to 10 T has been measured. The discussion of the positive magnetoresistance is based on Kohler's rule. It was found that deviations from Kohler's rule at low temperatures depend on the magnitude of the individual residual resistivity. Ferromagnetic compounds exhibit negative values and a minimum in the vicinity of the Curie temperature in accordance to a model calculation of Yamada and Takada. The positive Δρ/ ρ contribution in the low temperature region, observed in all magnetic compounds, is due to the dominating classical magnetoresistance in this temperature range.

  12. Chemistry and Properties of Complex Intermetallics from Metallic Fluxes

    SciTech Connect

    Kanatzidis, Mercouri G.

    2015-03-28

    This project investigated the reaction chemistry and synthesis of new intermetallic materials with complex compositions and structures using metallic fluxes as solvents. It was found that the metallic fluxes offer several key advantages in facilitating the formation and crystal growth of new materials. The fluxes mostly explored were liquid aluminum, gallium and indium. The main purpose of this project was to exploit the potential of metallic fluxes as high temperature solvent for materials discovery in the broad class of intermetallics. This work opened new paths to compound formation. We discovered many new Si (or Ge)-based compounds with novel structures, bonding and physicochemical properties. We created new insights about the reaction chemistry that is responsible for stabilizing the new materials. We also studied the structural and compositional relationships to understand their properties. We investigated the use of Group-13 metals Al, Ga and In as solvents and have generated a wide variety of new results including several new ternary and quaternary materials with fascinating structures and properties as well as new insights as to how these systems are stabilized in the fluxes. The project focused on reactions of metals from the rare earth element family in combination with transition metals with Si and Ge. For example molten gallium has serves both as a reactive and non-reactive solvent in the preparation and crystallization of intermetallics in the system RE/M/Ga/Ge(Si). Molten indium behaves similarly in that it too is an excellent reaction medium, but it gives compounds that are different from those obtained from gallium. Some of the new phase identified in the aluminide class are complex phases and may be present in many advanced Al-matrix alloys. Such phases play a key role in determining (either beneficially or detrimentally) the mechanical properties of advanced Al-matrix alloys. This project enhanced our basic knowledge of the solid state chemistry

  13. SEPARATION OF TRANSURANIC ELEMENTS FROM RARE EARTH COMPOUNDS

    DOEpatents

    Kohman, T.P.

    1961-11-21

    A process of separating neptunium and plutonium values from rare earths and alkaline earth fission products present on a solid mixed actinide carrier (Th or U(IV) oxalate or fluoride) --fission product carrier (LaF/sub 3/, CeF/sub 3/, SrF/sub 2/, CaF/sub 2/, YF/sub 3/, La oxalate, cerous oxalate, Sr oxalate, Ca oxalate or Y oxalate) by extraction of the actinides at elevated temperature with a solution of ammonium fluoride and/or ammonium oxalate is described. Separation of the fission-product-containing carriers from the actinide solution formed and precipitation of the neptunium and plutonium from the solution with mineral acid are also accomplished. (AEC)

  14. The effect of pH on the corrosion behavior of intermetallic compounds Ni{sub 3}(Si,Ti) and Ni{sub 3}(Si,Ti) + 2Mo in sodium chloride solutions

    SciTech Connect

    Priyotomo, Gadang Nuraini, Lutviasari; Kaneno, Yasuyuki

    2015-12-29

    The corrosion behavior of the intermetallic compounds, Ni{sub 3}(Si,Ti) (L1{sub 2}: single phase) and Ni{sub 3}(Si,Ti) + 2Mo (L1{sub 2} and (L12 + Ni{sub ss}) mixture region), has been investigated using an immersion test, electrochemical method and surface analytical method (SEM; scanning electron microscope and EDAX: Energy Dispersive X-ray) in 0.5 kmol/m{sup 3} NaCl solutions at various pH. The corrosion behavior of nickel alloy C-276 was studied under the same experimental conditions as a reference. It was found that the uniform attack was observed on Ni{sub 3}(Si,Ti) for the immersion test at lower pH, while the pitting attack was observed on this compound for this test at neutral solution. Furthermore, Ni{sub 3}(Si,Ti)+2Mo had the preferential dissolution of L1{sub 2} compared to (L1{sub 2} + Ni{sub ss}) mixture region at lower pH, while pitting attack occurred in (L1{sub 2} + Ni{sub ss}) mixture region at neutral solution. For both intermetallic compounds, the magnitude of pitting and uniform attack decrease with increasing pH of solutions. From the immersion test and polarization curves, the corrosion resistance of Ni{sub 3}(Si,Ti)+2Mo is lower than that of Ni{sub 3}(Si,Ti), while the nickel alloy C-276 is the highest one at various pH of solutions. On the other hand, in the lower pH of solutions, the corrosion resistance of tested materials decreased significantly compared to those in neutral and higher pH of solutions.

  15. The effect of pH on the corrosion behavior of intermetallic compounds Ni3(Si,Ti) and Ni3(Si,Ti) + 2Mo in sodium chloride solutions

    NASA Astrophysics Data System (ADS)

    Priyotomo, Gadang; Nuraini, Lutviasari; Kaneno, Yasuyuki

    2015-12-01

    The corrosion behavior of the intermetallic compounds, Ni3(Si,Ti) (L12: single phase) and Ni3(Si,Ti) + 2Mo (L12 and (L12 + Niss) mixture region), has been investigated using an immersion test, electrochemical method and surface analytical method (SEM; scanning electron microscope and EDAX: Energy Dispersive X-ray) in 0.5 kmol/m3 NaCl solutions at various pH. The corrosion behavior of nickel alloy C-276 was studied under the same experimental conditions as a reference. It was found that the uniform attack was observed on Ni3(Si,Ti) for the immersion test at lower pH, while the pitting attack was observed on this compound for this test at neutral solution. Furthermore, Ni3(Si,Ti)+2Mo had the preferential dissolution of L12 compared to (L12 + Niss) mixture region at lower pH, while pitting attack occurred in (L12 + Niss) mixture region at neutral solution. For both intermetallic compounds, the magnitude of pitting and uniform attack decrease with increasing pH of solutions. From the immersion test and polarization curves, the corrosion resistance of Ni3(Si,Ti)+2Mo is lower than that of Ni3(Si,Ti), while the nickel alloy C-276 is the highest one at various pH of solutions. On the other hand, in the lower pH of solutions, the corrosion resistance of tested materials decreased significantly compared to those in neutral and higher pH of solutions.

  16. Anti-mackay polyicosahedral clusters in La-Ni-Mg ternary compounds: synthesis and crystal structure of the La(43)Ni(17)Mg(5) new intermetallic phase.

    PubMed

    Solokha, Pavlo; De Negri, Serena; Pavlyuk, Volodymyr; Saccone, Adriana

    2009-12-21

    The crystal structure of the complex La(43)Ni(17)Mg(5) ternary phase was solved and refined from X-ray single crystal diffraction data. It is characterized by a very large unit cell and represents a new structure type: La(43)Ni(17)Mg(5) - orthorhombic, Cmcm, oS260, a = 10.1895(3), b = 17.6044(14), c = 42.170(3) A, Z = 4, wR1 = 0.0598, wR2 = 0.0897, 4157 F(2) values, 176 variables. The crystal structures of the La-rich La-Ni-Mg intermetallic phases La(4)NiMg, La(23)Ni(7)Mg(4), and La(43)Ni(17)Mg(5) have been comparatively analyzed. The constitutive fragments of these structures are binary polyicosahedral core-shell clusters of Mg(4)La(22) and Mg(5)La(24) compositions together with binary polytetrahedral clusters of nickel and lanthanum atoms. The structures of the Mg-La clusters are described in detail as a unique feature of the analyzed intermetallic phases; the dodecahedral Voronoi polyhedra are proposed as a useful tool to characterize polyicosahedral clusters. The arrangements of the building units in the studied phases show some regularities; particularly the i(4)3, i(5)3 and L-i(4) units, made up of polyicosahedral clusters and analogous to the Kreiner i(3) and L units, are proposed as structural blocks.

  17. Magnesium silicide intermetallic alloys

    NASA Astrophysics Data System (ADS)

    Li, Gh.; Gill, H. S.; Varin, R. A.

    1993-11-01

    Methods of induction melting an ultra-low-density magnesium silicide (Mg2Si) intermetallic and its alloys and the resulting microstructure and microhardness were studied. The highest quality ingots of Mg2Si alloys were obtained by triple melting in a graphite crucible coated with boron nitride to eliminate reactivity, under overpressure of high-purity argon (1.3 X 105 Pa), at a temperature close to but not exceeding 1105 °C ± 5 °C to avoid excessive evaporation of Mg. After establishing the proper induction-melting conditions, the Mg-Si binary alloys and several Mg2Si alloys macroalloyed with 1 at. pct of Al, Ni, Co, Cu, Ag, Zn, Mn, Cr, and Fe were induction melted and, after solidification, investigated by optical microscopy and quantitative X-ray energy dispersive spectroscopy (EDS). Both the Mg-rich and Si-rich eutectic in the binary alloys exhibited a small but systematic increase in the Si content as the overall composition of the binary alloy moved closer toward the Mg2Si line compound. The Vickers microhardness (VHN) of the as-solidified Mg-rich and Si-rich eutectics in the Mg-Si binary alloys decreased with increasing Mg (decreasing Si) content in the eutectic. This behavior persisted even after annealing for 75 hours at 0.89 pct of the respective eutectic temperature. The Mg-rich eutectic in the Mg2Si + Al, Ni, Co, Cu, Ag, and Zn alloys contained sections exhibiting a different optical contrast and chemical composition than the rest of the eutectic. Some particles dispersed in the Mg2Si matrix were found in the Mg2Si + Cr, Mn, and Fe alloys. The EDS results are presented and discussed and compared with the VHN data.

  18. The composition of the primitive atmosphere and the synthesis of organic compounds on the early Earth

    NASA Technical Reports Server (NTRS)

    Bada, J. L.; Miller, S. L.

    1985-01-01

    The generally accepted theory for the origin of life on the Earth requires that a large variety of organic compounds be present to form the first living organisms and to provide the energy sources for primitive life either directly or through various fermentation reactions. This can provide a strong constraint on discussions of the formation of the Earth and on the composition of the primitive atmosphere. In order for substantial amounts of organic compounds to have been present on the prebiological Earth, certain conditions must have existed. There is a large body of literature on the prebiotic synthesis of organic compounds in various postulated atmospheres. In this mixture of abiotically synthesized organic compounds, the amino acids are of special interest since they are utilized by modern organisms to synthesize structural materials and a large array of catalytic peptides.

  19. Slurry and Plasma-spray Coating of Selective Emitting Rare-earth Oxides on High Temperature Resistant Substrates

    NASA Astrophysics Data System (ADS)

    Tobler, W. J.; Durisch, W.

    2007-02-01

    Selective emitting coatings of the rare-earth oxides Yb2O3 and Yb-doped garnet have been applied on SiC by slurry coating and on the high refractory intermetallic compound MoSi2 by vacuum plasma-spraying. The TPV emitters produced are fully operable in oxygen atmosphere at high temperatures > 1500 °C. The novel technique of pairing MoSi2 substrate with plasma-sprayed rare-earth oxide results in highly thermal shock stable emitters due to an ideal match of the thermal expansion coefficients of intermetallic compound and ceramics.

  20. Thermal barrier coating system with intermetallic overlay bond coat

    SciTech Connect

    Duderstadt, E.C.; Nagaraj, B A.

    1993-08-24

    A superalloy article is described having a thermal barrier coating system thereon, comprising: a substrate made of a material selected from the group consisting of a nickel-based superalloy and a cobalt-based superalloy; and a thermal barrier coating system on the substrate, the thermal barrier coating system including an intermetallic bond coat overlying the substrate, the bond coat being selected from the group consisting of a nickel aluminide and a platinum aluminide intermetallic compound, a thermally grown aluminum oxide layer overlying the intermetallic bond coat, and a ceramic topcoat overlying the aluminum oxide layer.

  1. A magnetization study of RCo 12B 6 intermetallics

    NASA Astrophysics Data System (ADS)

    Mittag, M.; Rosenberg, M.; Buschow, K. H. J.

    1989-11-01

    The magnetic properties of polycrystalline intermetallics RCo 12B 6 with R = Y, La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er and Tm have been studied in the temperature range 3-300 K and in fields up to 2 T. All compounds order magnetically between Tc=134.3 K for CeCo 12B 6 and Tc=162 K for GdCo 12B 6. YCo 12B 6 has an average Co moment of 0.42μ B. Since the Co moment is constant for all samples the R moments can be easily obtained and they are in good agreement with free R 3+ ion values. Ce is quadripositive in CeCo 12B 6 and therefore nonmagnetic. All light rare-earth compounds are ferromagnetic, while all heavy rare-earth compounds are ferrimagnetic with compensation points between Tcomp=11.6 K ( TmCo12B6) and Tcomp=82.8 K ( TbCo12B6). In the paramagnetic state an effective magnetic moment of 1.94μ B per Co atom has been found. The mean-field approximation yields a 3d-3d exchange integral of {J CoCo}/{k B}=110 K . The 3d-4f exchange integral is much smaller and equal to about {J RCo}/{k B}=6 K .

  2. Carbonaceous meteorites as a source of sugar-related organic compounds for the early Earth

    NASA Technical Reports Server (NTRS)

    Cooper, G.; Kimmich, N.; Belisle, W.; Sarinana, J.; Brabham, K.; Garrel, L.

    2001-01-01

    The much-studied Murchison meteorite is generally used as the standard reference for organic compounds in extraterrestrial material. Amino acids and other organic compounds important in contemporary biochemistry are thought to have been delivered to the early Earth by asteroids and comets, where they may have played a role in the origin of life. Polyhydroxylated compounds (polyols) such as sugars, sugar alcohols and sugar acids are vital to all known lifeforms-they are components of nucleic acids (RNA, DNA), cell membranes and also act as energy sources. But there has hitherto been no conclusive evidence for the existence of polyols in meteorites, leaving a gap in our understanding of the origins of biologically important organic compounds on Earth. Here we report that a variety of polyols are present in, and indigenous to, the Murchison and Murray meteorites in amounts comparable to amino acids. Analyses of water extracts indicate that extraterrestrial processes including photolysis and formaldehyde chemistry could account for the observed compounds. We conclude from this that polyols were present on the early Earth and therefore at least available for incorporation into the first forms of life.

  3. Carbonaceous meteorites as a source of sugar-related organic compounds for the early Earth.

    PubMed

    Cooper, G; Kimmich, N; Belisle, W; Sarinana, J; Brabham, K; Garrel, L

    The much-studied Murchison meteorite is generally used as the standard reference for organic compounds in extraterrestrial material. Amino acids and other organic compounds important in contemporary biochemistry are thought to have been delivered to the early Earth by asteroids and comets, where they may have played a role in the origin of life. Polyhydroxylated compounds (polyols) such as sugars, sugar alcohols and sugar acids are vital to all known lifeforms-they are components of nucleic acids (RNA, DNA), cell membranes and also act as energy sources. But there has hitherto been no conclusive evidence for the existence of polyols in meteorites, leaving a gap in our understanding of the origins of biologically important organic compounds on Earth. Here we report that a variety of polyols are present in, and indigenous to, the Murchison and Murray meteorites in amounts comparable to amino acids. Analyses of water extracts indicate that extraterrestrial processes including photolysis and formaldehyde chemistry could account for the observed compounds. We conclude from this that polyols were present on the early Earth and therefore at least available for incorporation into the first forms of life.

  4. High-temperature structural intermetallics

    SciTech Connect

    Yamaguchi, M.; Inui, H.; Ito, K.

    2000-01-01

    In the last one and a half decades, a great deal of fundamental and developmental research has been made on high-temperature structural intermetallics aiming at the implementation of these intermetallics in aerospace, automotive and land-based applications. These intermetallics include aluminides formed with either titanium, nickel or iron and silicides formed with transition metals. Of these high-temperature intermetallics, TiAl-based alloys with great potential in both aerospace and automotive applications have been attracting particular attention. Recently TiAl turbocharger wheels have finally started being used for turbochargers for commercial passenger cars of a special type. The current status of the research and development of these high-temperature intermetallics is summarized and a perspective on what directions future research and development of high-temperature intermetallics should take is provided.

  5. Local magnetic moment formation at 119Sn Mössbauer impurity in RFe2 ( R=rare-earth metals) Laves phases compounds

    NASA Astrophysics Data System (ADS)

    de Oliveira, A. L.; de Oliveira, N. A.; Troper, A.

    2010-05-01

    The purpose of the present work is to theoretically study the local magnetic moment formation and the systematics of the magnetic hyperfine fields at a non-magnetic s-p Mössbauer 119Sn impurity diluted on R sites ( R=rare-earth metals) of the cubic Laves phases intermetallic compounds RFe2. One considers that the magnetic hyperfine field has two contributions (i) the contribution from R ions, calculated via an extended Daniel-Friedel [J. Phys. Chem. Solids 24 (1963) 1601] model and (ii) the contribution from the induced magnetic moments arising from the Fe neighboring sites. We have in this case a two-center Blandin-Campbell-like [Phys. Rev. Lett. 31 (1973) 51; J. Magn. Magn. Mater. 1 (1975) 1] problem, where a magnetic 3d-element located at a distance from the 119Sn impurity gives an extra magnetization to a polarized electron gas which is strongly charge perturbed at the 119Sn impurity site. We also include in the model, the nearest-neighbor perturbation due to the translational invariance breaking introduced by the impurity. Our self-consistent total magnetic hyperfine field calculations are in a very good agreement with recent experimental data.

  6. Intersublattice exchange coupling in rare earth-iron-based R-Fe-LT intermetallics (LT=light transition elements Ti, V)

    NASA Astrophysics Data System (ADS)

    Duc, N. H.; Tan, N. D.; Cong, B. T.; Givord, D.

    2002-07-01

    The values of the d-sublattice magnetic moment ( Md) and the Gd-Fe exchange coupling parameter ( AGdFe) were derived for the R(Fe 1- xTi x) 2, R(Fe 1- xTi x) 3 and RFe 12- xV x (R=Gd, Lu and Y) compounds. As the Ti(V) concentration increases, a tendency of Md to decrease is found, whereas AGdFe is enhanced. These behaviours are discussed in terms of the similar role of the 3d(Fe)-5d(R) and 3d(Fe)-3d(Ti,V) hybridizations on the negative polarization of both the 5d(R) and 3d(Ti,V) electrons. The arguments are reinforced by the analysis of the magnetic valence and a linear relationship between AGdFe and Md is presented.

  7. Comets and the formation of biochemical compounds on the primitive Earth--a review.

    PubMed

    Oró, J; Mills, T; Lazcano, A

    1992-01-01

    Thirty years ago it was suggested that comets impacting on the primitive Earth may have represented a significant source of terrestrial volatiles, including some important precursors for prebiotic synthesis (Oró, 1961, Nature 190: 389). This possibility is strongly supported not only by models of the collisional history of the early Earth, but also by astronomical evidence that suggests that frequent collisions of comet-like bodies from the circumstellar disk around the star beta Pictoris are taking place. Although a significant fraction of the complex organic compounds that appear to be present in cometary nuclei were probably destroyed during impact, it is argued that cometary collisions with the primitive Earth represented an important source of both free-energy and volatiles, and may have created transient, gaseous environments in which prebiotic synthesis may have taken place.

  8. Method for preparing high cure temperature rare earth iron compound magnetic material

    DOEpatents

    Huang, Yuhong; Wei, Qiang; Zheng, Haixing

    2002-01-01

    Insertion of light elements such as H,C, or N in the R.sub.2 Fe.sub.17 (R=rare earth metal) series has been found to modify the magnetic properties of these compounds, which thus become prospective candidates for high performance permanent magnets. The most spectacular changes are increases of the Curie temperature, T.sub.c, of the magnetization, M.sub.s, and of coercivity, H.sub.c, upon interstitial insertion. A preliminary product having a component R--Fe--C,N phase is produced by a chemical route. Rare earth metal and iron amides are synthesized followed by pyrolysis and sintering in an inert or reduced atmosphere, as a result of which, the R--Fe--C,N phases are formed. Fabrication of sintered rare earth iron nitride and carbonitride bulk magnet is impossible via conventional process due to the limitation of nitridation method.

  9. Recent advances in ordered intermetallics

    SciTech Connect

    Liu, C.T.

    1992-12-31

    This paper briefly summarizes recent advances in intermetallic research and development. Ordered intermetallics based on aluminides and silicides possess attractive properties for structural applications at elevated temperatures in hostile environments; however, brittle fracture and poor fracture resistance limit their use as engineering materials in many cases. In recent years, considerable efforts have been devoted to the study of the brittle fracture behavior of intermetallic alloys; as a result, both intrinsic and extrinsic factors governing brittle fracture have been identified. Recent advances in first-principles calculations and atomistic simulations further help us in understanding atomic bonding, dislocation configuration, and alloying effects in intermetallics. The basic understanding has led to the development of nickel, iron, and titanium aluminide alloys with improved mechanical and metallurgical properties for structural use. Industrial interest in ductile intermetallic alloys is high, and several examples of industrial involvement are mentioned.

  10. Recent advances in ordered intermetallics

    SciTech Connect

    Liu, C.T.

    1994-12-31

    Ordered intermetallic alloys based on aluminides and silicides offer many advantages for structural use at high temperatures in hostile environments. Attractive properties include excellent oxidation and corrosion resistance, light weight, and superior strength at high temperatures. The major concern for structural use of intermetallics was their low ductility and poor fracture resistance at ambient temperatures. For the past 10 years, considerable effort was devoted to R&D of ordered intermetallic alloys, and progress has been made on understanding intrinsic and extrinsic factors controlling brittle fracture in intermetallic alloys based on aluminides and silicides. Parallel effort on alloy design has led to the development of a number of ductile and strong intermetallic alloys based on Ni{sub 3}Al, NiAl, Fe{sub 3}Al, FeAl, Ti{sub 3}Al, and TiAl systems for structural applications.

  11. Synthesis of melt-spun rare-earth transition-metal intermetallics with Nd{sub 3}(Fe,Ti){sub 29} structure (abstract)

    SciTech Connect

    Gjoka, M.; Kalogirou, O.; Psycharis, V.; Niarchos, D.; Leccabue, F.; Watts, B.E.

    1997-04-01

    Single phase ingots of Nd{sub 3}Fe{sub 27.5}Ti{sub 1.5} were prepared by argon arc melting followed by annealing at 1373 K for 72 h in evacuated sealed quartz tubes and water quenching. Pieces of the ingots were then made into ribbons using the spin-melting technique in argon atmosphere with velocities between 20{endash}40 m/s. The ribbon samples were annealed over a range of temperatures 723{endash}1323 K for times in the range 15{endash}50 min. The as-spun ribbons were found to be amorphous and presented a composition close to the nominal one. After annealing, the samples were crystallized and presented the Nd{sub 3}(Fe,Ti){sub 29}-type structure. From the relative intensities of the diffraction peaks it was concluded that the annealed samples presented texture. This was confirmed from the x-ray diffraction patterns of annealed ribbons after powdering which were similar to those of the bulk samples. The lattice parameters are: a=10.63(4) {Angstrom}, b=8.57(4) {Angstrom}, c=9.729(5) {Angstrom} and {beta}=97.01(2){degree}. Rietveld analysis on the annealed ribbons gave a composition of 60{percent} Nd{sub 3}(Fe,Ti){sub 29}, 21{percent} Nd(Fe,Ti){sub 12}, and 19{percent} {alpha}-Fe. Thermomagnetic analysis curves of the as-spun ribbons showed a broad transition between 373{endash}433 K and a secondary one at about 553 K indicating the presence of a 1:12 impurity. After annealing, the samples presented a Curie temperature typical for the Nd{sub 3}(Fe,T){sub 29} compound, 437 K and two secondary magnetic transitions characteristic for the 1:12 and {alpha}-Fe phases, respectively. The room temperature saturation magnetization, M{sub s}, was 145.0 and 138.7 emu/g before and after annealing, respectively. Scanning electron microscopy photographs of the annealed ribbons showed a grain size {lt}1 {mu}m and the microanalysis of the grains gave a mean stoichiometry Nd{sub 3}Fe{sub 24}Ti{sub 5} for the 3:29 phase. The coercivity of the annealed samples was 1 kOe at room

  12. CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY: Structural Feature and Solute Trapping of Rapidly Grown Ni3Sn Intermetallic Compound

    NASA Astrophysics Data System (ADS)

    Qin, Hai-Yan; Wang, Wei-Li; Wei, Bing-Bo

    2009-11-01

    The rapid dendritic growth of primary Ni3Sn phase in undercooled Ni-30.9%Sn-5%Ge alloy is investigated by using the glass fluxing technique. The dendritic growth velocity of Ni3Sn compound is measured as a function of undercooling, and a velocity of 2.47 m/s is achieved at the maximum undercooling of 251 K (0.17TL). The addition of the Ge element reduces its growth velocity as compared with the binary Ni75Sn25 alloy. During rapid solidification, the Ni3Sn compound behaves like a normal solid solution and it displays a morphological transition of “coarse dendrite-equiaxed grain-vermicular structure" with the increase of undercooling. Significant solute trapping of Ge atoms occurs in the whole undercooling range.

  13. Origin of organic compounds on the primitive earth and in meteorites

    NASA Technical Reports Server (NTRS)

    Miller, S. L.; Urey, H. C.; Oro, J.

    1976-01-01

    The paper examines the role and relative contributions of different forms of energy to the synthesis of amino acids and other organic compounds on the primitive earth and in the solar nebula. Attention is directed mainly to the activation steps and formation of reactive intermediate compounds. Electric discharges appear to be not only the most efficient energy for amino acid synthesis but also yield a mixture of amino acids that is qualitatively and quantitatively the same as that found in the Murchison carbonaceous chondrite. Ultraviolet light is likely to have played a major role in prebiotic synthesis. The reaction of CO plus H2 plus NH3 on the surface of a Fischer-Tropsch catalyst produces reactive intermediates which lead to amino acids and other organic compounds in a much less efficient way than electric discharges.

  14. High temperature rare earth compounds: Synthesis, characterization and applications in device fabrication

    NASA Astrophysics Data System (ADS)

    Brewer, Joseph Reese

    As the area of nanotechnology continues to grow, the development of new nanomaterials with interesting physical and electronic properties and improved characterization techniques are several areas of research that will be remain vital for continued improvement of devices and the understanding in nanoscale phenomenon. In this dissertation, the chemical vapor deposition synthesis of rare earth (RE) compounds is described in detail. In general, the procedure involves the vaporization of a REClx (RE = Y, La, Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho) in the presence of hydride phase precursors such as decaborane and ammonia at high temperatures and low pressures. Unlike traditional single source precursor techniques such as metal-organic chemical vapor deposition, the materials produced are of extremely high chemical purity. The crystallographic orientation of as-synthesized rare earth hexaboride nanostructures and gadolinium nitride thin films was controlled by judicious choice of specific growth substrates and modeled by analyzing x-ray diffraction powder patterns and crystallographic models. The vapor-liquid-solid mechanism was used in combination with the chemical vapor deposition process to synthesize single crystalline rare earth hexaboride nanostructures. Unlike previously reported synthetic techniques to generate rare earth hexaborides, my synthesis provided control over the tip diameter of the nanomaterials, was applicable to all available rare earth metals and utilized a chemical scheme that was much less toxic. Furthermore, the synthesis provided the first ever doped rare earth hexaboride nanowires. The as produced materials showed excellent electronic properties and could be applicable to many different types of electronic applications. The rare earth hexaboride nanostructures were then implemented into two existing technologies to enhance their characterization capabilities. First, the rare earth hexaboride nanowires were used as a test material for the development

  15. Synchrotron Diffraction Studies of Spontaneous Magnetostriction in Rare Earth Transition Metal Compounds

    SciTech Connect

    Ning Yang

    2004-12-19

    Thermal expansion anomalies of R{sub 2}Fe{sub 14}B and R{sub 2}Fe{sub 17}C{sub x} (x = 0,2) (R = Y, Nd, Gd, Tb, Er) stoichiometric compounds are studied with high-energy synchrotron X-ray powder diffraction using Debye-Schemer geometry in temperature range 10K to 1000K. Large spontaneous magnetostriction up to their Curie temperatures (T{sub c}) is observed. The a-axes show relatively larger invar effects than c-axes in the R{sub 2}Fe{sub 14}B compounds whereas the R{sub 2}Fe{sub 17}C{sub x} show the contrary anisotropies. The iron sub-lattice is shown to dominate the spontaneous magnetostriction of the compounds. The contribution of the rare earth sublattice is roughly proportional to the spin magnetic moment of the rare earth in the R{sub 2}Fe{sub 14}B compounds but in R{sub 2}Fe{sub 17}C{sub x}, the rare earth sub-lattice contribution appears more likely to be dominated by the local bonding. The calculation of spontaneous magnetostrain of bonds shows that the bonds associated with Fe(j2) sites in R{sub 2}Fe{sub 14}B and the dumbbell sites in R{sub 2}Fe{sub 17}C{sub x} have larger values, which is strongly related to their largest magnetic moment and Wigner-Seitz atomic cell volume. The roles of the carbon atoms in increasing the Curie temperatures of the R{sub 2}Fe{sub 17} compounds are attributed to the increased separation of Fe hexagons. The R{sub 2}Fe{sub 17} and R{sub 2}Fe{sub 14}B phases with magnetic rare earth ions also show anisotropies of thermal expansion above T{sub c}. For R{sub 2}Fe{sub 17} and R{sub 2}Fe{sub 14}B the a{sub a}/a{sub c} > 1 whereas the anisotropy is reversed with the interstitial carbon in R{sub 2}Fe{sub 17}. The average bond magnetostrain is shown to be a possible predictor of the magnetic moment of Fe sites in the compounds. Both of the theoretical and phenomenological models on spontaneous magnetostriction are discussed and a Landau model on the spontaneous magnetostriction is proposed.

  16. Magnetic properties of the intermetallic compounds MM prime X(M=Cr,Mn, M prime =Ru,Rh,Pd, and X=P,As)

    SciTech Connect

    Kanomata, T.; Kawashima, T.; Utsugi, H.; Goto, T. ); Hasegawa, H. ); Kaneko, T. )

    1991-04-15

    Magnetization, magnetic susceptibility, and crystal structure are investigated on the ternary chromium arsenides CrM{prime}As (M{prime}=Ru,Rh,Pd) and ternary manganese phosphides and arsenides MnM{prime}P(M{prime}=Rh,Pd) and MnM{prime}As(M{prime}=Ru,Pd). MnRhP, MnRuAs, and MnPdAs are ferromagnets with a Curie temperature of {ital T}{sub {ital c}}=401, 496, and 210 K, respectively. CrRhAs is an antiferromagnet with a Neel temperature of {ital T}{sub {ital N}}=165 K. MnPdP and CrPdAs show spin-glass-like freezing. A magnetic order-order transition is observed for CrRuAs. Susceptibility {chi} versus temperature curves are well expressed by a formula {chi} =C{prime}/({ital T} {minus} {theta}{sup {prime}}{sub {ital P}}){sup {gamma}} for all present compounds. The values of {gamma} are about 3/2 for manganese compounds and CrPdAs, and about 1/2 for CrRuAs and CrRhAs.

  17. Crystal structure and magnetic properties of new Fe3Co3 X 2 (X  =  Ti, Nb) intermetallic compounds

    NASA Astrophysics Data System (ADS)

    Zhang, Jie; Nguyen, Manh Cuong; Balasubramanian, Balamurugan; Das, Bhaskar; Sellmyer, David J.; Zeng, Zhi; Ho, Kai-Ming; Wang, Cai-Zhuang

    2016-05-01

    The structure and magnetic properties of new magnetic Fe3Co3 X 2 (X  =  Ti, Nb) compounds are studied by genetic algorithm, first-principles density functional theory (DFT) calculations, and experiments. The atomic structure of a hexagonal structure with P-6m2 symmetry is determined. The simulated x-ray diffraction (XRD) spectra of the P-6m2 structures agree well with experimental XRD data for both Fe3Co3Ti2 and Fe3Co3Nb2. The magnetic properties of these structures as well as the effect of the disorder of Fe and Co on their magnetic properties are also investigated. The magnetocrystalline anisotropy energy is found to be very sensitive to the occupancy disorder between Fe and Co.

  18. New icosahedral nanoclusters in crystal structures of intermetallic compounds: Topological types of 50-atom deltahedra D50 in samson phases β-Mg2Al3 and ɛ-Mg23Al30

    NASA Astrophysics Data System (ADS)

    Blatov, V. A.; Ilyushin, G. D.

    2012-12-01

    A database of intermetallic compounds has been compiled using the TOPOS program package. This database includes 514 topological types, containing 12- and 13-atom icosahedral i clusters. An isolated group of 1649 i clusters is described by 14 point groups and their maximum symmetry D 3 d (bar 3 m) and T h ( m bar 3) is established, respectively, in 47 and 25 types of crystal structures. A structural analysis of the outer quasispherical shells showed that local 63-atom i configurations 1@12@50, which contain 50 atoms in the second layer, are implemented in 8 out of 19 cases. Examples of new topologically different types of 50-atom D50 deltahedra in the Samson phases ɛ-Mg23Al30 and β-Mg2Al3 are presented. Four topologically different sites with coordination numbers of 5, 6, 6, or 7 are established in the ɛ shell and seven sites with coordination numbers of 5, 5, 6, 6, 6, 6, or 7 are found in the β shell. The inner i clusters for the β-Mg2Al3 structure (with the symmetry bar 3 m) and the ɛ-Mg23Al30 structure (with the symmetry bar 3) have a similar chemical composition, i.e., Mg7Al6 and Mg6Al7, and their 50-atom shells are chemically identical to 18Mg + 32Al. The configurations found supplement the series of known two-layer icosahedral Bergman and Mackay clusters in the form of deltahedra with 32- and 42-atom shells.

  19. Robust flat bands in R Co5 (R = rare earth) compounds

    NASA Astrophysics Data System (ADS)

    Ochi, Masayuki; Arita, Ryotaro; Matsumoto, Munehisa; Kino, Hiori; Miyake, Takashi

    2015-04-01

    The mechanism to realize the peculiar flat bands generally existing in R Co5 (R = rare earth) compounds is clarified by analyzing the first-principles band structures and the tight-binding model. These flat bands are constructed from the localized eigenstates, the existence of which is guaranteed by the destructive interference of the intersite hopping among the Co -3 d states at the kagome sites and those between the kagome and honeycomb sites. Their relative positions to other bands can be controlled by varying the lattice parameters keeping their dispersion almost flat, which suggests the possibility of flat-band engineering.

  20. Magnetic hyperfine interactions on Cd sites of the rare-earth cadmium compounds R Cd (R =Ce , Pr, Nd, Sm, Gd, Tb, Dy, Ho, and Er)

    NASA Astrophysics Data System (ADS)

    Cavalcante, F. H. M.; Leite Neto, O. F. L. S.; Saitovitch, H.; Cavalcante, J. T. P. D.; Carbonari, A. W.; Saxena, R. N.; Bosch-Santos, B.; Pereira, L. F. D.; Mestnik-Filho, J.; Forker, M.

    2016-08-01

    This paper reports the investigation of the magnetic hyperfine field Bh f in a series of rare-earth (R ) cadmium intermetallic compounds R Cd and GdCd2 measured by perturbed angular correlation (PAC) spectroscopy using 111In/111Cd as probe nuclei at Cd sites as well as first-principles calculations of Bh f at Cd sites in the studied compounds. Vapor-solid state reaction of R metals with Cd vapor and the 111In radioisotope was found to be an appropriate route of doping rare-earth cadmium compounds with the PAC probe 111In/111Cd. The observation that the hyperfine parameters depend on details of the sample preparation provides information on the phase preference of diffusing 111In in the rare-earth cadmium phase system. The 111Cd hyperfine field has been determined in the compounds R Cd for the R constituents Ce, Pr, Nd, Sm, Gd, Tb, Dy, Ho, and Er, in several cases as a function of temperature. For most R constituents, the temperature dependence Bh f(T ) of 111Cd:R Cd is consistent with ferromagnetic order of the compound. DyCd, however, presents a remarkable anomaly: a finite magnetic hyperfine field is observed only in the temperature interval 35 K ≤ T ≤ 80 K which indicates a transition from ferromagnetic order to a spin arrangement where all 4 f -induced contributions to the magnetic hyperfine field at the Cd site cancel. First-principles calculation results for DyCd show that the (π , π , 0) antiferromagnetic configuration is energetically more favorable than the ferromagnetic. The approach used in the calculations to simulate the R Cd system successfully reproduces the experimental values of Bh f at Cd sites and shows that the main contribution to Bh f comes from the valence electron polarization. The de Gennes plot of the hyperfine field Bh f of 111Cd:R Cd vs the 4 f -spin projection (g -1 )J reflects a decrease of the strength of indirect 4 f -4 f exchange across the R series. Possible mechanisms are discussed and the experimental results indicate that

  1. Synthesis, structure, and bonding in K12Au21Sn4. A polar intermetallic compound with dense Au20 and open AuSn4 layers

    SciTech Connect

    Li, Bin; Kim, Sung-Jin; Miller, Gordon J.; and Corbett, John D.

    2009-10-29

    The new phase K{sub 12}Au{sub 21}Sn{sub 4} has been synthesized by direct reaction of the elements at elevated temperatures. Single crystal X-ray diffraction established its orthorhombic structure, space group Pmmn (No. 59), a = 12.162(2); b = 18.058(4); c = 8.657(2) {angstrom}, V = 1901.3(7) {angstrom}{sup 3}, and Z = 2. The structure consists of infinite puckered sheets of vertex-sharing gold tetrahedra (Au{sub 20}) that are tied together by thin layers of alternating four-bonded-Sn and -Au atoms (AuSn{sub 4}). Remarkably, the dense but electron-poorer blocks of Au tetrahedra coexist with more open and saturated Au-Sn layers, which are fragments of a zinc blende type structure that maximize tetrahedral heteroatomic bonding outside of the network of gold tetrahedra. LMTO band structure calculations reveal metallic properties and a pseudogap at 256 valence electrons per formula unit, only three electrons fewer than in the title compound and at a point at which strong Au-Sn bonding is optimized. Additionally, the tight coordination of the Au framework atoms by K plays an important bonding role: each Au tetrahedra has 10 K neighbors and each K atom has 8-12 Au contacts. The appreciably different role of the p element Sn in this structure from that in the triel members in K{sub 3}Au{sub 5}In and Rb{sub 2}Au{sub 3}Tl appears to arise from its higher electron count which leads to better p-bonding (valence electron concentrations = 1.32 versus 1.22).

  2. Intermetallic Layers in Soldered Joints

    1998-12-10

    ILAG solves the one-dimensional partial differential equations describing the multiphase, multicomponent, solid-state diffusion-controlled growth of intermetallic layers in soldered joints. This software provides an analysis capability for materials researchers to examine intermetallic growth mechanisms in a wide variety of defense and commercial applications involving both traditional and advanced materials. ILAG calculates the interface positions of the layers, as well as the spatial distribution of constituent mass fractions, and outputs the results at user-prescribed simulation times.

  3. Quaternary borocarbides: New class of intermetallic superconductors

    NASA Technical Reports Server (NTRS)

    Nagarajan, R.; Gupta, L. C.; Dhar, S. K.; Mazumdar, Chandan; Hossain, Zakir; Godart, C.; Levy-Clement, C.; Padalia, B. D.; Vijayaraghavan, R.

    1995-01-01

    Our recent discovery of superconductivity (SC) in the four-element multiphase Y-Ni-B-C system at an elevated temperature (TC approximately 12 K) has opened up great possibilities of identifying new superconducting materials and generating new physics. Superconductivity with Tc (greater than 20 K) higher than that known so far in bulk intermetallics has been observed in multiphase Y-Pd-B-C and Th-Pd-B-C systems and a family of single phase materials RENi2B2C (RE= Y, rare earth) have been found. Our investigations show YNi2B2C to be a strong coupling hard type-II SC. HC2(T) exhibits an unconventional temperature dependence. Specific heat and magnetization studies reveal coexistence of SC and magnetism in RNi2B2C (R = Ho, Er, Tm) with magnetic ordering temperatures (Tc approximately 8 K, 10.5 K, 11 K and Tm approximately 5 K, approximately 7K, approximately 4 K respectively) that are remarkably higher than those in known magnetic superconductors . Mu-SR studies suggest the possibility of Ni atoms carrying a moment in TmNi2B2C. Resistivity results suggests a double re-entrant transition (SC-normal-SC) in HoNi2B2C. RENi2B2C (RE = Ce, Nd, Gd) do not show SC down to 4.2 K. The Nd- and Gd-compounds order magnetically at approximately 4.5 K and approximately 19.5 K, respectively. Two SC transitions are observed in Y-Pd-B-C (Tc approximately 22 K, approximately 10 K) and in Th-Pd-B-C (Tc approximately 20 K, approximately 14 K) systems, which indicate that there are at least two structures which support SC in these borocarbides. In our multiphase ThNi2B2C we observe SC at approximately 6 K. No SC was seen in multiphase UNi2B2C, UPd2B2C, UOs2Ge2C and UPd5B3C(0.35) down to 4.2 K. Tc in YNi2B2C is depressed by substitutions (Gd, Th and U at Y-sites and Fe, Co at Ni-sites).

  4. High-quality single crystal growth and strongly correlated electronic states in rare earth and actinide compounds

    NASA Astrophysics Data System (ADS)

    Ōnuki, Yoshichika; Honda, Fuminori; Hirose, Yusuke; Settai, Rikio; Takeuchi, Tetsuya

    2016-11-01

    We review the nature of strongly correlated electronic states in rare earth and actinide compounds, focusing on localized versus itinerant electronic states in CeRhIn5, quantum critical phenomena in YbIr2Zn20, residual resistivity in CeCu6, metamagnetism in heavy fermion compounds, and unconventional superconductivity in CeIrSi3 without inversion symmetry in the crystal structure, emphasizing that sample quality is essentially important to clarify the characteristic features for the heavy fermion compounds.

  5. Reactions of intermetallic clusters

    NASA Astrophysics Data System (ADS)

    Farley, R. W.; Castleman, A. W., Jr.

    1990-02-01

    Reaction of bismuth-alkali clusters with closed-shell HX acids provides insight into the structures, formation, and stabilities of these intermetallic species. HC1 and HI are observed to quantitatively strip BixNay and BixKy, respectively, of their alkali component, leaving bare bismuth clusters as the only bismuth-containing species detected. Product bismuth clusters exhibit the same distribution observed when pure bismuth is evaporated in the source. Though evaporated simultaneously from the same crucible, this suggests alkali atoms condense onto existing bismuth clusters and have negligible effect on their formation and consequent distribution. The indistinguishibility of reacted and pure bismuth cluster distributions further argues against the simple replacement of alkali atoms with hydrogen in these reactions. This is considered further evidence that the alkali atoms are external to the stable bismuth Zintl anionic structures. Reactivities of BixNay clusters with HC1 are estimated to lie between 3×10-13 for Bi4Na, to greater than 4×10-11 for clusters possessing large numbers of alkali atoms. Bare bismuth clusters are observed in separate experiments to react significantly more slowly with rates of 1-9×10-14 and exhibit little variation of reactivity with size. The bismuth clusters may thus be considered a relatively inert substrate upon which the alkali overlayer reacts.

  6. Light scattering from crystalline field and intra-ionic excitations in metallic rare earth compounds

    NASA Astrophysics Data System (ADS)

    Güntherodt, G.; Zirngiebl, E.; Blumenröder, S.; Woike, H.

    1985-10-01

    Recent developments in applying inelastic light scattering to investigate localized electronic excitations in rare earth Kondo-type and intermediate valence (IV) compounds are briefly summarized. The Г 8-Г 7 crystalline-electric-field (CEF) excitation of CeB 6 is found near 372 cm -1 (530 K) with a Г 8 ground state dynamically split by 20 cm -1 (30 K). Resonantly coupled phonon-CEF excitations have been investigated in CeAl 2 and CeD x (1.95≦ x≦2.91); a phonon bound state is found in CeAl 2. Intra-configurational spin-orbit split ( J) multiplet excitations have been observed in the IV compounds CePd 3, EuPd 2Si 2 and EuCu 2Si 2. In the latter two compounds the temperature dependence of the inter-configurational excitation energy Ex and of the fluctuation temperature Tf have been obtained from the Roman peak positions and widths, respectively. The spectroscopic data provide the first direct proof of the ionic interconfigurational fluctuation model.

  7. Earth

    NASA Technical Reports Server (NTRS)

    Carr, M. H.

    1984-01-01

    The following aspects of the planet Earth are discussed: plate tectonics, the interior of the planet, the formation of the Earth, and the evolution of the atmosphere and hydrosphere. The Earth's crust, mantle, and core are examined along with the bulk composition of the planet.

  8. UVolution: Compared photochemistry of prebiotic organic compounds in low Earth orbit and in the laboratory

    NASA Astrophysics Data System (ADS)

    Guan, Yuan Yong; Fray, Nicolas; Coll, Patrice; Macari, Frédérique; Chaput, Didier; Raulin, François; Cottin, Hervé

    2010-08-01

    Solar UV radiation is a major source of energy for chemical evolution of organic materials in the Solar System. Therefore studies on the photostability of organic compounds in extraterrestrial environments are of prime importance for the understanding of the extraterrestrial origin of organic materials on Earth. A series of organic samples have been photolysed in Earth orbit during the ESA BIOPAN 6 mission (14-26/09/2007). Their photochemical lifetime has been measured and compared to results recorded in the laboratory using a lamp that simulates the solar radiation in the VUV domain. The half-lives at a distance of 1 AU from the Sun have been measured for glycine, xanthine, hypoxanthine, adenine, guanine, urea, carbon suboxide polymer ((C 3O 2) n) and HCN polymer. They range from a few days to a lower limit of a few tens of days for the most photoresistant (e.g. adenine, guanine, hypoxanthine). Lifetimes measured in terrestrial orbit are very different from those derived with laboratory experiments. These measurements confirm that it is difficult to simulate the solar spectrum below 200 nm in the laboratory. Results are discussed and highlight the necessity to conduct experiments in orbit, and for longer duration. It also appears that the laboratory measurements made in VUV must be extrapolated very cautiously to the different environments they are supposed to simulate.

  9. Multi-component intermetallic electrodes for lithium batteries

    DOEpatents

    Thackeray, Michael M; Trahey, Lynn; Vaughey, John T

    2015-03-10

    Multi-component intermetallic negative electrodes prepared by electrochemical deposition for non-aqueous lithium cells and batteries are disclosed. More specifically, the invention relates to composite intermetallic electrodes comprising two or more compounds containing metallic or metaloid elements, at least one element of which can react with lithium to form binary, ternary, quaternary or higher order compounds, these compounds being in combination with one or more other metals that are essentially inactive toward lithium and act predominantly, but not necessarily exclusively, to the electronic conductivity of, and as current collection agent for, the electrode. The invention relates more specifically to negative electrode materials that provide an operating potential between 0.05 and 2.0 V vs. metallic lithium.

  10. Fundamentals of mechanical behavior in structural intermetallics: A synthesis of atomistic and continuum modeling

    SciTech Connect

    Yoo, M.H.; Fu, C.L.

    1993-08-01

    After a brief account of the recent advances in computational research on mechanical behavior of structural intermetallics, currently unresolved problems and critical issues are addressed and the knowledge base for potential answers to these problems is discussed. As large-scale problems (e.g., dislocation core structures, grain boundaries, and crack tips) are treated by atomistic simulations, future development of relevant interatomic potentials should be made consistent with the results of first-principles calculations. The bulk and defect properties calculated for intermetallic compounds, both known and as yet untested, can furnish insights to alloy designers in search of new high-temperature structural intermetallics.

  11. Third Intermetallic Matrix Composites Symposium, volume 350

    SciTech Connect

    Graves, J.A.; Bowman, R.R.; Lewandowski, J.J.

    1994-04-01

    Partial contents include: issues in potential IMC application for aerospace structures; powder metallurgy processing of intermetallic matrix composites; microstructure and properties of intermetallic matrix composites produced by reaction synthesis; combustion synthesis of niobium aluminide matrix composites; ambient temperature synthesis of bulk intermetallics; wear behavior of SHS intermetallic matrix composites; fracture characteristics of metal-intermetallic laminates produced by SHS reactions; and vapor phase synthesis of Ti aluminides and the interfacial bonding effect on the mechanical property of micro-composites reinforced by pyrolized SiC fibers.

  12. The atmosphere of the primitive earth and the prebiotic synthesis of organic compounds

    NASA Technical Reports Server (NTRS)

    Miller, S. L.; Schlesinger, G.

    1983-01-01

    The prebiotic synthesis of organic compounds is investigated using a spark discharge on various simulated prebiotic atmospheres at 25 C. It is found that glycine is almost the only amino acid produced from the model atmospheres containing CO and CO2. These results show that the maximum yield is about the same for the three carbon sources (CO, CO2, and CH4) at high H2/carbon ratios, but that CH4 is superior at low H2/carbon ratios. CH4 is found to yield a much greater variety of amino acids than either CO or CO2. If it is assumed that amino acids more complex than glycine were required for the origin of life, then these findings indicate the need for CH4 in the primitive atmosphere. The yields of cyanide and formaldehyde are shown to parallel the amino acid results, with yields of HCN and H2CO as high as 13 percent based on carbon. Ammonia is also found to be produced from N2 in experiments with no added NH3 in yields as high as 4.9 percent. These results indicate that large amounts of NH3 would have been synthesized on the primitive earth by electric discharges.

  13. Thermomechanical processing of plasma sprayed intermetallic sheets

    DOEpatents

    Hajaligol, Mohammad R.; Scorey, Clive; Sikka, Vinod K.; Deevi, Seetharama C.; Fleischhauer, Grier; Lilly, Jr., A. Clifton; German, Randall M.

    2001-01-01

    A powder metallurgical process of preparing a sheet from a powder having an intermetallic alloy composition such as an iron, nickel or titanium aluminide. The sheet can be manufactured into electrical resistance heating elements having 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 iron aluminide has an entirely ferritic microstructure which is free of austenite and can include, in weight %, 4 to 32% Al, and optional additions such as .ltoreq.1% Cr, .gtoreq.0.05% Zr .ltoreq.2% Ti, .ltoreq.2% Mo, .ltoreq.1% Ni, .ltoreq.0.75% C, .ltoreq.0.1% B, .ltoreq.1% submicron oxide particles and/or electrically insulating or electrically conductive covalent ceramic particles, .ltoreq.1% rare earth metal, and/or .ltoreq.3% Cu. The process includes forming a non-densified metal sheet by consolidating a powder having an intermetallic alloy composition such as by roll compaction, tape casting or plasma spraying, forming a cold rolled sheet by cold rolling the non-densified metal sheet so as to increase the density and reduce the thickness thereof and annealing the cold rolled sheet. The powder can be a water, polymer or gas atomized powder which is subjecting to sieving and/or blending with a binder prior to the consolidation step. After the consolidation step, the sheet can be partially sintered. The cold rolling and/or annealing steps can be repeated to achieve the desired sheet thickness and properties. The annealing can be carried out in a vacuum furnace with a vacuum or inert atmosphere. During final annealing, the cold rolled sheet recrystallizes to an average grain size of about 10 to 30 .mu.m. Final stress relief annealing can be carried out in the B2 phase temperature range.

  14. Magnetic properties of RT2Zn20; R = rare earth, T = Fe, Co, Ru, Os and Ir

    SciTech Connect

    Jia, Shuang

    2008-01-01

    It is well known that rare earth intermetallic compounds have versatile, magnetic properties associated with the 4f electrons: a local moment associated with the Hund's rule ground state is formed in general, but a strongly correlated, hybridized state may also appear for specific 4f electronic configuration (eg. for rare earth elements such as Ce or Yb). On the other hand, the conduction electrons in rare earth intermetallic compounds, certainly ones associated with non hybridizing rare earths, usually manifest non-magnetic behavior and can be treated as a normal, non-interacted Fermi liquid, except for some 3d-transition metal rich binary or ternary systems which often manifest strong, itinerant, d electron dominant magnetic behavior. Of particular interest are examples in which the band filling of the conduction electrons puts the system in the vicinity of a Stoner transition: such systems, characterized as nearly or weakly ferromagnet, manifest strongly correlated electronic properties [Moriya, 1985]. For rare earth intermetallic compounds, such systems provide an additional versatility and allow for the study of the behaviors of local moments and hybridized moments which are associated with 4f electron in a correlated conduction electron background.

  15. Low-Temperature Synthesis Routes to Intermetallic Superconductors

    SciTech Connect

    Schaak, Raymond E

    2008-01-08

    Over the past few years, our group has gained expertise at developing low-temperature solution-based synthetic pathways to complex nanoscale solids, with particular emphasis on nanocrystalline intermetallic compounds. Our synthetic capabilities are providing tools to reproducibly generate intermetallic nanostructures with simultaneous control over crystal structure, composition, and morphology. This DOE-funded project aims to expand these capabilities to intermetallic superconductors. This could represent an important addition to the tools that are available for the synthesis and processing of intermetallic superconductors, which traditionally utilize high-temperature, high-pressure, thin film, or gas-phase vacuum deposition methods. Our current knowledge of intermetallic superconductors suggests that significant enhancements could result from the inherent benefits of low-temperature solution synthesis, e.g. metastable phase formation, control over nanoscale morphology to facilitate size-dependent property studies, robust and inexpensive processability, low-temperature annealing and consolidation, and impurity incorporation (for doping, stoichiometry control, flux pinning, and improving the critical fields). Our focus is on understanding the superconducting properties as a function of synthetic route, crystal structure, crystallite size, and morphology, and developing the synthetic tools necessary to accomplish this. This research program can currently be divided into two classes of superconducting materials: intermetallics (transition metal/post transition metal) and metal carbides/borides. Both involve the development and exploitation of low-temperature synthesis routes followed by detailed characterization of structures and properties, with the goal of understanding how the synthetic pathways influence key superconducting properties of selected target materials. Because of the low-temperature methods used to synthesize them and the nanocrystalline morphologies

  16. Intermetallic-Based High-Temperature Materials

    SciTech Connect

    Sikka, V.K.

    1999-04-25

    The intermetallic-based alloys for high-temperature applications are introduced. General characteristics of intermetallics are followed by identification of nickel and iron aluminides as the most practical alloys for commercial applications. An overview of the alloy compositions, melting processes, and mechanical properties for nickel and iron aluminizes are presented. The current applications and commercial producers of nickel and iron aluminizes are given. A brief description of the future prospects of intermetallic-based alloys is also given.

  17. Three interesting coordination compounds based on metalloligand and alkaline-earth ions: Syntheses, structures, thermal behaviors and magnetic property

    NASA Astrophysics Data System (ADS)

    Zhou, Qiang; Qian, Jun; Zhang, Chi

    2016-09-01

    Based on metalloligand LCu ([Cu(2,4-pydca)2]2-, 2,4-pydca2- = pyridine-2,4-dicarboxylate) and alkaline-earth ions (Ca2+, Sr2+, and Ba2+), three interesting coordination compounds, [Ca(H2O)7][LCu·H2O]·H2O (1), {Sr[LCu·H2O]·4H2O}n (2), and {Ba[LCu·H2O]·8H2O}n (3), have been synthesized and well-characterized by elemental analysis, infrared spectroscopy, thermogravimetric and single-crystal X-ray diffraction analysis. X-ray crystallographic studies reveal that 1 features a discrete 0D coordination compound, while 2 and 3 exhibit the 2D network and 1D chain structures, respectively. Compound 2 is constructed from {LCu}2 dimers connected with {Sr2} units, which is fabricated by two Sr2+ ions bridged via two μ2-O bridges, while compound 3 is formed by 1D {Ba}n chain linked with metalloligands LCu and exhibits an interesting sandwich like chain structure. It is noted that the coordination numbers of alkaline-earth ions are in positive correlation with their radiuses. Moreover, the magnetic property of compound 2 has been studied.

  18. Method for making devices having intermetallic structures and intermetallic devices made thereby

    DOEpatents

    Paul, Brian Kevin; Wilson, Richard Dean; Alman, David Eli

    2004-01-06

    A method and system for making a monolithic intermetallic structure are presented. The structure is made from lamina blanks which comprise multiple layers of metals which are patternable, or intermetallic lamina blanks that are patternable. Lamina blanks are patterned, stacked and registered, and processed to form a monolithic intermetallic structure. The advantages of a patterned monolithic intermetallic structure include physical characteristics such as melting temperature, thermal conductivity, and corrosion resistance. Applications are broad, and include among others, use as a microreactor, heat recycling device, and apparatus for producing superheated steam. Monolithic intermetallic structures may contain one or more catalysts within the internal features.

  19. Suppressors made from intermetallic materials

    SciTech Connect

    Klett, James W; Muth, Thomas R; Cler, Dan L

    2014-11-04

    Disclosed are several examples of apparatuses for suppressing the blast and flash produced as a projectile is expelled by gases from a firearm. In some examples, gases are diverted away from the central chamber to an expansion chamber by baffles. The gases are absorbed by the expansion chamber and desorbed slowly, thus decreasing pressure and increasing residence time of the gases. In other examples, the gases impinge against a plurality of rods before expanding through passages between the rods to decrease the pressure and increase the residence time of the gases. These and other exemplary suppressors are made from an intermetallic material composition for enhanced strength and oxidation resistance at high operational temperatures.

  20. High Temperature Chemistry of Rare Earth Compounds: Dramatic Examples of Periodicity.

    ERIC Educational Resources Information Center

    Cater, E. David

    1978-01-01

    Reports that energy required to promote a 4f electron to the 5d level has a profound and predictable influence on the systematics of reactions involving conversion of rare earth atoms from combined to free states. (Author/MA)

  1. Tetranuclear and Pentanuclear Compounds of the Rare-Earth Metals: Synthesis and Magnetism.

    PubMed

    Yadav, Munendra; Mondal, Abhishake; Mereacre, Valeriu; Jana, Salil Kumar; Powell, Annie K; Roesky, Peter W

    2015-08-17

    The Schiff-base proligand 4-tert-butyl-2,6-bis-[(2-hydroxy-phenylimino)methyl]phenol (H3L) was prepared in situ from 4-tert-butyl-2,6-diformylphenol and 2-aminophenol. The proligand (H3L) was used with dibenzoylmethane (DBMH) or acetylacetone (acacH) with lanthanides giving compounds with varying arrangements of metal atoms and nuclearities. The tetranuclear compound {[Dy4(L)3(DBM)4][Et3NH]} (1) and pentanuclear compound {[Dy5(μ3-OH)2(L)3(DBM)4(MeOH)4]·4(MeOH)} (2) were obtained from the ligand (L)(3-) and dibenzoylmethane. The tetranuclear compounds {[Dy4(μ4-OH)(L)2(acac)4(MeOH)2(EtOH)(H2O)]·(NO3)·2(MeOH)·3(EtOH)} (3) and {[Ln4(μ3-OH)2(L)(HL)(acac)5(H2O)] (HNEt3)(NO3)·2(Et2O)} (Ln = Tb (4), Dy (5), Ho (6), and Tm (7)) resulted when the ligand (L)(3-) was used in the presence of acetylacetone. In the solid state structures, the tetranuclear compound 1 adopts a linear arrangement of metal atoms, while tetranuclear compound 3 has a square grid arrangement of metal atoms, and tetranuclear compounds 4-7 have a seesaw-shaped arrangement of metal atoms. The composition found from single-crystal X-ray analysis of compound 1 and 3-7 is supported by electrospray ionization mass spectrometry (ESI-MS). The magnetic studies on compounds 1 suggest the presence of weak ferromagnetic interactions, whereas compounds 2-6 exhibit weak antiferromagnetic interactions between neighboring metal centers. Compounds 1, 2, and 3 also show single-molecule magnet behavior under an applied dc field.

  2. Cerium-based, intermetallic-strengthened aluminum casting alloy: High-volume co-product development

    DOE PAGESBeta

    Sims, Zachary C.; Weiss, D.; McCall, S. K.; McGuire, M. A.; Ott, R. T.; Geer, Tom; Rios, Orlando; Turchi, P. A. E.

    2016-05-23

    Here, several rare earth elements are considered by-products to rare earth mining efforts. By using one of these by-product elements in a high-volume application such as aluminum casting alloys, the supply of more valuable rare earths can be globally stabilized. Stabilizing the global rare earth market will decrease the long-term criticality of other rare earth elements. The low demand for Ce, the most abundant rare earth, contributes to the instability of rare earth extraction. In this article, we discuss a series of intermetallic-strengthened Al alloys that exhibit the potential for new high-volume use of Ce. The castability, structure, and mechanicalmore » properties of binary, ternary, and quaternary Al-Ce based alloys are discussed. We have determined Al-Ce based alloys to be highly castable across a broad range of compositions. Nanoscale intermetallics dominate the microstructure and are the theorized source of the high ductility. In addition, room-temperature physical properties appear to be competitive with existing aluminum alloys with extended high-temperature stability of the nanostructured intermetallic.« less

  3. Cerium-Based, Intermetallic-Strengthened Aluminum Casting Alloy: High-Volume Co-product Development

    NASA Astrophysics Data System (ADS)

    Sims, Zachary C.; Weiss, D.; McCall, S. K.; McGuire, M. A.; Ott, R. T.; Geer, Tom; Rios, Orlando; Turchi, P. A. E.

    2016-07-01

    Several rare earth elements are considered by-products to rare earth mining efforts. By using one of these by-product elements in a high-volume application such as aluminum casting alloys, the supply of more valuable rare earths can be globally stabilized. Stabilizing the global rare earth market will decrease the long-term criticality of other rare earth elements. The low demand for Ce, the most abundant rare earth, contributes to the instability of rare earth extraction. In this article, we discuss a series of intermetallic-strengthened Al alloys that exhibit the potential for new high-volume use of Ce. The castability, structure, and mechanical properties of binary, ternary, and quaternary Al-Ce based alloys are discussed. We have determined Al-Ce based alloys to be highly castable across a broad range of compositions. Nanoscale intermetallics dominate the microstructure and are the theorized source of the high ductility. In addition, room-temperature physical properties appear to be competitive with existing aluminum alloys with extended high-temperature stability of the nanostructured intermetallic.

  4. The preparation of the Ti-Al alloys based on intermetallic phases

    NASA Astrophysics Data System (ADS)

    Kosova, N.; Sachkov, V.; Kurzina, I.; Pichugina, A.; Vladimirov, A.; Kazantseva, L.; Sachkova, A.

    2016-01-01

    This article deals with a method of obtaining materials in the Ti-Al system. Research was carried out in accordance with the phase diagram of the system state. It was established, that both single-phase and multiphase systems, containing finely dispersed intermetallic compositions of phases Ti3Al, TiAl and TiAl3, are formed. Additionally, it was found that the pure finely dispersed (coherent-scattering region (CSR) up to 100 nm) intermetallic compound TiAl3 is formed at molar ratio of Ti:Al = 1:3. Experimentally proved the possibility of produce the complex composition of alloys and intermetallic compounds and products based on them.

  5. Synthesis of organic compounds in interstellar dust and their transport to earth via comets

    NASA Astrophysics Data System (ADS)

    Mayo Greenberg, J.

    It now appears that the chemical evolution of the pre-solar system interstellar dust ensures that a major fraction of comets is in the form of complex organic molecules at least partially of a prebiotic nature and that the submicron interstellar dust preserves its chemical integrity as a result of forming a very tenuous low density comet structure whose solid matter occupies ~ 1/5 of the total volume. This low density micro structure further provides a physical basis for comets bringing a significant fraction of the original interstellar organic molecules to the earth unmodified by the impact event. Finally, the evidence for a large number of comet collisions with the early earth ensured that the major organic molecular budget on the earth's surface was ``continuously'' supplied along with water well before 3.8 billion years ago which is the earliest date for life.

  6. Understanding and prediction of electronic-structure-driven physical behaviors in rare-earth compounds

    NASA Astrophysics Data System (ADS)

    Paudyal, Durga; Pathak, Arjun K.; Pecharsky, V. K.; Gschneidner, K. A., Jr.

    2013-10-01

    Rare-earth materials, due to their unique magnetic properties, are important for fundamental and technological applications such as advanced magnetic sensors, magnetic data storage, magnetic cooling and permanent magnets. For an understanding of the physical behaviors of these materials, first principles techniques are one of the best theoretical tools to explore the electronic structure and evaluate exchange interactions. However, first principles calculations of the crystal field splitting due to intra-site electron-electron correlations and the crystal environment in the presence of exchange splitting in rare-earth materials are rarely carried out despite the importance of these effects. Here we consider rare-earth dialuminides as model systems and show that the low temperature anomalies observed in these systems are due to the variation of both exchange and crystal field splitting leading to anomalous intra-site correlated-4f and itinerant-5d electronic states near the Fermi level. From calculations supported by experiments we uncover that HoAl2 is unique among rare-earth dialuminides, in that it undergoes a cubic to orthorhombic distortion leading to a spin reorientation. Calculations of a much more extended family of mixed rare-earth dialuminides reveal an additional degree of complexity: the effective quadrupolar moment of the lanthanides changes sign as a function of lanthanide concentration, leading to a change in the sign of the anisotropy constant. At this point the quadrupolar interactions are effectively reduced to zero, giving rise to lattice instability and leading to new phenomena. This study shows a clear picture that accurate evaluation of the exchange, crystal field splitting and shape of the charge densities allows one to understand, predict and control the physical behaviors of rare-earth materials.

  7. Understanding and prediction of electronic-structure-driven physical behaviors in rare-earth compounds.

    PubMed

    Paudyal, Durga; Pathak, Arjun K; Pecharsky, V K; Gschneidner, K A

    2013-10-01

    Rare-earth materials, due to their unique magnetic properties, are important for fundamental and technological applications such as advanced magnetic sensors, magnetic data storage, magnetic cooling and permanent magnets. For an understanding of the physical behaviors of these materials, first principles techniques are one of the best theoretical tools to explore the electronic structure and evaluate exchange interactions. However, first principles calculations of the crystal field splitting due to intra-site electron-electron correlations and the crystal environment in the presence of exchange splitting in rare-earth materials are rarely carried out despite the importance of these effects. Here we consider rare-earth dialuminides as model systems and show that the low temperature anomalies observed in these systems are due to the variation of both exchange and crystal field splitting leading to anomalous intra-site correlated-4f and itinerant-5d electronic states near the Fermi level. From calculations supported by experiments we uncover that HoAl2 is unique among rare-earth dialuminides, in that it undergoes a cubic to orthorhombic distortion leading to a spin reorientation. Calculations of a much more extended family of mixed rare-earth dialuminides reveal an additional degree of complexity: the effective quadrupolar moment of the lanthanides changes sign as a function of lanthanide concentration, leading to a change in the sign of the anisotropy constant. At this point the quadrupolar interactions are effectively reduced to zero, giving rise to lattice instability and leading to new phenomena. This study shows a clear picture that accurate evaluation of the exchange, crystal field splitting and shape of the charge densities allows one to understand, predict and control the physical behaviors of rare-earth materials.

  8. Structure Defect Property Relationships in Binary Intermetallics

    NASA Astrophysics Data System (ADS)

    Medasani, Bharat; Ding, Hong; Chen, Wei; Persson, Kristin; Canning, Andrew; Haranczyk, Maciej; Asta, Mark

    2015-03-01

    Ordered intermetallics are light weight materials with technologically useful high temperature properties such as creep resistance. Knowledge of constitutional and thermal defects is required to understand these properties. Vacancies and antisites are the dominant defects in the intermetallics and their concentrations and formation enthalpies could be computed by using first principles density functional theory and thermodynamic formalisms such as dilute solution method. Previously many properties of the intermetallics such as melting temperatures and formation enthalpies were statistically analyzed for large number of intermetallics using structure maps and data mining approaches. We undertook a similar exercise to establish the dependence of the defect properties in binary intermetallics on the underlying structural and chemical composition. For more than 200 binary intermetallics comprising of AB, AB2 and AB3 structures, we computed the concentrations and formation enthalpies of vacancies and antisites in a small range of stoichiometries deviating from ideal stoichiometry. The calculated defect properties were datamined to gain predictive capabilities of defect properties as well as to classify the intermetallics for their suitability in high-T applications. Supported by the US DOE under Contract No. DEAC02-05CH11231 under the Materials Project Center grant (Award No. EDCBEE).

  9. Environmental Effects in Advanced Intermetallics

    SciTech Connect

    Liu, C.T.

    1998-11-24

    This paper provides a comprehensive review of environmental embrittlement in iron and nickel aluminizes. The embrittlement involves the interaction of these intermetallics with moisture in air and generation of atomic hydrogen, resulting in hydrogen-induced embrittlement at ambient temperatures. Environmental embrittlement promotes brittle grain-boundary fracture in Ni{sub 3}Al alloys but brittle cleavage fracture in Fe{sub 3}Al-FeAl alloys. The embrittlement strongly depends on strain rate, with tensile-ductility increase with increasing strain rate. It has been demonstrated that environmental embrittlement can be alleviated by alloying additions, surface modifications, and control of grain size and shape. Boron tends to segregate strongly to grain boundaries and is most effective in suppressing environmental embrittlement in Ni{sub 3}Al alloys. The mechanistic understanding of alloy effects and environmental embrittlement has led to the development of nickel and iron aluminide alloys with improved properties for structural use at elevated temperatures in hostile environments.

  10. Method of making sintered ductile intermetallic-bonded ceramic composites

    DOEpatents

    Plucknett, Kevin; Tiegs, Terry N.; Becher, Paul F.

    1999-01-01

    A method of making an intermetallic-bonded ceramic composite involves combining a particulate brittle intermetallic precursor with a particulate reactant metal and a particulate ceramic to form a mixture and heating the mixture in a non-oxidizing atmosphere at a sufficient temperature and for a sufficient time to react the brittle intermetallic precursor and the reactant metal to form a ductile intermetallic and sinter the mixture to form a ductile intermetallic-bonded ceramic composite.

  11. Method of making sintered ductile intermetallic-bonded ceramic composites

    DOEpatents

    Plucknett, K.; Tiegs, T.N.; Becher, P.F.

    1999-05-18

    A method of making an intermetallic-bonded ceramic composite involves combining a particulate brittle intermetallic precursor with a particulate reactant metal and a particulate ceramic to form a mixture and heating the mixture in a non-oxidizing atmosphere at a sufficient temperature and for a sufficient time to react the brittle intermetallic precursor and the reactant metal to form a ductile intermetallic and sinter the mixture to form a ductile intermetallic-bonded ceramic composite. 2 figs.

  12. Total energy calculations of correlated electron compounds: theory and application to rare earth nickelates

    NASA Astrophysics Data System (ADS)

    Park, Hyowon; Millis, Andrew; Marianetti, Chris

    2013-03-01

    We use density functional theory (DFT) plus dynamical mean field theory (DMFT) method, along with DFT+U and Hartree-Fock methods to compute the electronic energy as a function of crystal structure for rare earth nickelates. We show that full charge self-consistency can be essential for obtaining qualitative agreement with experiment and that the choice of double counting correction has an important effect on the energy. Furthermore, the precise definition (projector vs Wannier) of the correlated d-orbitals has a minimal effect. We show that charge self-consistent DFT+DMFT, as opposed to DFT+U, is critical to describing the magnetic-insulator to paramagnetic-metal phase boundary in the rare earth nickelate phase diagram. The authors acknowledge funding from the U. S. Army Research Office via grant No. W911NF0910345 56032PH.

  13. Environmental embrittlement in ordered intermetallic alloys

    SciTech Connect

    Liu, C.T.; Stoloff, N.S.

    1992-12-31

    Ordered intermetallics based on aluminides and silicides possess many promising properties for elevated-temperature applications; however, poor fracture resistance and limited fabricability restrict their use as engineering material. Recent studies have shown that environmental embrittlement is a major cause of low ductility and brittle fracture in many ordered intermetallic alloys. There are two types of environmental embrittlement observed in intermetallic alloys. One is hydrogen-induced embrittlement occurring at ambient temperatures in air. The other is oxygen-induced embrittlement in oxidizing atmospheres at elevated temperatures. In most cases, the embrittlements are due to a dynamic effect involving generation and penetration of embrittling agents (i.e., hydrogen or oxygen ) during testing. Diffusion of embrittling agents plays a dominant role in fracture of these intermetallic alloys. This chapter summarizes recent progress in understanding and reducing environmental embrittlement in these alloys.

  14. Investigations of intermetallic alloy hydriding mechanisms. Annual progress report, May 1 1979-April 30, 1980

    SciTech Connect

    Livesay, B.R.; Larsen, J.W.

    1980-05-01

    Investigations are being conducted on mechanisms involved with the hydrogen-metal interactions which control the absorption and desorption processes in intermetallic compounds. The status of the following investigations is reported: modeling of hydride formation; microbalance investigations; microstructure investigations; flexure experiments; resistivity experiments; and nuclear backscattering measurements. These investigations concern fundamental hydrogen interaction mechanisms involved in storage alloys.

  15. Intermetallic NaAu2 as a heterogeneous catalyst for low-temperature CO oxidation.

    PubMed

    Xiao, Chaoxian; Wang, Lin-Lin; Maligal-Ganesh, Raghu V; Smetana, Volodymyr; Walen, Holly; Thiel, Patricia A; Miller, Gordon J; Johnson, Duane D; Huang, Wenyu

    2013-07-01

    The enhanced stability and modified electronic structure of intermetallic compounds provide discovery of superior catalysts for chemical conversions with high activity, selectivity, and stability. We find that the intermetallic NaAu2 is an active catalyst for CO oxidation at low temperatures. From density functional theory calculations, a reaction mechanism is suggested to explain the observed low reaction barrier of CO oxidation by NaAu2, in which a CO molecule reacts directly with an adsorbed O2 to form an OOCO* intermediate. The presence of surface Na increases the binding energy of O2 and decreases the energy barrier of the transition states.

  16. Wear Behavior and Mechanism of Fe-Al Intermetallic Coating Prepared by Hot-Dip Aluminizing and Diffusion

    NASA Astrophysics Data System (ADS)

    Zhang, Q. Y.; Zhou, Y.; Liu, J. Q.; Chen, K. M.; Mo, J. G.; Cui, X. H.; Wang, S. Q.

    2016-05-01

    A Fe-Al intermetallic compound coating was prepared on AISI H13 steel by hot-dip aluminizing and subsequent high-temperature diffusion. Dry sliding wear tests of the Fe-Al intermetallic coating were performed at 298 K to 873 K (25 °C to 600 °C). The wear behavior of the Fe-Al intermetallic coating was noticed to vary markedly with the temperature and load. At 298 K (25 °C), the wear rate rapidly increased with an increase of the load. As the temperature was elevated, the wear rate dramatically decreased except for the cases under 300 N at 473 K and 673 K (200 °C and 400 °C). The Fe-Al intermetallic coating possessed an excellent elevated-temperature wear performance, especially at 673 K to 873 K (400 °C to 600 °C), but worse room-temperature one, which were noticed to be attributed to the existence and inexistence of thin tribo-oxide layers, respectively. Such a thin tribo-oxide layer was considered to provide a protection for the intermetallic compound. When the tribo-oxide layer did not form at room temperature or the formed one was massively delaminated above the critical load at elevated temperatures, Fe-Al intermetallic coating possessed poor wear resistance.

  17. Dislocation sources in ordered intermetallics

    SciTech Connect

    Yoo, M.H.; Appel, F.; Wagner, R.; Mecking, H.

    1996-09-01

    An overview on the current understanding of dislocation sources and multiplication mechanisms is made for ordered intermetallic alloys of the L1{sub 2}, B2, and D0{sub 19} structures. In L1{sub 2} alloys, a large disparity of edge/screw segments in their relative mobility reduces the efficiency of a Frank-Read Type multiplication mechanism. In Fe-40%Al of the B2 structure, a variety of dislocation sources are available for <111> slip, including ones resulting from condensation of thermal vacancies. In NiAl with the relatively high APB energy, <100> dislocations may result from the dislocation decomposition reactions, the prismatic punching out from inclusion particles, and/or steps and coated layers of the surface. Internal interfaces often provide sites for dislocation multiplication, e.g., grain boundaries, sub-boundaries in Ni{sub 3}Ga, NiAl and Ti{sub 3}Al, and antiphase domain boundaries in Ti{sub 3}Al. As for the crack tip as a dislocation source, extended SISFs trailed by super-Shockley partials emanating form the cracks in Ni{sub 3}Al and Co{sub 3}Ti are discussed in view of a possible toughening mechanism.

  18. Advanced ordered intermetallic alloy deployment

    SciTech Connect

    Liu, C.T.; Maziasz, P.J.; Easton, D.S.

    1997-04-01

    The need for high-strength, high-temperature, and light-weight materials for structural applications has generated a great deal of interest in ordered intermetallic alloys, particularly in {gamma}-based titanium aluminides {gamma}-based TiAl alloys offer an attractive mix of low density ({approximately}4g/cm{sup 3}), good creep resistance, and high-temperature strength and oxidation resistance. For rotating or high-speed components. TiAl also has a high damping coefficient which minimizes vibrations and noise. These alloys generally contain two phases. {alpha}{sub 2} (DO{sub 19} structure) and {gamma} (L 1{sub 0}), at temperatures below 1120{degrees}C, the euticoid temperature. The mechanical properties of TiAl-based alloys are sensitive to both alloy compositions and microstructure. Depending on heat-treatment and thermomechanical processing, microstructures with near equiaxed {gamma}, a duplex structure (a mix of the {gamma} and {alpha}{sub 2} phases) can be developed in TiAl alloys containing 45 to 50 at. % Al. The major concern for structural use of TiAl alloys is their low ductility and poor fracture resistance at ambient temperatures. The purpose of this project is to improve the fracture toughness of TiAl-based alloys by controlling alloy composition, microstructure and thermomechanical treatment. This work is expected to lead to the development of TiAl alloys with significantly improved fracture toughness and tensile ductility for structural use.

  19. Exchange Interactions for R Co B (R=Rare-Earth) Compounds

    NASA Astrophysics Data System (ADS)

    Maruyama, Fumio

    1999-03-01

    To compare the strength of the exchange interactions between R and Co spins and between Co spins for R Co B compounds, we calculated the molecular field coefficients, nRCo and nCoCo, for Rn+1Co3n+5B2n with n=1(RCo4B), n=2(R3Co11B4), n=3(R2Co7B3) and R2Co14B using the experimental Curie temperature. The calculated nRCo values decrease with increasing atomic number of R and Co concentration. The calculated nCoCo values increase with increasing Co concentration.

  20. Rare earth elements and permanent magnets (invited)

    NASA Astrophysics Data System (ADS)

    Dent, Peter C.

    2012-04-01

    Rare earth (RE) magnets have become virtually indispensible in a wide variety of industries such as aerospace, automotive, electronics, medical, and military. RE elements are essential ingredients in these high performance magnets based on intermetallic compounds RECo5, RE2TM17 (TM: transition metal), and RE2TM14B. Rare earth magnets are known for their superior magnetic properties—high induction, and coercive force. These properties arise due to the extremely high magnetocrystalline anisotropy made possible by unique 3d-4f interactions between transition metals and rare earths. For more than 40 years, these magnets remain the number one choice in applications that require high magnetic fields in extreme operating conditions—high demagnetization forces and high temperature. EEC produces and specializes in RECo5 and RE2TM17 type sintered magnets. Samarium and gadolinium are key RE ingredients in the powder metallurgical magnet production processes which include melting, crushing, jet milling, pressing, sintering, and heat treating. The magnetic properties and applications of these magnets will be discussed. We will also briefly discuss the past, current, and future of the permanent magnet business. Currently, over 95% of all pure rare earth oxides are sourced from China, which currently controls the market. We will provide insights regarding current and potential new magnet technologies and designer choices, which may mitigate rare earth supply chain issues now and into the future.

  1. Magnetic order of Tb3Co2.2Si1.8 and Dy3Co2.2Si1.8 as a representative of the family of compounds with orthorhombic distortion of rare earth lattice

    NASA Astrophysics Data System (ADS)

    Morozkin, A. V.; Isnard, O.; Nirmala, R.; Malik, S. K.

    2015-09-01

    Magnetic measurements indicate that the rare earth intermetallic compounds Tb3Co2.2Si1.8 and Dy3Co2.2Si1.8 (Dy3Co2.2Si1.8-type) exhibit ferromagnetic transition at 132 K and 74 K and a spin-reorientation transition around 42 K and 35 K, respectively. Below Curie temperature, both compounds are soft ferromagnets, whereas below the spin reorientation transition they are permanent magnets with antiferromagnetic component: the values of critical field Hc=30 kOe, coercive field Hcoer=17 kOe and residual magnetization Mres=4.1 μB/Tb for Tb3Co2.2Si1.8 and Hc=14 kOe, Hcoer=21.5 kOe and Mres=3.7 μB/Dy for Dy3Co2.2Si1.8 at 2 K. The magnetocaloric effect of Dy3Co2.2Si1.8 is calculated in terms of isothermal magnetic entropy change (ΔSm) and it reaches a values of -16.5 J/kg K at 75 K for a field change of 140 kOe (-8.1 J/kg K at 70 K, for 0-50 kOe change) and -6.0 J/kg K for a field change of 140 kOe (-1.4 J/kg K, for 0-50 kOe change) around 40 K. Neutron diffraction study in zero applied field shows mixed ferro-antiferromagnetic ordering of Tb3Co2.2Si1.8 below ~127 K with wave vectors K0=[0, 0, 0] and K1=[±Kx, 0, 0] (Kx≈3/10). Between ~127 K and 53 K the magnetic structure of Tb3Co2.2Si1.8 is set of canted ferromagnetic cones with a resulting b-axis ferromagnetic component, whereas below 43 K its magnetic structure is set of canted ferromagnetic cones with a resulting c-axis ferromagnetic component. Between 53 K and 43 K the high-temperature magnetic order of Tb3Co2.2Si1.8 transforms to the low-temperature order via an intermediate state. The level of orthorhombic distortion of the Tb-sublattice determines the magnetic ordering of Tb3Co2.2Si1.8 in the Tb→Tb3Co2.2Si1.8→Tb3Co2Ge3→TbGe sequence.

  2. Nuclear Magnetic Resonance in the Highly Anisotropic Rare EARTH-COBALT(5) Compounds.

    NASA Astrophysics Data System (ADS)

    Kunkel, Henry Peter

    The NMR spectra of magnetic materials containing domain walls and having a large anisotropy in the hyperfine field show two NMR peaks arising from a single site; one peak arising from nuclei located at the domain-wall-centre and the other peak arising from nuclei located at the domain -wall-edge. The identification of the origin of the observed peaks therefore gives a simple measurement of the total anisotropy in the hyperfine field. Techniques have been developed to identify the nature of the various peaks observed in the Co('59) NMR resonances in the RCo(,5) compounds. The modulation of the spin echo decay envelope by an external a.c. field has been observed. An enhancement of the external longitudinal modulating field resulting from the anisotropy in the hyperfine field has been identified. This is analogous to the enhancement of a transverse r.f. field by the isotropic hyperfine field which is characteristic of NMR in ferromagnetic materials. The observation of quadrupole splitting effects has been correlated to the rate of change of the hyperfine field in the domain wall as measured by the modulation experiment. The orbital contribution to the anisotropy in the hyperfine field consists of two contributions; one arising from the anisotropy in the crystal field and the other from an anisotropy in the spin-orbit interaction. A phenomenological model is presented which can consistently account for the data available on the anisotropy in the hyperfine field, the anisotropy in the magnetization and the magnetocrystalline anisotropy. The correlation between the anisotropy in the hyperfine field and the magnetocrystalline anisotropy represents an interesting new procedure for the study of the magnetocrystalline anisotropy and would therefore be of particular use in the fabrication of improved permanent magnetic materials.

  3. Measurement of chemical activities of rare earths (RE: Ce, Pr, Sm and Eu) in cadmium alloy

    NASA Astrophysics Data System (ADS)

    Ghosh, Sajal; Ganesan, Rajesh; Sridharan, R.; Gnanasekaran, T.

    2015-12-01

    Activity of rare earth (RE) elements, Ce, Pr, Sm and Eu is measured in each of the cadmium rich binary alloys of RE, by making use of a molten salt based electrochemical cell. The binary alloy consists of a mixture of cadmium rich intermetallic compound and a liquid phase of known composition. Four independent cells are constructed; one for each of the rare earth elements and electromotive force (EMF) is measured as a function of temperature for each cell, respectively. Partial molar Gibbs energy of these rare earth metals in liquid cadmium is derived from the EMF output over a temperature range. Gibbs energy of formation of CeCd11, PrCd11, SmCd6 and EuCd11 are deduced from the measured EMF values and the reported literature data on the solubility of rare earth elements in liquid cadmium.

  4. A comparative first-principles study on electronic structures and mechanical properties of ternary intermetallic compounds Al8Cr4Y and Al8Cu4Y: Pressure and tension effects

    NASA Astrophysics Data System (ADS)

    Yang, Wenchao; Pang, Mingjun; Tan, Yong; Zhan, Yongzhong

    2016-11-01

    An investigation into the bulk properties, elastic properties and Debye temperature under pressure, and deformation mode under tension of Al8Cu4Y and Al8Cr4Y compounds was investigated by using first principles calculations based on density functional theory. The calculated lattice constants for the ternary compounds (Al8Cu4Y and Al8Cr4Y) are in good agreement with the experimental data. It can be seen from interatomic distances that the bonding between Al1 atom and Cr, Y, and Al2 atoms in Al8Cr4Y are stronger than Al8Cu4Y. The results of cohesive energy show that Al8Cr4Y should be easier to be formed and much stronger chemical bonds than Al8Cu4Y. The bulk modulus B, shear modulus G, Young's modulus E and Poisson's ratio ν can be obtained by using the Voigt-Reuss-Hill averaging scheme. From the results of elastic properties, Al8Cr4Y has the stronger mechanical behavior than Al8Cu4Y. Our calculations also show that pressure has a greater effect on mechanical behavior for both compounds. The ideal tensile strength are obtained by stress-strain relationships under [001](001) uniaxial tensile deformation, which are 15.4 and 23.4 GPa for Al8Cu4Y and Al8Cr4Y, respectively. The total and partial density of states and electron charge density under uniaxial tensile deformations for Al8Cu4Y and Al8Cr4Y compounds are also calculated and discussed in this work.

  5. Rare earth metal rich magnesium compounds RE{sub 4}NiMg (RE=Y, Pr-Nd, Sm, Gd-Tm, Lu)-Synthesis, structure, and hydrogenation behavior

    SciTech Connect

    Tuncel, Selcan; Roquefere, Jean Gabriel; Stan, Cristina; Bobet, Jean-Louis Chevalier, Bernard Gaudin, Etienne; Hoffmann, Rolf-Dieter; Rodewald, Ute Ch; Poettgen, Rainer

    2009-02-15

    The rare earth metal rich compounds RE{sub 4}NiMg (RE=Y, Pr-Nd, Sm, Gd-Tm, Lu) were synthesized from the elements in sealed tantalum tubes in an induction furnace. All compounds were investigated by X-ray diffraction on powders and single crystals: Gd{sub 4}RhIn type, space group F4-bar 3m, Z=16, a=1367.6(2) pm for Y{sub 4}NiMg, a=1403.7(3) pm for Pr{sub 4}NiMg, a=1400.7(1) pm for Nd{sub 4}NiMg, a=1386.5(2) pm for Sm{sub 4}NiMg, a=1376.1(2) pm for Gd{sub 4}NiMg, a=1362.1(1) pm for Tb{sub 4}NiMg, a=1355.1(2) pm for Dy{sub 4}NiMg, a=1355.2(1) pm for Ho{sub 4}NiMg, a=1354.3(2) pm for Er{sub 4}NiMg, a=1342.9(3) pm for Tm{sub 4}NiMg, and a=1336.7(3) pm for Lu{sub 4}NiMg. The nickel atoms have trigonal prismatic rare earth coordination. These NiRE{sub 6} prisms are condensed via common edges to a three-dimensional network which leaves voids for Mg{sub 4} tetrahedra and the RE1 atoms which show only weak coordination to the nickel atoms. The single crystal data indicate two kinds of solid solutions. The RE1 positions reveal small RE1/Mg mixing and some compounds also show Ni/Mg mixing within the Mg{sub 4} tetrahedra. Y{sub 4}NiMg and Gd{sub 4}NiMg have been tested for hydrogenation. These compounds absorb up to eleven hydrogen atoms per formula unit under a hydrogen pressure of 1 MPa at room temperature. The structure of the metal atoms is maintained with only an increase of the lattice parameters ({delta}V/V{approx}22%) if the absorption is done at T<363 K as at higher temperature a decomposition into REH{sub 2}-REH{sub 3} hydrides occurred. Moreover, the hydrogenation affects drastically the magnetic properties of these intermetallics. For instance, Gd{sub 4}NiMg exhibits an antiferromagnetic behavior below T{sub N}=92 K whereas its hydride Gd{sub 4}NiMgH{sub 11} is paramagnetic down to 1.8 K. - Graphical abstract: The Mg{sub 4} and NiGd{sub 6} units in Gd{sub 4}NiMg and Gd{sub 4}NiMgH{sub x}.

  6. Spark plasma sintering of titanium aluminide intermetallics and its composites

    NASA Astrophysics Data System (ADS)

    Aldoshan, Abdelhakim Ahmed

    Titanium aluminide intermetallics are a distinct class of engineering materials having unique properties over conventional titanium alloys. gamma-TiAl compound possesses competitive physical and mechanical properties at elevated temperature applications compared to Ni-based superalloys. gamma-TiAl composite materials exhibit high melting point, low density, high strength and excellent corrosion resistance. Spark plasma sintering (SPS) is one of the powder metallurgy techniques where powder mixture undergoes simultaneous application of uniaxial pressure and pulsed direct current. Unlike other sintering techniques such as hot iso-static pressing and hot pressing, SPS compacts the materials in shorter time (< 10 min) with a lower temperature and leads to highly dense products. Reactive synthesis of titanium aluminide intermetallics is carried out using SPS. Reactive sintering takes place between liquid aluminum and solid titanium. In this work, reactive sintering through SPS was used to fabricate fully densified gamma-TiAl and titanium aluminide composites starting from elemental powders at different sintering temperatures. It was observed that sintering temperature played significant role in the densification of titanium aluminide composites. gamma-TiAl was the predominate phase at different temperatures. The effect of increasing sintering temperature on microhardness, microstructure, yield strength and wear behavior of titanium aluminide was studied. Addition of graphene nanoplatelets to titanium aluminide matrix resulted in change in microhardness. In Ti-Al-graphene composites, a noticeable decrease in coefficient of friction was observed due to the influence of self-lubrication caused by graphene.

  7. Magnetic and thermal properties of RCu9In2 (R=La, Ce, Pr, Nd, Sm and Eu) compounds

    NASA Astrophysics Data System (ADS)

    Baran, S.; Przewoźnik, J.; Kalychak, Ya. M.; Tyvanchuk, Yu.; Szytuła, A.

    2016-07-01

    The RCu9In2 intermetallics with R=La, Ce, Pr, Nd, Sm, Eu have been synthesized and characterized with regards to their crystal structure as well as magnetic and thermal properties. The compounds have tetragonal structure of the YNi9In2-type (space group P4/mbm). Except for LaCu8.25In2.75, they exhibit localized magnetism due to the presence of magnetic moments on the respective trivalent rare-earth ions. The Nd-, Sm- and Eu- based compounds order antiferromagnetically below 4.6, 11.0 and 23.2 K, respectively.

  8. Microstructural evolution and intermetallic formation in Al-8wt% Si-0.8wt% Fe alloy due to grain refiner and modifier additions

    NASA Astrophysics Data System (ADS)

    Hassani, Amir; Ranjbar, Khalil; Sami, Sattar

    2012-08-01

    An alloy of Al-8wt% Si-0.8wt% Fe was cast in a metallic die, and its microstructural changes due to Ti-B refiner and Sr modifier additions were studied. Apart from usual refinement and modification of the microstructure, some mutual influences of the additives took place, and no mutual poisoning effects by these additives, in combined form, were observed. It was noticed that the dimensions of the iron-rich intermetallics were influenced by the additives causing them to become larger. The needle-shaped intermetallics that were obtained from refiner addition became thicker and longer when adding the modifier. It was also found that α-Al and eutectic silicon phases preferentially nucleate on different types of intermetallic compounds. The more iron content of the intermetallic compounds and the more changes in their dimensions occurred. Formation of the shrinkage porosities was also observed.

  9. Preparation and properties of the Ni-Al/Fe-Al intermetallics composite coating produced by plasma cladding

    NASA Astrophysics Data System (ADS)

    Zhang, Li-Min; Liu, Bang-Wu; Sun, Dong-Bai

    2011-12-01

    A novel approach to produce an intermetallic composite coating was put forward. The microstructure, microhardness, and dry-sliding wear behavior of the composite coating were investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive spectrum (EDS) analysis, microhardness test, and ball-on-disc wear experiment. XRD results indicate that some new phases FeAl, Fe0.23Ni0.77Al, and Ni3Al exit in the composite coating with the Al2O3 addition. SEM results show that the coating is bonded with carbon steel metallurgically and exhibits typical rapid directional solidification structures. The Cr7C3 carbide and intermetallic compounds co-reinforced composite coating has a high average hardness and exhibits an excellent wear resistance under dry-sliding wear test compared with the Cr7C3 carbide-reinforced composite coating. The formation mechanism of the intermetallic compounds was also investigated.

  10. Surfaces of Intermetallics: Quasicrystals and Beyond

    SciTech Connect

    Yuen, Chad

    2012-01-01

    The goal of this work is to characterize surfaces of intermetallics, including quasicrystals. In this work, surface characterization is primarily focused on composition and structure using X-ray photoelectron spectroscopy (XPS) and scanning tunneling microscopy (STM) performed under ultrahigh vacuum (UHV) conditions.

  11. Wet chemical synthesis of intermetallic Pt3Zn nanocrystals via weak reduction reaction together with UPD process and their excellent electrocatalytic performances

    NASA Astrophysics Data System (ADS)

    Chen, Qiaoli; Zhang, Jiawei; Jia, Yanyan; Jiang, Zhiyuan; Xie, Zhaoxiong; Zheng, Lansun

    2014-05-01

    Platinum based alloy nanocrystals are promising catalysts for a variety of important practical process. However, it remains a great challenge to synthesize platinum-based intermetallic compound nanocrystals with well-defined surface structures. In this communication, taking the synthesis of concave cubic intermetallic Pt3Zn nanocrystals with {hk0} facets as an example, we proposed a new synthesis strategy for intermetallic compounds by reduction of noble metal precursors via a slow reduction process and reduction of transition metal ions via an underpotential deposition (UPD) process in wet chemical synthesis. The as-prepared intermetallic Pt3Zn nanocrystals exhibited superior CO poisoning tolerance and high electro-catalytic activity in both methanol and formic acid oxidation reactions in comparison with solid solution Pt3Zn nanocrystals and Pt/C.Platinum based alloy nanocrystals are promising catalysts for a variety of important practical process. However, it remains a great challenge to synthesize platinum-based intermetallic compound nanocrystals with well-defined surface structures. In this communication, taking the synthesis of concave cubic intermetallic Pt3Zn nanocrystals with {hk0} facets as an example, we proposed a new synthesis strategy for intermetallic compounds by reduction of noble metal precursors via a slow reduction process and reduction of transition metal ions via an underpotential deposition (UPD) process in wet chemical synthesis. The as-prepared intermetallic Pt3Zn nanocrystals exhibited superior CO poisoning tolerance and high electro-catalytic activity in both methanol and formic acid oxidation reactions in comparison with solid solution Pt3Zn nanocrystals and Pt/C. Electronic supplementary information (ESI) available: Additional characterization data. See DOI: 10.1039/c4nr00313f

  12. Elastic anisotropy, vibrational, and thermodynamic properties of U{sub 2}Ti intermetallic compound with AlB{sub 2}-type structure under high pressure up to 100 GPa

    SciTech Connect

    Yang, Jinwen; Gao, Tao; Liu, Benqiong; Sun, Guangai; Chen, Bo

    2015-03-28

    Structural, elastic anisotropy, dynamical, and thermodynamic properties of U{sub 2}Ti have been studied by employing density functional theory and density functional perturbative theory. The optimized lattice parameters a, c, unit volume V, bulk modulus B, and bond lengths d{sub U-U}, d{sub U-Ti} of U{sub 2}Ti are in favorable agreement with the available experimental data and other theoretical values. The elastic constants under pressure were obtained using “energy-strain” method. The polycrystalline modulus, Poisson's ratio, brittle/ductile characteristics, Debye temperature and the integration of elastic wave velocities over different directions, and hardness under pressure are also evaluated successfully. The anisotropy of the directional bulk modulus and the Young's modulus is systematically predicted for the first time. It turns out that U{sub 2}Ti should be stabilized mechanically up to 100 GPa, this compound just possesses slightly elastic anisotropy at zero pressure; however, the anisotropy becomes more and more significant with the increasing pressure. In particular, the phonon dispersion curves and phonon density of state under pressure are reported for the first time. The Raman and infrared-active phonon modes at Γ point are further assigned. Our results indicate that U{sub 2}Ti is also stable dynamically up to 100 GPa. Additionally, within the calculated phonon density of states, the thermodynamic properties are predicted.

  13. Dissolution of iron intermetallics in Al-Si alloys through nonequilibrium heat treatment

    SciTech Connect

    Anantha Narayanan, L. |; Samuel, F.H.; Gruzleski, J.E.

    1995-08-01

    Conventional heat treatment techniques in Al-Si alloys to achieve optimum mechanical properties are limited to precipitation strengthening processes due to the presence of second-phase particles and spheroidization of silicon particles. The iron intermetallic compounds present in the microstructure of these alloys are reported to be stable, and they do not dissolve during conventional (equilibrium) heat treatments. The dissolution behavior of iron intermetallics on nonequilibrium heat treatment has been investigated by means of microstructure and mechanical property studies. The dissolution of iron intermetallics improves with increasing solution temperature. The addition of manganese to the alloy hinders the dissolution of iron intermetallics. Nonequilibrium heat treatment increases the strength properties of high iron alloys until a critical solution temperature is exceeded. Above this temperature, a large amount of liquid phase is formed as a result of interdendritic and grain boundary melting. The optimum solution treatment temperature for Al-6Si-3.5Cu-0.3Mg-1Fe alloys is found to be between 515 C and 520 C.

  14. Process for synthesizing compounds from elemental powders and product

    DOEpatents

    Rabin, Barry H.; Wright, Richard N.

    1993-01-01

    A process for synthesizing intermetallic compounds from elemental powders. The elemental powders are initially combined in a ratio which approximates the stoichiometric composition of the intermetallic compound. The mixed powders are then formed into a compact which is heat treated at a controlled rate of heating such that an exothermic reaction between the elements is initiated. The heat treatment may be performed under controlled conditions ranging from a vacuum (pressureless sintering) to compression (hot pressing) to produce a desired densification of the intermetallic compound. In a preferred form of the invention, elemental powders of Fe and Al are combined to form aluminide compounds of Fe.sub.3 Al and FeAl.

  15. The μ3 model of acids and bases: extending the Lewis theory to intermetallics.

    PubMed

    Stacey, Timothy E; Fredrickson, Daniel C

    2012-04-01

    A central challenge in the design of new metallic materials is the elucidation of the chemical factors underlying the structures of intermetallic compounds. Analogies to molecular bonding phenomena, such as the Zintl concept, have proven very productive in approaching this goal. In this Article, we extend a foundational concept of molecular chemistry to intermetallics: the Lewis theory of acids and bases. The connection is developed through the method of moments, as applied to DFT-calibrated Hückel calculations. We begin by illustrating that the third and fourth moments (μ(3) and μ(4)) of the electronic density of states (DOS) distribution tune the properties of a pseudogap. μ(3) controls the balance of states above and below the DOS minimum, with μ(4) then determining the minimum's depth. In this way, μ(3) predicts an ideal occupancy for the DOS distribution. The μ(3)-ideal electron count is used to forge a link between the reactivity of transition metals toward intermetallic phase formation, and that of Lewis acids and bases toward adduct formation. This is accomplished through a moments-based definition of acidity which classifies systems that are electron-poor relative to the μ(3)-ideal as μ(3)-acidic, and those that are electron-rich as μ(3)-basic. The reaction of μ(3) acids and bases, whether in the formation of a Lewis acid/base adduct or an intermetallic phase, tends to neutralize the μ(3) acidity or basicity of the reactants. This μ(3)-neutralization is traced to the influence of electronegativity differences at heteroatomic contacts on the projected DOS curves of the atoms involved. The role of μ(3)-acid/base interactions in intermetallic phases is demonstrated through the examination of 23 binary phases forming between 3d metals, the stability range of the CsCl type, and structural trends within the Ti-Ni system.

  16. Brushing up on the history of intermetallics in dentistry

    NASA Astrophysics Data System (ADS)

    Waterstrat, Richard M.

    1990-03-01

    Employing a silver-tin-mercury intermetallic to repair cavities may seem a little unusual, but intermetallics are quite common in dentistry, ranging from gold crowns to braces. Although the human mouth can be unfriendly territory for a brittle intermetallic alloy, dental amalgam has been around since 659 A.D., and its technology has been developed to the point where a filling can be expected to last 30 years or more.

  17. Trace elements and the mechanical properties of intermetallic compounds

    SciTech Connect

    Lin, Hui; Pope, D.P.; George, E.P.

    1995-02-01

    In this paper the brittleness of grain boundaries in Ni{sub 3}Al is discussed with special emphasis on the effects of B. The effects of alloy stoichiometry, environment (hydrogen), grain boundary character and B levels are described and interpreted in terms of current theories. It is shown that the grain boundaries in Ni{sub 3}Al are intrinsically weaker than the bulk (the weakness is not an impurity effect), the weakness is exacerbated by atmospheric moisture, and that B in the boundaries both increases the intrinsic strength of the boundaries and reduces the deleterious effects of atmospheric moisture. Only low angle boundaries and twin boundaries are intrinsically strong in Ni{sub 3}Al, even in the absence of B.

  18. Addressing Machining Issues for the Intermetallic Compound 60-NITINOL

    NASA Technical Reports Server (NTRS)

    Stanford, Malcolm K.; Wozniak, Walter A.; McCue, Terry R.

    2012-01-01

    60-NITINOL (60 wt.% Ni - 40 wt.% Ti) is being studied as a material for advanced aerospace components. Frequent wire breakage during electrical-discharge machining of this material was investigated. The studied material was fabricated from hot isostatically pressed 60-NITINOL powder obtained through a commercial source. Bulk chemical analysis of the material showed that the composition was nominal but had relatively high levels of certain impurities, including Al and O. It was later determined that Al2O3 particles had contaminated the material during the hot isostatic pressing procedure and that these particles were the most likely cause of the wire breakage. The results of this investigation highlight the importance of material cleanliness to its further implementation.

  19. Prebiotic Synthesis of Methionine and Other Sulfur-Containing Organic Compounds on the Primitive Earth: A Contemporary Reassessment Based on an Unpublished 1958 Stanley Miller Experiment

    NASA Technical Reports Server (NTRS)

    Parker, Eric T.; Cleaves, H. James; Callahan, Michael P.; Dworkin, Jason P.; Glavin, Daniel P.; Lazcano, Antonio

    2010-01-01

    Original extracts from an unpublished 1958 experiment conducted by the late Stanley L. Miller were recently found and analyzed using modern state-of-the-art analytical methods. The extracts were produced by the action of an electric discharge on a mixture of methane (CH4), hydrogen sulfide (H2S), ammonia (NH3), and carbon dioxide (CO2). Racemic methionine was farmed in significant yields, together with other sulfur-bearing organic compounds. The formation of methionine and other compounds from a model prebiotic atmosphere that contained H2S suggests that this type of synthesis is robust under reducing conditions, which may have existed either in the global primitive atmosphere or in localized volcanic environments on the early Earth. The presence of a wide array of sulfur-containing organic compounds produced by the decomposition of methionine and cysteine indicates that in addition to abiotic synthetic processes, degradation of organic compounds on the primordial Earth could have been important in diversifying the inventory of molecules of biochemical significance not readily formed from other abiotic reactions, or derived from extraterrestrial delivery.

  20. Trigonal Cu2-II-Sn-VI4 (II = Ba, Sr and VI = S, Se) quaternary compounds for earth-abundant photovoltaics.

    PubMed

    Hong, Feng; Lin, Wenjun; Meng, Weiwei; Yan, Yanfa

    2016-02-14

    We propose trigonal Cu2-II-Sn-VI4 (II = Ba, Sr and VI = S, Se) quaternary compounds for earth-abundant solar cell applications. Through density functional theory calculations, we show that these compounds exhibit similar electronic and optical properties to kesterite Cu2ZnSnS4 (CZTS): high optical absorption with band gaps suitable for efficient single-junction solar cell applications. However, the trigonal Cu2-II-Sn-VI4 compounds exhibit defect properties more suitable for photovoltaic applications than those of CZTS. In CZTS, the dominant defects are the deep acceptors, Cu substitutions on Zn sites, which cause non-radiative recombination and limit the open-circuit voltages of CZTS solar cells. On the contrary, the dominant defects in trigonal Cu2-II-Sn-VI4 are the shallow acceptors, Cu vacancies, similar to those in CuInSe2. Our results suggest that the trigonal Cu2-II-Sn-VI4 quaternary compounds could be promising candidates for efficient earth-abundant thin-film solar cell and photoeletrochemical water-splitting applications. PMID:26804024

  1. High-Performance Pd3Pb Intermetallic Catalyst for Electrochemical Oxygen Reduction.

    PubMed

    Cui, Zhiming; Chen, Hao; Zhao, Mengtian; DiSalvo, Francis J

    2016-04-13

    Extensive efforts to develop highly active and strongly durable electrocatalyst for oxygen reduction are motivated by a need for metal-air batteries and fuel cells. Here, we report a very promising catalyst prototype of structurally ordered Pd-based alloys, Pd3Pb intermetallic compound. Such structurally ordered Pd3Pb/C exhibits a significant increase in mass activity. More importantly, compared to the conventional Pt/C catalysts, ordered Pd3Pb/C is highly durable and exhibits a much longer cycle life and higher cell efficiency in Zn-air batteries. Interestingly, ordered Pd3Pb/C possesses very high methanol tolerance during electrochemical oxygen reduction, which make it an excellent methanol-tolerant cathode catalyst for alkaline polymer electrolyte membrane fuel cells. This study provides a promising route to optimize the synthesis of ordered Pd-based intermetallic catalysts for fuel cells and metal-air batteries.

  2. High-Performance Pd3Pb Intermetallic Catalyst for Electrochemical Oxygen Reduction.

    PubMed

    Cui, Zhiming; Chen, Hao; Zhao, Mengtian; DiSalvo, Francis J

    2016-04-13

    Extensive efforts to develop highly active and strongly durable electrocatalyst for oxygen reduction are motivated by a need for metal-air batteries and fuel cells. Here, we report a very promising catalyst prototype of structurally ordered Pd-based alloys, Pd3Pb intermetallic compound. Such structurally ordered Pd3Pb/C exhibits a significant increase in mass activity. More importantly, compared to the conventional Pt/C catalysts, ordered Pd3Pb/C is highly durable and exhibits a much longer cycle life and higher cell efficiency in Zn-air batteries. Interestingly, ordered Pd3Pb/C possesses very high methanol tolerance during electrochemical oxygen reduction, which make it an excellent methanol-tolerant cathode catalyst for alkaline polymer electrolyte membrane fuel cells. This study provides a promising route to optimize the synthesis of ordered Pd-based intermetallic catalysts for fuel cells and metal-air batteries. PMID:26848634

  3. A reliability study on tin based lead free micro joint including intermetallic and void evolution

    NASA Astrophysics Data System (ADS)

    Feyissa, Frezer Assefa

    In microelectronics soldering to Cu pad lead to formation of two intermetallic structures in the solder -pad interface. The growth of these layers is accompanied by microscopic voids that usually cause reliability concern in the industry. Therefore it is important to understand factors that contribute for the growth of IMC using various combination of reflow time, Sn thickness and aging temperature. Systematic study was conducted on Cu-Sn system to investigate the formation and growth of intermetallic compound (IMC) as well as voiding evolution for different solder thicknesses. The growth of the Cu6Sn5 IMC layer was found to be increasing as the Sn thicknesses increase after reflow while the Cu3Sn layer were decreasing under same conditions. Also after reflow and aging more voiding were shown to occur in the thin solder than thicker one.

  4. Deformation-Induced Amorphization of Copper-Titanium Intermetallics

    NASA Astrophysics Data System (ADS)

    Askenazy, Philip Douglas

    Two methods of inducing amorphization in Cu-Ti intermetallic compounds by mechanical means have been investigated. Ingots of compositions Cu_{35}Ti _{65} and Cu_ {33.3}Ti_{66.7} were rapidly quenched into ribbons. The microstructure consisted largely of microcrystals in an amorphous matrix, which were either quenched in or grown by annealing. The ribbons were cold-rolled, which reduced their effective thickness by a factor of about 8. The status of the intermetallic compound CuTi_2 was monitored by x-ray diffraction and transmission electron microscopy (TEM). The crystals were found to amorphize as rolling progressed. This behavior was not reproduced in polycrystalline samples that had no amorphous matrix present initially. The presence of the amorphous phase is thus necessary for amorphization of the crystal: it eliminates the need to nucleate the new glass, and it prevents the ribbon from disintegrating at high deformation stages. It may also change the deformation mechanism that occurs in the crystals, retarding the onset of amorphization. Diffuse scattering in close-packed directions is similar to that seen in electron irradiation experiments. It is postulated that the chemical disorder present in antiphase boundaries caused by deformation raises the free energy of the crystal higher than that of the amorphous phase. Ingots of the same compound were worn against each other in a custom-built wear apparatus. The design eliminates iron contamination of the wear sample and requires relatively small quantities of material. Alteration of the surface structure was monitored by plane-view and cross -sectional TEM. Larger subsurface crystals exhibit diffuse scattering, similar to that found in the rolled samples. A wide range of grain sizes was observed, due to the inhomogeneous nature of the wear process. An unusual phase was observed at the surface, consisting of a nanometer-scale mixture of aligned nanocrystalline regions and disordered areas. Some amorphous phase is

  5. Magneto-structural correlations in rare-earth cobalt pnictides

    NASA Astrophysics Data System (ADS)

    Thompson, Corey Mitchell

    Magnetic materials are used in many applications such as credit cards, hard drives, electric motors, sensors, etc. Although a vast range of magnetic solids is available for these purposes, our ability to improve their efficiency and discover new materials remains paramount to the sustainable progress and economic profitability in many technological areas. The search for magnetic solids with improved performance requires fundamental understanding of correlations between the structural, electronic, and magnetic properties of existing materials, as well as active exploratory synthesis that targets the development of new magnets. Some of the strongest permanent magnets, Nd 2Fe14B, SmCo5, and Sm2Co17, combine transition and rare-earth metals, benefiting from the strong exchange between the 4f and 3d magnetic sublattices. Although these materials have been studied in great detail, the development of novel magnets requires thorough investigation of other 3d-4 f intermetallics, in order to gain further insights into correlations between their crystal structures and magnetic properties. Among many types of intermetallic materials, ternary pnictides RCo 2Pn2 (R = La, Ce, Pr, Nd; Pn = P, As) are of interest because, despite their simple crystal structures, they contain two magnetic sublattices, exchange interactions between which may lead to rich and unprecedented magnetic behavior. Nevertheless, magnetism of these materials was studied only to a limited extent, especially as compared to the extensive studies of their silicide and germanide analogues. The ThCr2Si2 structure type, to which these ternary pnictides belong, is one of the most ubiquitous atomic arrangements encountered among intermetallic compounds. It accounts for over 1000 known intermetallics and has received increased attention due to the recently discovered FeAs-based superconductors. This dissertation is devoted to the investigation of

  6. Evolution, Interaction, and Intrinsic Properties of Dislocations in Intermetallics: Anisotropic 3D Dislocation Dynamics Approach

    SciTech Connect

    Chen, Qian

    2008-01-01

    The generation, motion, and interaction of dislocations play key roles during the plastic deformation process of crystalline solids. 3D Dislocation Dynamics has been employed as a mesoscale simulation algorithm to investigate the collective and cooperative behavior of dislocations. Most current research on 3D Dislocation Dynamics is based on the solutions available in the framework of classical isotropic elasticity. However, due to some degree of elastic anisotropy in almost all crystalline solids, it is very necessary to extend 3D Dislocation Dynamics into anisotropic elasticity. In this study, first, the details of efficient and accurate incorporation of the fully anisotropic elasticity into 3D discrete Dislocation Dynamics by numerically evaluating the derivatives of Green's functions are described. Then the intrinsic properties of perfect dislocations, including their stability, their core properties and disassociation characteristics, in newly discovered rare earth-based intermetallics and in conventional intermetallics are investigated, within the framework of fully anisotropic elasticity supplemented with the atomistic information obtained from the ab initio calculations. Moreover, the evolution and interaction of dislocations in these intermetallics as well as the role of solute segregation are presented by utilizing fully anisotropic 3D dislocation dynamics. The results from this work clearly indicate the role and the importance of elastic anisotropy on the evolution of dislocation microstructures, the overall ductility and the hardening behavior in these systems.

  7. Magnetic, resonance, and optical properties of Cu3Sm (SeO3)2O2Cl : A rare-earth francisite compound

    NASA Astrophysics Data System (ADS)

    Zakharov, K. V.; Zvereva, E. A.; Markina, M. M.; Stratan, M. I.; Kuznetsova, E. S.; Dunaev, S. F.; Berdonosov, P. S.; Dolgikh, V. A.; Olenev, A. V.; Klimin, S. A.; Mazaev, L. S.; Kashchenko, M. A.; Ahmed, Md. A.; Banerjee, A.; Bandyopadhyay, S.; Iqbal, A.; Rahaman, B.; Saha-Dasgupta, T.; Vasiliev, A. N.

    2016-08-01

    In this combined experimental and theoretical paper, we study the properties of Cu3Sm (SeO3)2O2Cl belonging to the francisite family of compounds, which are novel frustrated layered compounds. Cu3Sm (SeO3)2O2Cl is synthesized through a solid state reaction. Characterizations through measurements of magnetization, specific heat, X-band electron spin resonance, and rare-earth optical spectroscopy, establish that the compound orders antiferromagnetically at TN=35 K and undergoes a spin-reorientation phase transition at TC=8.5 K due to the interplay of anisotropies in transition metal and rare-earth subsystems. The ground state Kramers doublet of Sm is found to split only at T

  8. Theory of low energy excitations in resonant inelastic x-ray scattering for rare-earth systems: Yb compounds as typical examples

    NASA Astrophysics Data System (ADS)

    Kotani, A.

    2011-04-01

    Theoretical predictions are given for low energy excitations, such as crystal field excitations and Kondo resonance excitations, to be detected by high-resolution measurements of resonant inelastic x-ray scattering (RIXS) of rare-earth materials with Yb compounds as typical examples. Crystal field excitations in the Yb 3d RIXS of a Yb3+ ion in the cubic crystal field are formulated, and the calculation of RIXS spectra for YbN is done. Kondo resonance excitations revealed in the Yb 3d RIXS spectra are calculated for mixed-valence Yb compounds, Yb1-xLuxAl3, in the leading term approximation of the 1/Nf expansion method with a single impurity Anderson model. It is emphasized that the high-resolution RIXS with polarization dependence is a powerful tool to study the crystal field levels together with their symmetry and also the Kondo bound state in rare-earth compounds. Some in-depth discussions are given on the polarization effects of RIXS, including 4d and 2p RIXS spectra, the coherence effect of the Kondo bound states, and the importance of the high-resolution RIXS spectra for condensed matter physics under extreme conditions.

  9. Intermetallics Characterization of Lead-Free Solder Joints under Isothermal Aging

    NASA Astrophysics Data System (ADS)

    Choubey, Anupam; Yu, Hao; Osterman, Michael; Pecht, Michael; Yun, Fu; Yonghong, Li; Ming, Xu

    2008-08-01

    Solder interconnect reliability is influenced by environmentally imposed loads, solder material properties, and the intermetallics formed within the solder and the metal surfaces to which the solder is bonded. Several lead-free metallurgies are being used for component terminal plating, board pad plating, and solder materials. These metallurgies react together and form intermetallic compounds (IMCs) that affect the metallurgical bond strength and the reliability of solder joint connections. This study evaluates the composition and extent of intermetallic growth in solder joints of ball grid array components for several printed circuit board pad finishes and solder materials. Intermetallic growth during solid state aging at 100°C and 125°C up to 1000 h for two solder alloys, Sn-3.5Ag and Sn-3.0Ag-0.5Cu, was investigated. For Sn-3.5Ag solder, the electroless nickel immersion gold (ENIG) pad finish was found to result in the lowest IMC thickness compared to immersion tin (ImSn), immersion silver (ImAg), and organic solderability preservative (OSP). Due to the brittle nature of the IMC, a lower IMC thickness is generally preferred for optimal solder joint reliability. A lower IMC thickness may make ENIG a desirable finish for long-life applications. Activation energies of IMC growth in solid-state aging were found to be 0.54 ± 0.1 eV for ENIG, 0.91 ± 0.12 eV for ImSn, and 1.03 ± 0.1 eV for ImAg. Cu3Sn and Cu6Sn5 IMCs were found between the solder and the copper pad on boards with the ImSn and ImAg pad finishes. Ternary (Cu,Ni)6Sn5 intermetallics were found for the ENIG pad finish on the board side. On the component side, a ternary IMC layer composed of Ni-Cu-Sn was found. Along with intermetallics, microvoids were observed at the interface between the copper pad and solder, which presents some concern if devices are subject to shock and vibration loading.

  10. Nonstoichiometry of Al-Zr intermetallic phases

    SciTech Connect

    Radmilovic, V.; Thomas, G.

    1994-06-01

    Nonstoichiometry of metastable cubic {beta}{prime} and equilibrium tetragonal {beta} Al-Zr intermetallic phases of the nominal composition Al{sub 3}Zr in Al-rich alloys has been extensively studied. It is proposed that the ``dark contrast`` of {beta}{prime} core in {beta}{prime}/{sigma}{prime} complex precipitates, in Al-Li-Zr based alloys, is caused by incorporation of Al and Li atoms into the {beta}{prime} phase on Zr sublattice sites, forming nonstoichiometric Al-Zr intermetallic phases, rather than by Li partitioning only. {beta}{prime} particles contain very small amounts of Zr, approximately 5 at.%, much less than the stoichiometric 25 at.% in the Al{sub 3}Zr metastable phase. These particles are, according to simulation of high resolution images, of the Al{sub 3}(Al{sub 0.4}Li{sub 0.4}Zr{sub 0.2}) type. Nonstoichiometric particles of average composition Al{sub 4}Zr and Al{sub 6}Zr are observed also in the binary Al-Zr alloy, even after annealing for several hours at 600{degree}C.

  11. Synthesis and densification of Ni{sub 3}(Si, Ti) intermetallics by hot isostatic pressing

    SciTech Connect

    Van Dyck, S.; Delaey, L.; Froyen, L.; Buekenhout, L.

    1996-12-31

    The production of complex parts from Ni{sub 3}(Si, Ti) intermetallic materials by reactive powder metallurgy offers significant advantages over more conventional processing techniques. The main problem associated with reactive powder metallurgy is controlling the exothermic reaction accompanying the synthesis of the intermetallic compound. The uncontrolled release of heat during the conversion of the reactants into nickel silicide leads to unacceptable deformation and melting of the part. The thermal evolution of a part during reactive synthesis of the intermetallic phase is described based on kinetic and heat transfer equations, giving the temperature and phase change as a function of the applied temperature cycle and the mass and size of the part under consideration. From this model, methods for controlling the exothermic reaction during synthesis are derived. When preparing nickel silicides by reactive powder metallurgy, the application of external pressure is required to eliminate porosity and to obtain good mechanical properties. The properties of materials produced by hot isostatic pressing, with different methods of reaction control, are compared to materials prepared from prealloyed powders. It is shown that by reactive HIP, materials can be obtained with a fracture strength exceeding 2,000 MPa.

  12. Zintl and intermetallic phases grown from calcium/lithium flux

    NASA Astrophysics Data System (ADS)

    Blankenship, Trevor

    Metal flux synthes is a useful alternative method to high temperature solid state synthesis; it allows easy diffusion of reactants at lower temperatures, and presents favorable conditions for crystal growth. A mixed flux of calcium and lithium in a 1:1 ratio was explored in this work; this mixture melts at 300°C and is an excellent solvent for main group elements and CaH 2. Reactions of p-block elements in a 1:1 Ca/Li flux have produced several new intermetallic and Zintl phases. Electronegative elements from groups 14 and 15 are reduced to anions in this flux, yielding charge-balanced products. More electropositive metals from group 13 are not fully reduced; the resulting products are complex intermetallics. The reactions of tin or lead and carbon in Ca/Li flux produced the analogous phases Ca11Tt3C8 (Tt = Sn, Pb) in the monoclinic C21/c space group (a = 13.2117(8) A, b =10.7029(7) A, c = 14.2493(9) A, beta = 105.650(1)° for the Sn analog). These compounds are carbide Zintl phases that includes the rare combination of C3 4- and C22- units as well as Sn4- or Pb4- anions. Ca/Li flux reactions of CaH2 and arsenic have produced the Zintl phases LiCa3As 2H in orthorhombic Pnma (a = 11.4064(7), b = 4.2702(3), c = 11.8762(8) A), and Ca 13As6C0.46N1.155H6.045in tetragonal P4/mbm (a = 15.7493(15), c = 9.1062(9) A). The complex stoichiometry of the latter phase was caused by incorporation of light element contaminants and was studied by neutron diffraction, showing mixing of anionic sites to achieve charge balance. Ca/Li flux reactions with group 13 metals have resulted in several new intermetallic phases. Reactions of indium and CaH2 in the Ca/Li flux (with or without boron) formed Ca53In13B4-x H23+x(2.4 < x < 4.0) in cubic space group Im-3 (a = 16.3608(6) A) which features metallic indium atoms and ionic hydride sites. The electronic properties of this "subhydride" were confirmed by 1H and 115In NMR spectroscopy. Attempts to replace boron with carbon yielded Ca12InC13-x

  13. Effects of cerium substitution on magnetic properties of naturally layered TbMn6Sn6 compound

    NASA Astrophysics Data System (ADS)

    Chen, X. X.; Zhao, M.; Liu, G. Z.; Yao, J. L.; Gao, J.

    2016-04-01

    The Tb1-xCexMn6Sn6 compounds with x = 0 - 0.3 crystallize in the hexagonal HfFe6Ge6-type structure (space group P6/mmm). The cerium (Ce) substitution for Tb increases the magnetization while reduces the Curie and spin-orientation temperatures. The hard magnetic properties are enhanced by the Ce substitution, e.g., from a coercivity of ˜ 5.4 kOe for TbMn6Sn6 to ˜ 7.6 kOe for the Ce-substituted compounds with x = 0.2 at 5 K. The role of Ce substitution in the magnetocrystalline anisotropy is discussed based on the single-ion anisotropy model. The substitution of Ce for critical rare-earth atoms provides an opportunity of improving hard magnetic properties of the rare-earth-based intermetallics.

  14. Inelastic neutron scattering in valence fluctuation compounds

    SciTech Connect

    Jon M Lawrence

    2011-02-15

    The valence fluctuation compounds are rare earth intermetallics where hybridization of the nearly-localized 4f electrons with the conduction electrons leads to incorporation of the 4f's into the itinerant states. This hybridization slows down the conduction electrons and hence gives them a heavy effective mass, justifying application of the term 'heavy Fermion' (HF) to these materials. During the project period, we grew large single crystals of several such compounds and measured their properties using both standard thermodynamic probes and state-of-the-art inelastic neutron scattering. We obtained three main results. For the intermediate valence compounds CePd{sub 3} and YbAl{sub 3}, we showed that the scattering of neutrons by the fluctuations of the 4f magnetic moment does not have the momentum dependence expected for the itinerant heavy mass state; rather, the scattering is more typical of a localized spin fluctuation. We believe that incoherent scattering localizes the excitation. For the heavy Fermion compound Ce(Ni{sub 0.935}Pd{sub 0.065}){sub 2}Ge{sub 2}, which sits at a T = 0 critical point for transformation into an antiferromagnetic (AF) phase, we showed that the scattering from the AF fluctuations does not exhibit any of the divergences that are expected at a phase transition. We speculate that alloy disorder profoundly suppresses the growth of the fluctuating AF regions, leading to short range clusters rather than regions of infinite size. Finally, we explored the applicability of key concepts used to describe the behavior of rare earth heavy Fermions to uranium based HF compounds where the 5f electrons are itinerant as opposed to localized. We found that scaling laws relating the spin fluctuation energy measured in neutron scattering to the low temperature specific heat and susceptibility are valid for the uranium compounds, once corrections are made for AF fluctuations; however, the degeneracy of the high temperature moment is smaller than expected

  15. Titanium aluminide intermetallic alloys with improved wear resistance

    DOEpatents

    Qu, Jun; Lin, Hua-Tay; Blau, Peter J.; Sikka, Vinod K.

    2014-07-08

    The invention is directed to a method for producing a titanium aluminide intermetallic alloy composition having an improved wear resistance, the method comprising heating a titanium aluminide intermetallic alloy material in an oxygen-containing environment at a temperature and for a time sufficient to produce a top oxide layer and underlying oxygen-diffused layer, followed by removal of the top oxide layer such that the oxygen-diffused layer is exposed. The invention is also directed to the resulting oxygen-diffused titanium aluminide intermetallic alloy, as well as mechanical components or devices containing the improved alloy composition.

  16. A ship-in-a-bottle strategy to synthesize encapsulated intermetallic nanoparticle catalysts: Exemplified for furfural hydrogenation

    DOE PAGESBeta

    Maligal-Ganesh, Raghu V.; Xiao, Chaoxian; Goh, Tian Wei; Wang, Lin -Lin; Gustafson, Jeffrey; Pei, Yuchen; Qi, Zhiyuan; Johnson, Duane D.; Zhang, Shiran; Tao, Franklin; et al

    2016-01-28

    In this paper, intermetallic compounds are garnering increasing attention as efficient catalysts for improved selectivity in chemical processes. Here, using a ship-in-a-bottle strategy, we synthesize single-phase platinum-based intermetallic nanoparticles (NPs) protected by a mesoporous silica (mSiO2) shell by heterogeneous reduction and nucleation of Sn, Pb, or Zn in mSiO2-encapsulated Pt NPs. For selective hydrogenation of furfural to furfuryl alcohol, a dramatic increase in activity and selectivity is observed when intermetallic NPs catalysts are used in comparison to Pt@mSiO2. Among the intermetallic NPs, PtSn@mSiO2 exhibits the best performance, requiring only one-tenth of the quantity of Pt used in Pt@mSiO2 for similarmore » activity and near 100% selectivity to furfuryl alcohol. A high-temperature oxidation–reduction treatment easily reverses any carbon deposition-induced catalyst deactivation. X-ray photoelectron spectroscopy shows the importance of surface composition to the activity, whereas density functional theory calculations reveal that the enhanced selectivity on PtSn compared to Pt is due to the different furfural adsorption configurations on the two surfaces.« less

  17. Syntheses and characterization of energetic compounds constructed from alkaline earth metal cations (Sr and Ba) and 1,2-bis(tetrazol-5-yl)ethane

    SciTech Connect

    Xia Zhengqiang; Chen Sanping; Wei Qing; Qiao Chengfang

    2011-07-15

    Two new energetic compounds, [M(BTE)(H{sub 2}O){sub 5}]{sub n} (M=Sr(1), Ba(2)) [H{sub 2}BTE=1,2-bis(tetrazol-5-yl)ethane], have been hydrothermally synthesized and structurally characterized. Single-crystal X-ray diffraction analyses reveal that they are isomorphous and exhibit 2D (4,4) net framework, generated by 4-connected Sr{sub 2}(H{sub 2}O){sub 10}/Ba{sub 2}(H{sub 2}O){sub 10} SBUs linked up by two independent binding modes of H{sub 2}BTE, and the resulting 2D structure is interconnected by hydrogen-bond and strong face to face {pi}-{pi} stacking interactions between two tetrazole rings to lead to a 3D supramolecular architecture. DSC measurements show that they have significant catalytic effects on thermal decomposition of ammonium perchlorate. Moreover, the photoluminescence properties, thermogravimetric analyses, and flame colors of the as-prepared compounds are also investigated in this paper. - Graphical abstract: Two novel 2D isomorphous alkaline earth metal complexes were assembled by 4-connected Sr{sub 2}(H{sub 2}O){sub 10}/Ba{sub 2}(H{sub 2}O){sub 10} SBUs and two independent binding modes of H{sub 2}BTE ligands, and the catalytic performances toward thermal decomposition of ammonium perchlorate and photoluminescent properties of them were investigated. Highlights: > Two novel alkaline earth energetic coordination polymers have been prepared.{yields} Both structures are layered based on 4-connected Sr{sub 2}(H{sub 2}O){sub 10}/Ba{sub 2}(H{sub 2}O){sub 10} SBUs and two distinct H{sub 2}BTE coordination modes.{yields} The dehydrated products of the compounds possess good thermostability and significant catalytic effects on thermal decomposition of AP.

  18. Theoretical and experimental study of high-magnetic-field XMCD spectra at the L2,3 absorption edges of mixed-valence rare-earth compounds

    NASA Astrophysics Data System (ADS)

    Kotani, Akio; Matsuda, Yasuhiro H.; Nojiri, Hiroyuki

    2009-11-01

    X-ray magnetic circular dichroism(XMCD) spectra at the L2,3 edges of mixed-valence rare-earth compounds in high magnetic fields are studied both theoretically and experimentally. The theoretical study is based on a new framework proposed recently by Kotani. The Zeeman splitting of 4f states, the mixed-valence character of 4f states, and the 4f-5d exchange interaction are incorporated into a single impurity Anderson model. New XMCD experiments in high magnetic fields up to 40 T are carried out for the mixed-valence compounds EuNi2(Si0.18Ge0.82)2 and YbInCu4 by using a miniature pulsed magnet, which was developed recently by Matsuda et al. The XMCD data are taken at 5 K by transmission measurements for incident X-rays with ± helicities at BL39XU in SPring-8. After giving a survey on recent developments in the theory of XMCD spectra for mixed-valence Ce and Yb compounds, we calculate the XMCD spectra of YbInCu4 at the field-induced valence transition around 32 T by applying the recent theoretical framework and by newly introducing at 32 T a discontinuous change in the Yb 4f level and that in the hybridization strength between the Yb 4f and conduction electrons. The calculated results are compared with the experimental ones.

  19. Modeling of Substitutional Site Preference in Ordered Intermetallic Alloys

    NASA Technical Reports Server (NTRS)

    Bozzolo, Guillermo; Noebe, Ronald D.; Honecy, Frank

    1998-01-01

    We investigate the site substitution scheme of specific alloying elements in ordered compounds and the dependence of site occupancy on compound stoichiometry, alloy concentration. This basic knowledge, and the interactions with other alloying additions are necessary in order to predict and understand the effect of various alloying schemes on the physical properties of a material, its response to various temperature treatments, and the resulting mechanical properties. Many theoretical methods can provide useful but limited insight in this area, since most techniques suffer from constraints in the type of elements and the crystallographic structures that can be modeled. With this in mind, the Bozzolo-Ferrante-Smith (BFS) method for alloys was designed to overcome these limitations, with the intent of providing an useful tool for the theoretical prediction of fundamental properties and structure of complex systems. After a brief description of the BFS method, its use for the determination of site substitution schemes for individual as well as collective alloying additions to intermetallic systems is described, including results for the concentration dependence of the lattice parameter. Focusing on B2 NiAl, FeAl and CoAl alloys, the energetics of Si, Ti, V, Cr, Fe, Co, Ni, Cu, Zr, Nb, Mo, Ru, Hf, Ta and W alloying additions are surveyed. The effect of single additions as well as the result of two simultaneous additions, discussing the interaction between additions and their influence on site preference schemes is considered. Finally, the BFS analysis is extended to ternary L1(sub 2) (Heusler phase) alloys. A comparison between experimental and theoretical results for the limited number of cases for which experimental data is available is also included.

  20. Electronically- and crystal-structure-driven magnetic structures and physical properties of RScSb (R = rare earth) compounds. A neutron diffraction, magnetization and heat capacity study

    SciTech Connect

    Ritter, C; Dhar, S K; Kulkarni, R; Provino, A; Paudyal, Durga; Manfrinetti, Pietro; Gschneidner, Karl A

    2014-08-14

    The synthesis of the new equiatomic RScSb ( R = La-Nd, Sm, Gd-Tm, Lu, Y) compounds has been recently reported. These rare earth compounds crystallize in two different crystal structures, adopting the CeScSi-type ( I 4/ mmm) for the lighter R (La-Nd, Sm) and the CeFeSi-type (P4 /nmm) structure for the heavier R ( R = Gd-Tm, Lu, Y). Here we report the results of neutron diffraction, magnetization and heat capacity measurements on some of these compounds ( R = Ce, Pr, Nd, Gd and Tb). Band structure calculations have also been performed on CeScSb and GdScGe (CeScSi-type), and on GdScSb and TbScSb (CeFeSi-type) to compare and understand the exchange interactions in CeScSi and CeFeSi structure types. The neutron diffraction investigation shows that all five compounds order magnetically, with the highest transition temperature of 66 K in TbScSb and the lowest of about 9 K in CeScSb. The magnetic ground state is simple ferromagnetic (τ = [0 0 0]) in CeScSb, as well in NdScSb for 32 >T > 22 K. Below 22 K a second magnetic transition, with propagation vector τ = [¼ ¼ 0], appears in NdScSb. PrScSb has a magnetic structure within, determined by mostly ferromagnetic interactions and antiferromagnetic alignment of the Pr-sites connected through the I-centering ( τ = [1 0 0]). A cycloidal spiral structure with a temperature dependent propagation vector τ = [δ δ ½] is found in TbScSb. The results of magnetization and heat capacity lend support to the main conclusions derived from neutron diffraction. As inferred from a sharp peak in magnetization, GdScSb orders antiferromagnetically at 56 K. First principles calculations show lateral shift of spin split bands towards lower energy from the Fermi level as the CeScSi-type structure changes to the CeFeSi-type structure. This rigid shift may force the system to transform from exchange split ferromagnetic state to the antiferromagnetic state in RScSb compounds (as seen for example in GdScSb and TbScSb) and is proposed to

  1. Marine and terrestrial sources of reactive volatile organic compounds and their impact on the tropospheric ozone chemistry of the earth

    NASA Astrophysics Data System (ADS)

    Riemer, Daniel David

    Two areas integral to the global cycle of tropospheric ozone were studied. The first segment of this investigation involved the study of marine ecosystems to define the sources of nonmethane hydrocarbons (NMHCs) in the surface ocean. This included laboratory and field investigations conducted to determine the function and importance of dissolved organic matter (DOM) in the abiotic photochemical production of nonmethane hydrocarbons (NMHCs) in surface seawater. Concurrently, phytoplankton were investigated as a biogenic source of NMHCs in the surface ocean. Low molecular weight alkenes, compounds observed in the greatest quantities in the surface ocean, are formed almost exclusively as a result of DOM-mediated photochemistry. Isoprene was found to be produced by all phytoplankton species investigated. The primary sink for NMHCs found in surface seawater was gas exchange. The second segment of this study focused on the prevalence of NMHCs and oxygenated volatile organic compounds (OVOCs) in the rural southeastern United States. To characterize the importance of NMHCs and OVOCs to the process of atmospheric reactivity and tropospheric ozone chemistry, mixing ratios for a number of NMHCs and OVOCs were determined. Isoprene and its primary oxidation products, methacrolein and methyl vinyl ketone, were observed to be the dominant hydroxyl radical (OH) sink in the rural atmosphere. Certain OVOCs, namely methanol, acetone and acetaldehyde-although not as important on a reactivity basis-were the most prevalent in terms of mass. Methanol was the dominant OVOC measured in the rural atmosphere and serves as an important source of formaldehyde in the rural atmosphere. On the basis of the mixing ratio patterns exhibited by many of the OVOCs present in the rural atmosphere, considerable biogenic sources are likely.

  2. SCB ignition of pyrotechnics, thermites and intermetallics

    SciTech Connect

    Bickes, R.W. Jr.; Grubelich, M.C.

    1996-09-01

    We investigated ignition of pyrotechnics, metal-fuel/metal-oxide compositions (thermites), and exothermic alloy compositions (intermetallics) using a semiconductor bridge (SCB). It was shown that these materials could be ignited at low energy levels with an appropriately designed SCB, proper loading density, and good thermal isolation. Materials tested included Al/CuO, B/BaCrO{sub 4}, TiH{sub 1.65}/KClO{sub 4}, Ti/KClO{sub 4}, Zr/BaCrO{sub 4}, Zr/CuO, Zr/Fe{sub 2}O{sub 3}, Zr/KClO{sub 4}, and 100-mesh Al/Pd. Firing set was a capacitor discharge unit with charge capacitors ranging from 3 to 20,000 {mu}F at charge voltages 5-50 V. Devices functioned a few miliseconds after onset of current pulse at input energies as low as 3 mJ. We also report on a thermite torch design.

  3. High temperature intermetallic binders for HVOF carbides

    SciTech Connect

    Shaw, K.G.; Gruninger, M.F.; Jarosinski, W.J.

    1994-12-31

    Gas turbines technology has a long history of employing the desirable high temperature physical attributes of ceramic-metallic (cermet) materials. The most commonly used coatings incorporate combinations of WC-Co and Cr{sub 3}C{sub 2}-NiCr, which have also been successfully utilized in other non-turbine coating applications. Increased turbine operating temperatures and other high temperature service conditions have made apparent the attractive notion of increasing the temperature capability and corrosion resistance of these coatings. In this study the intermetallic binder NiAl has been used to replace the cobalt and NiCr constituents of conventional WC and Cr{sub 3}C{sub 2} cermet powders. The composite carbide thermal spray powders were fabricated for use in the HVOF coating process. The structure of HVOF deposited NiAl-carbide coatings are compared directly to the more familiar WC-Co and Cr{sub 3}C{sub 2}-NiCr coatings using X-ray diffraction, back-scattered electron imaging (BEI) and electron dispersive spectroscopy (EDS). Hardness variations with temperature are reported and compared between the NiAl and Co/NiCr binders.

  4. Thermal stress effects in intermetallic matrix composites

    NASA Technical Reports Server (NTRS)

    Wright, P. K.; Sensmeier, M. D.; Kupperman, D. S.; Wadley, H. N. G.

    1993-01-01

    Intermetallic matrix composites develop residual stresses from the large thermal expansion mismatch (delta-alpha) between the fibers and matrix. This work was undertaken to: establish improved techniques to measure these thermal stresses in IMC's; determine residual stresses in a variety of IMC systems by experiments and modeling; and, determine the effect of residual stresses on selected mechanical properties of an IMC. X ray diffraction (XRD), neutron diffraction (ND), synchrotron XRD (SXRD), and ultrasonics (US) techniques for measuring thermal stresses in IMC were examined and ND was selected as the most promising technique. ND was demonstrated on a variety of IMC systems encompassing Ti- and Ni-base matrices, SiC, W, and Al2O3 fibers, and different fiber fractions (Vf). Experimental results on these systems agreed with predictions of a concentric cylinder model. In SiC/Ti-base systems, little yielding was found and stresses were controlled primarily by delta-alpha and Vf. In Ni-base matrix systems, yield strength of the matrix and Vf controlled stress levels. The longitudinal residual stresses in SCS-6/Ti-24Al-llNb composite were modified by thermomechanical processing. Increasing residual stress decreased ultimate tensile strength in agreement with model predictions. Fiber pushout strength showed an unexpected inverse correlation with residual stress. In-plane shear yield strength showed no dependence on residual stress. Higher levels of residual tension led to higher fatigue crack growth rates, as suggested by matrix mean stress effects.

  5. Ground state searches in fcc intermetallics

    SciTech Connect

    Wolverton, C.; de Fontaine, D. ); Ceder, G. ); Dreysse, H. . Lab. de Physique du Solide)

    1991-12-01

    A cluster expansion is used to predict the fcc ground states, i.e., the stable phases at zero Kelvin as a function of composition, for alloy systems. The intermetallic structures are not assumed, but derived regorously by minimizing the configurational energy subject to linear constraints. This ground state search includes pair and multiplet interactions which spatially extend to fourth nearest neighbor. A large number of these concentration-independent interactions are computed by the method of direct configurational averaging using a linearized-muffin-tin orbital Hamiltonian cast into tight binding form (TB-LMTO). The interactions, derived without the use of any adjustable or experimentally obtained parameters, are compared to those calculated via the generalized perturbation method extention of the coherent potential approximation within the context of a KKR Hamiltonian (KKR-CPA-GPM). Agreement with the KKR-CPA-GPM results is quite excellent, as is the comparison of the ground state results with the fcc-based portions of the experimentally-determined phase diagrams under consideration.

  6. Thermal stress effects in intermetallic matrix composites

    NASA Astrophysics Data System (ADS)

    Wright, P. K.; Sensmeier, M. D.; Kupperman, D. S.; Wadley, H. N. G.

    1993-09-01

    Intermetallic matrix composites develop residual stresses from the large thermal expansion mismatch (delta-alpha) between the fibers and matrix. This work was undertaken to: establish improved techniques to measure these thermal stresses in IMC's; determine residual stresses in a variety of IMC systems by experiments and modeling; and, determine the effect of residual stresses on selected mechanical properties of an IMC. X ray diffraction (XRD), neutron diffraction (ND), synchrotron XRD (SXRD), and ultrasonics (US) techniques for measuring thermal stresses in IMC were examined and ND was selected as the most promising technique. ND was demonstrated on a variety of IMC systems encompassing Ti- and Ni-base matrices, SiC, W, and Al2O3 fibers, and different fiber fractions (Vf). Experimental results on these systems agreed with predictions of a concentric cylinder model. In SiC/Ti-base systems, little yielding was found and stresses were controlled primarily by delta-alpha and Vf. In Ni-base matrix systems, yield strength of the matrix and Vf controlled stress levels. The longitudinal residual stresses in SCS-6/Ti-24Al-llNb composite were modified by thermomechanical processing. Increasing residual stress decreased ultimate tensile strength in agreement with model predictions. Fiber pushout strength showed an unexpected inverse correlation with residual stress. In-plane shear yield strength showed no dependence on residual stress. Higher levels of residual tension led to higher fatigue crack growth rates, as suggested by matrix mean stress effects.

  7. Photochemical studies in low Earth orbit for organic compounds related to small bodies, Titan and Mars. Current and future facilities.

    NASA Astrophysics Data System (ADS)

    Cottin, H.; Saiagh, K.; Nguyen, D.; Grand, N.; Bénilan, Y.; Cloix, M.; Coll, P.; Gazaux, M.-C.; Fray, N.; Khalaf, D.; Raulin, F.; Stalort, F.; Carrasco, N.; Szopa, C.; Chaput, D.; Bertrand, M.; Westall, F.; Mattioda, A.; Quinn, R.; Ricco, A.; Santos, O.; Baratta, G. A.; Strazzulla, G.; Palumbo, M. E.; Le Postollec, A.; Dobrijevic, M.; Coussot, G.; Vigier, F.; Vandenabeele-Trambouze, O.; Incerti, S.; Berger, T.

    2015-01-01

    The study of the evolution of organic matter subjected to space conditions, and more specifically to solar photons in the vacuum ultraviolet range (120-200 nm) has been undertaken in low Earth Orbit since the 90's, and implemented on various space platforms. The most recent exposure facilities are BIOPAN outside the Russian automatic capsules FOTON, and EXPOSE-E & -R (1&2) outside the International Space Station. They allow the photolysis of many different samples simultaneously, and provide us with valuable data about the formation and evolution of organic matter in the Solar System (meteorites, comets, Titan's atmosphere, the Martian surface...) and in the Interstellar Medium. They have been used by European teams in the recent past(ORGANIC on BIOPAN V-FOTON M2 and UVolution on BIOPAN VI-FOTON M3, PROCESS on EXPOSE-E, AMINO and ORGANICS on EXPOSE-R), and a new EXPOSE set is currently exposed outside the ISS (PSS on EXPOSE-R2). These existing tools are very valuable; however, they have significant limitations that limit their capabilities and scientific return. One of the most critical issues for current studies is the lack of any in-situ analysis of the evolution of the samples as a function of time. Only two measurements are available for the experiment: one before and one after the exposure. A significant step forward has been achieved with the O/OREOS NASA nanosatellite and the OREOcube ESA project with onboard UV-visible measurements. However, for organic samples, following the evolution of the samples would be more informative and provide greater insight with infrared measurements, which display specific patterns characteristic of major organic functionalities in the mid-infrared range (4000-1000 cm-1).

  8. Multiconfigurational nature of 5f orbitals in uranium and plutonium intermetallics

    PubMed Central

    Booth, C.H.; Jiang, Yu; Wang, D.L.; Mitchell, J.N.; Tobash, P.H.; Bauer, E.D.; Wall, M.A.; Allen, P.G.; Sokaras, D.; Nordlund, D.; Weng, T.-C.; Torrez, M.A.; Sarrao, J.L.

    2012-01-01

    Uranium and plutonium’s 5f electrons are tenuously poised between strongly bonding with ligand spd-states and residing close to the nucleus. The unusual properties of these elements and their compounds (e.g., the six different allotropes of elemental plutonium) are widely believed to depend on the related attributes of f-orbital occupancy and delocalization for which a quantitative measure is lacking. By employing resonant X-ray emission spectroscopy (RXES) and X-ray absorption near-edge structure (XANES) spectroscopy and making comparisons to specific heat measurements, we demonstrate the presence of multiconfigurational f-orbital states in the actinide elements U and Pu and in a wide range of uranium and plutonium intermetallic compounds. These results provide a robust experimental basis for a new framework toward understanding the strongly-correlated behavior of actinide materials. PMID:22706643

  9. Intermetallic alloy welding wires and method for fabricating the same

    DOEpatents

    Santella, Michael L.; Sikka, Vinod K.

    1996-01-01

    Welding wires for welding together intermetallic alloys of nickel aluminides, nickel-iron aluminides, iron aluminides, or titanium aluminides, and preferably including additional alloying constituents are fabricated as two-component, clad structures in which one component contains the primary alloying constituent(s) except for aluminum and the other component contains the aluminum constituent. This two-component approach for fabricating the welding wire overcomes the difficulties associated with mechanically forming welding wires from intermetallic alloys which possess high strength and limited ductilities at elevated temperatures normally employed in conventional metal working processes. The composition of the clad welding wires is readily tailored so that the welding wire composition when melted will form an alloy defined by the weld deposit which substantially corresponds to the composition of the intermetallic alloy being joined.

  10. Intermetallic alloy welding wires and method for fabricating the same

    DOEpatents

    Santella, M.L.; Sikka, V.K.

    1996-06-11

    Welding wires for welding together intermetallic alloys of nickel aluminides, nickel-iron aluminides, iron aluminides, or titanium aluminides, and preferably including additional alloying constituents are fabricated as two-component, clad structures in which one component contains the primary alloying constituent(s) except for aluminum and the other component contains the aluminum constituent. This two-component approach for fabricating the welding wire overcomes the difficulties associated with mechanically forming welding wires from intermetallic alloys which possess high strength and limited ductilities at elevated temperatures normally employed in conventional metal working processes. The composition of the clad welding wires is readily tailored so that the welding wire composition when melted will form an alloy defined by the weld deposit which substantially corresponds to the composition of the intermetallic alloy being joined. 4 figs.

  11. Up-and-coming IMCs. [Intermetallic-Matrix Composites

    NASA Technical Reports Server (NTRS)

    Bowman, Randy; Noebe, Ronald

    1989-01-01

    While the good oxidation and environmental resistance, high melting points, and comparatively low densities of such ordered intermetallics as Ti3Al, NiAl, FeAl, and NbAl3 render them good candidates for advanced aerospace structures, their poor toughness at low temperatures and low strength at elevated temperatures have prompted the development of fiber-reinforced intermetallic-matrix composites (IMCs) with more balanced characteristics. Fabrication methods for continuous-fiber IMCs under development include the P/M 'powder cloth' method, the foil/fiber method, and thermal spraying. The ultimate success of IMCs depends on fibers truly compatible with the matrix materials.

  12. Nanocrystalline semiconductor doped rare earth oxide for the photocatalytic degradation studies on Acid Blue 113: A di-azo compound under UV slurry photoreactor.

    PubMed

    Suganya Josephine, G A; Mary Nisha, U; Meenakshi, G; Sivasamy, A

    2015-11-01

    Preventive measures for the control of environmental pollution and its remediation has received much interest in recent years due to the world-wide increase in the contamination of water bodies. Contributions of these harmful effluents are caused by the leather processing, pharmaceutical, cosmetic, textile, agricultural and other chemical industries. Nowadays, advanced oxidation processes considered to be better option for the complete destruction of organic contaminants in water and wastewater. Acid Blue 113 is a most widely used di-azo compound in leather, textile, dying and food industry as a color rending compound. In the present study, we have reported the photo catalytic degradation of Acid Blue 113 using a nanocrystalline semiconductor doped rare earth oxide as a photo catalyst under UV light irradiation. The photocatalyst was prepared by a simple precipitation technique and were characterized by XRD, FT-IR, UV-DRS and FE-SEM analysis. The experimental results proved that the prepared photo catalyst was nanocrystalline and highly active in the UV region. The UV-DRS results showed the band gap energy was 3.15eV for the prepared photo catalyst. The photodegradation efficiency was analyzed by various experimental parameters such as pH, catalyst dosage, variation of substrate concentration and effect of electrolyte addition. The photo degradation process followed a pseudo first order kinetics and was continuously monitored by UV-visible spectrophotometer. The experimental results proved the efficacy of the nanocrystalline zinc oxide doped dysprosium oxide which are highly active under UV light irradiations. It is also suggested that the prepared material would find wider applications in environmental remediation technologies to remove the carcinogenic and toxic moieties present in the industrial effluents.

  13. Nanocrystalline semiconductor doped rare earth oxide for the photocatalytic degradation studies on Acid Blue 113: A di-azo compound under UV slurry photoreactor.

    PubMed

    Suganya Josephine, G A; Mary Nisha, U; Meenakshi, G; Sivasamy, A

    2015-11-01

    Preventive measures for the control of environmental pollution and its remediation has received much interest in recent years due to the world-wide increase in the contamination of water bodies. Contributions of these harmful effluents are caused by the leather processing, pharmaceutical, cosmetic, textile, agricultural and other chemical industries. Nowadays, advanced oxidation processes considered to be better option for the complete destruction of organic contaminants in water and wastewater. Acid Blue 113 is a most widely used di-azo compound in leather, textile, dying and food industry as a color rending compound. In the present study, we have reported the photo catalytic degradation of Acid Blue 113 using a nanocrystalline semiconductor doped rare earth oxide as a photo catalyst under UV light irradiation. The photocatalyst was prepared by a simple precipitation technique and were characterized by XRD, FT-IR, UV-DRS and FE-SEM analysis. The experimental results proved that the prepared photo catalyst was nanocrystalline and highly active in the UV region. The UV-DRS results showed the band gap energy was 3.15eV for the prepared photo catalyst. The photodegradation efficiency was analyzed by various experimental parameters such as pH, catalyst dosage, variation of substrate concentration and effect of electrolyte addition. The photo degradation process followed a pseudo first order kinetics and was continuously monitored by UV-visible spectrophotometer. The experimental results proved the efficacy of the nanocrystalline zinc oxide doped dysprosium oxide which are highly active under UV light irradiations. It is also suggested that the prepared material would find wider applications in environmental remediation technologies to remove the carcinogenic and toxic moieties present in the industrial effluents. PMID:26025644

  14. Ab initio investigation of the electronic, lattice dynamic and thermodynamic properties of ScCd intermetallic alloy

    NASA Astrophysics Data System (ADS)

    Adetunji, B. I.; Olayinka, A. S.; Fashae, J. B.; Ozebo, V. C.

    2016-08-01

    The electronic structures, lattice dynamics and thermodynamic properties of rare-earth intermetallic ScCd alloy are studied by the first-principles plane-wave pseudopotential method within the generalized gradient approximation in the framework of density functional pertubation theory. The band structure, density of states, phonon dispersion frequencies, vibrational free energy Fvib, specific heat capacity CV and entropy are studied between 0 K and 1500 K. Finally, using the calculated phonon density of states, the thermodynamic properties are determined within the quasi-harmonic approximation and a value of 47.9 (J/molṡK) at 300 K for specific heat capacity of ScCd is predicted.

  15. Observations of a dynamical-to-kinematic diffraction transition in plastically deformed polycrystalline intermetallic YCu

    SciTech Connect

    Williams, Scott H.; Brown, Donald W.; Clausen, Bjorn; Russell, Alan; Gschneidner Jr., Karl A.

    2014-03-01

    Unlike most intermetallic compounds, polycrystalline YCu, a B2 (CsCl-type) intermetallic, is ductile at room temperature. The mechanisms for this behavior are not fully understood. In situ neutron diffraction was used to investigate whether a stress-induced phase transformation or twinning contribute to the ductility; however, neither mechanism was found to be active in YCu. Surprisingly, this study revealed that the intensities of the diffraction peaks increased after plastic deformation. It is thought that annealing the samples created nearly perfect crystallinity, and subsequent deformation reduced this high degree of lattice coherency, resulting in a modified mosaic structure that decreased or eliminated the extinction effect. Analysis of changes in diffraction peak intensity showed a region of primary plasticity that exhibits significant changes in diffraction behavior. Fully annealed samples initially contain diffracting volumes large enough to follow the dynamical theory of diffraction. When loaded beyond the yield point, dislocation motion disrupts the lattice perfection, and the diffracting volume is reduced to the point that diffraction follows the kinematic theory of diffraction. Since the sample preparation and deformation mechanisms present in this study are common in numerous material systems, this dynamical to kinematic diffraction transition should also be considered in other diffraction experiments. These measurements also suggest the possibility of a new method of investigating structural characteristics. (C) 2014 Published by Elsevier Ltd. on behalf of Acta Materialia Inc.

  16. Process for synthesizing compounds from elemental powders and product

    DOEpatents

    Rabin, B.H.; Wright, R.N.

    1993-12-14

    A process for synthesizing intermetallic compounds from elemental powders is described. The elemental powders are initially combined in a ratio which approximates the stoichiometric composition of the intermetallic compound. The mixed powders are then formed into a compact which is heat treated at a controlled rate of heating such that an exothermic reaction between the elements is initiated. The heat treatment may be performed under controlled conditions ranging from a vacuum (pressureless sintering) to compression (hot pressing) to produce a desired densification of the intermetallic compound. In a preferred form of the invention, elemental powders of Fe and Al are combined to form aluminide compounds of Fe[sub 3] Al and FeAl. 25 figures.

  17. Rare earth-copper-magnesium compounds RECu 9Mg 2 ( RE=Y, La-Nd, Sm-Ho, Yb) with ordered CeNi 3-type structure

    NASA Astrophysics Data System (ADS)

    Solokha, P.; Pavlyuk, V.; Saccone, A.; De Negri, S.; Prochwicz, W.; Marciniak, B.; Różycka-Sokołowska, E.

    2006-10-01

    A series of ternary compounds RECu 9Mg 2 ( RE=Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Yb) have been synthesized via induction melting of elemental metal ingots followed by annealing at 400 °C for 4 weeks. Scanning electron microscopy (SEM) coupled with energy dispersive X-ray spectroscopy (EDXS) was used for examining microstructure and phase composition. These phases crystallize with an ordered version of the binary hexagonal structure type first reported for CeNi 3. The crystal structure was solved for TbCu 9Mg 2 from single crystal X-ray counter data (TbCu 9Mg 2-structure type, P6 3/mmc-space group, hP24-Pearson symbol, a=0.49886 (7) nm, c=1.61646 (3) nm, RF=0.0474 for 190 unique reflections). The Rietveld refinement of the X-ray powder diffraction patterns of RECu 9Mg 2 confirmed the same crystal structure for the reported rare earth metals. The unit cell volumes for RECu 9Mg 2 smoothly follow the lanthanide contraction. The existence of a RECu 9Mg 2 phase was excluded for RE=Er and Tm under the investigated experimental conditions.

  18. Antiferromagnetic Kondo lattice in the layered compounds Re2NiGa9Ge2 (Re =Ce, Pr, Sm)

    NASA Astrophysics Data System (ADS)

    Zhu, Yanglin; Liu, Jinyu; Hu, Jin; Adams, Daniel; Spinu, Leonard; Mao, Zhiqiang

    Intermetallic compounds containing rare-earth/actinide elements with 4f/5f electrons have formed a special family of strongly correlated materials, i.e. heavy fermion systems. We have recently found a new layered rare earth intermetallic system showing moderate heavy fermion behavior: Re2NiGa9Ge2 (Re =Ce, Sm, Pr). The Re =Ce and Sm members were previously synthesized, while their electronic properties have not been reported. We have recently grown single crystals of Re2NiGa9Ge2 (Re =Ce, Sm, Pr) and characterized their electronic and magnetic properties. We find all these materials are antiferromagnetic, with TN = 2.5 K, 5 K, 3.4 K respectively for Re =Ce, Pr and Sm. Moreover, they also exhibit large values of electronic specific coefficient: γ ~ 101 mJ mol-Ce-1 K-2 for Re =Ce, 368 mJ mol-Pr-1 K-2 for Re =Pr, and 196.4 mJ mol-Sm-1 K-2 for Re =Sm, indicating enhanced Kondo effect and the presence of AFM Kondo lattice. Our findings suggest that Re2NiGa9Ge2 (Re =Ce, Pr, Sm) could be interesting candidate materials for exploring novel exotic properties of correlated electrons through external parameter tuning such as chemical substitution and pressure.

  19. Intermetallic Phase Formation in Explosively Welded Al/Cu Bimetals

    NASA Astrophysics Data System (ADS)

    Amani, H.; Soltanieh, M.

    2016-08-01

    Diffusion couples of aluminum and copper were fabricated by explosive welding process. The interface evolution caused by annealing at different temperatures and time durations was investigated by means of optical microscopy, scanning electron microscopy equipped with energy dispersive spectroscopy, and x-ray diffraction. Annealing in the temperature range of 573 K to 773 K (300 °C to 500 °C) up to 408 hours showed that four types of intermetallic layers have been formed at the interface, namely Al2Cu, AlCu, Al3Cu4, and Al4Cu9. Moreover, it was observed that iron trace in aluminum caused the formation of Fe-bearing intermetallics in Al, which is near the interface of the Al-Cu intermetallic layers. Finally, the activation energies for the growth of Al2Cu, AlCu + Al3Cu4, Al4Cu9, and the total intermetallic layer were calculated to be about 83.3, 112.8, 121.6, and 109.4 kJ/mol, respectively. Considering common welding methods ( i.e., explosive welding, cold rolling, and friction welding), although there is a great difference in welding mechanism, it is found that the total activation energy is approximately the same.

  20. Competing anisotropies on 3d sub-lattice of YNi4-xCoxB compounds

    NASA Astrophysics Data System (ADS)

    Caraballo Vivas, R. J.; Rocco, D. L.; Costa Soares, T.; Caldeira, L.; Coelho, A. A.; Reis, M. S.

    2014-08-01

    The magnetic anisotropy of 3d sub-lattices has an important rule on the overall magnetic properties of hard magnets. Intermetallics alloys with boron (R-Co/Ni-B, for instance) belong to those hard magnets family and are useful objects to help to understand the magnetic behavior of 3d sub-lattice, specially when the rare earth ions R do not have magnetic nature, like YCo4B ferromagnetic material. Interestingly, YNi4B is a paramagnetic material and Ni ions do not contribute to the magnetic anisotropy. We focused therefore our attention to YNi4-xCoxB series, with x = 0, 1, 2, 3, and 4. The magnetic anisotropy of these compounds is deeper described using statistical and preferential models of Co occupation among the possible Wyckoff positions into the CeCo4B type hexagonal structure. We found that the preferential model is the most suitable to explain the magnetization experimental data.

  1. Sandwich-type mixed tetrapyrrole rare-earth triple-decker compounds. Effect of the coordination geometry on the single-molecule-magnet nature.

    PubMed

    Kan, Jinglan; Wang, Hailong; Sun, Wei; Cao, Wei; Tao, Jun; Jiang, Jianzhuang

    2013-08-01

    Employment of the raise-by-one step method starting from M(TClPP)(acac) (acac = monoanion of acetylacetone) and [Pc(OPh)8]M'[Pc(OPh)8] led to the isolation and free modulation of the two rare-earth ions in the series of four mixed tetrapyrrole dysprosium sandwich complexes {(TClPP)M[Pc(OPh)8]M'[Pc(OPh)8]} [1-4; TClPP = dianion of meso-tetrakis(4-chlorophenyl)porphyrin; Pc(OPh)8 = dianion of 2,3,9,10,16,17,23,24-octa(phenoxyl)phthalocyanine; M-M' = Dy-Dy, Y-Dy, Dy-Y, and Y-Y]. Single-crystal X-ray diffraction analysis reveals different octacoordination geometries for the two metal ions in terms of the twist angle (defined as the rotation angle of one coordination square away from the eclipsed conformation with the other) between the two neighboring tetrapyrrole rings for the three dysprosium-containing isostructural triple-decker compounds, with the metal ion locating between an inner phthalocyanine ligand and an outer porphyrin ligand with a twist angle of 9.64-9.90° and the one between two phthalocyanine ligands of 25.12-25.30°. Systematic and comparative studies over the magnetic properties reveal magnetic-field-induced single-molecule magnet (SMM), SMM, and non-SMM nature for 1-3, respectively, indicating the dominant effect of the coordination geometry of the spin carrier, instead of the f-f interaction, on the magnetic properties. The present result will be helpful for the future design and synthesis of tetrapyrrole lanthanide SMMs with sandwich molecular structures.

  2. Oxidation of high-temperature intermetallics; Proceedings of the Workshop, Cleveland, OH, Sept. 22, 23, 1988

    NASA Technical Reports Server (NTRS)

    Grobstein, Toni (Editor); Doychak, Joseph (Editor)

    1989-01-01

    The present conference on the high-temperature oxidation behavior of aerospace structures-applicable intermetallic compounds discusses the influence of reactive-element additions on the oxidation of Ni3Al base alloys, the effect of Ni3Al oxidation below 850 C on fracture behavior, the oxidation of FeAl + Hf, Zr, and B, the synergistic effect of Al and Si on the oxidation resistance of Fe alloys, and pack cementation coatings of Cr-Al on Fe, Ni, and Co alloys. Also discussed are the formation of alumina on Nb- and Ti-base alloys, the oxidation behavior of titanium aluminide alloys, silicide coatings for refractory metals, the oxidation of chromium disilicide, and the oxidation behavior of nickel beryllides.

  3. Advances in processing of NiAl intermetallic alloys and composites for high temperature aerospace applications

    NASA Astrophysics Data System (ADS)

    Bochenek, Kamil; Basista, Michal

    2015-11-01

    Over the last few decades intermetallic compounds such as NiAl have been considered as potential high temperature structural materials for aerospace industry. A large number of investigations have been reported describing complex fabrication routes, introducing various reinforcing/alloying elements along with theoretical analyses. These research works were mainly focused on the overcoming of main disadvantage of nickel aluminides that still restricts their application range, i.e. brittleness at room temperature. In this paper we present an overview of research on NiAl processing and indicate methods that are promising in solving the low fracture toughness issue at room temperature. Other material properties relevant for high temperature applications are also addressed. The analysis is primarily done from the perspective of NiAl application in aero engines in temperature regimes from room up to the operating temperature (over 1150 °C) of turbine blades.

  4. Pressure tuning of competing magnetic interactions in intermetallic CeFe2

    SciTech Connect

    Wang, Jiyang; Feng, Yejun; Jaramillo, R.; van Wezel, Jasper; Canfield, Paul C.; Rosenbaum, T.F.

    2012-07-20

    We use high-pressure magnetic x-ray diffraction and numerical simulation to determine the low-temperature magnetic phase diagram of stoichiometric CeFe2. Near 1.5 GPa we find a transition from ferromagnetism to antiferromagnetism, accompanied by a rhombohedral distortion of the cubic Laves crystal lattice. By comparing pressure and chemical substitution we find that the phase transition is controlled by a shift of magnetic frustration from the Ce-Ce to the Fe-Fe sublattice. Notably the dominant Ce-Fe magnetic interaction, which sets the temperature scale for the onset of long-range order, remains satisfied throughout the phase diagram but does not determine the magnetic ground state. Our results illustrate the complexity of a system with multiple competing magnetic energy scales and lead to a general model for magnetism in cubic Laves phase intermetallic compounds.

  5. New rare-earth metal germanides with bismuth substitution. Synthesis, structural variations, and magnetism of the RE[Bi{sub x}Ge{sub 1-x}]{sub 2} (RE=Y, Pr, Nd, Sm, Gd-Tm, Lu) compounds

    SciTech Connect

    Zhang, Jiliang; Hmiel, Benjamin; Antonelli, Anthony; Tobash, Paul H.; Bobev, Svilen; Saha, Shanta; Kirshenbaum, Kevin; Greene, Richard L.; Paglione, Johnpierre

    2012-12-15

    Single-crystals of the novel rare-earth metal-bismuth digermanides with idealized formula RE[Bi{sub x}Ge{sub 1-x}]{sub 2} (RE=Y, Pr, Nd, Sm, Gd-Tm, Lu; x<0.16(1)) have been obtained using the Bi-flux technique. Their structures have been established by single-crystal X-ray diffraction; they can be divided into three classes, closely related to the ZrSi{sub 2} structure with the space group Cmcm (no. 63). The structural relationship and the variations with the type of the rare-earth metal have been explored and discussed. Temperature-dependent magnetization measurements on the single-crystals reveal magnetic behavior, which have been rationalized based on the mean-field theory. At cryogenic temperatures, the localized 4f electrons in most of the compounds exhibit antiferromagnetic ordering, mediated by the conduction electrons via Ruderman-Kittel-Kasuya-Yosida (RKKY) exchange interactions. - Graphical abstract: This paper details the synthesis and the structural characterization of an extended series of rare-earth metal-bismuth-germanides RE[Bi{sub x}Ge{sub 1-x}]{sub 2} (RE=Y, Pr-Sm, Gd-Tm, Lu). They crystallize with the same extended symmetry (space group Cmcm), but with three distinct structures, which are closely related. Magnetization measurements show low-temperature antiferromagnetic ordering. RE[Bi{sub x}Ge{sub 1-x}]{sub 2} are the first compounds between these elements. Highlights: Black-Right-Pointing-Pointer RE[Bi{sub x}Ge{sub 1-x}]{sub 2} (RE=rare-earth metal) are the first compounds of the respective elements. Black-Right-Pointing-Pointer Their structures are closely related. Black-Right-Pointing-Pointer Three structures can be distinguished based on the packing of the REGe{sub 6} triangular prisms. Black-Right-Pointing-Pointer All compounds show low-temperature antiferromagnetic ordering.

  6. Current activated tip sintering of Ni-Ti intermetallics

    NASA Astrophysics Data System (ADS)

    Sharma, Nitin

    This thesis investigated the current activated tip-sintering of reactive mixtures of nickel and titanium to form Ni-Ti intermetallics. The effect of elemental powder composition, heating profile and micro-jet inert gas pressures on the developed macro- and microstructure was investigated. The heating profile brought upon by selective electric current application was found to have a significant effect on whether the reaction is a volumetric combustion or a self-propagating high temperature one. The best results in terms of homogeneity and Ni-Ti intermetallics yield, were obtained for an inert gas pressure of 4 psi under for the nickel rich composition. In addition, surprising results at the higher inert gas pressures show the formation of hollow products, which can give rise future exploration of this technique for combustion synthesizing hollow products of different shapes.

  7. Theoretical energy release of thermites, intermetallics, and combustible metals

    SciTech Connect

    Fischer, S.H.; Grubelich, M.C.

    1998-06-01

    Thermite (metal oxide) mixtures, intermetallic reactants, and metal fuels have long been used in pyrotechnic applications. Advantages of these systems typically include high energy density, impact insensitivity, high combustion temperature, and a wide range of gas production. They generally exhibit high temperature stability, and possess insensitive ignition properties. In this paper, the authors review the applications, benefits, and characteristics of thermite mixtures, intermetallic reactants, and metal fuels. Calculated values for reactant density, heat of reaction (per unit mass and per unit volume), and reaction temperature (without and with consideration of phase changes and the variation of specific heat values) are tabulated. These data are ranked in several ways, according to density, heat of reaction, reaction temperature, and gas production.

  8. Discontinuously reinforced intermetallic matrix composites via XD synthesis. [exothermal dispersion

    NASA Technical Reports Server (NTRS)

    Kumar, K. S.; Whittenberger, J. D.

    1992-01-01

    A review is given of recent results obtained for discontinuously reinforced intermetallic matrix composites produced using the XD process. Intermetallic matrices investigated include NiAl, multiphase NiAl + Ni2AlTi, CoAl, near-gamma titanium aluminides, and Ll2 trialuminides containing minor amounts of second phase. Such mechanical properties as low and high temperature strength, compressive and tensile creep, elastic modulus, ambient ductility, and fracture toughness are discussed as functions of reinforcement size, shape, and volume fraction. Microstructures before and after deformation are examined and correlated with measured properties. An observation of interest in many of the systems examined is 'dispersion weakening' at high temperatures and high strain rates. This behavior is not specific to the XD process; rather similar observations have been reported in other discontinuous composites. Proposed mechanisms for this behavior are presented.

  9. Electronic and optical properties of RESn{sub 3} (RE=Pr & Nd) intermetallics: A first principles study

    SciTech Connect

    Pagare, G.; Abraham, Jisha A.; Sanyal, S. P.

    2015-06-24

    A theoretical study of structural, electronic and optical properties of RESn{sub 3} (RE = Pr & Nd) intermetallics have been investigated systematically using first principles density functional theory. The calculations are carried out within the PBE-GGA and LSDA for the exchange correlation potential. The ground state properties such as lattice parameter (a{sub 0}), bulk modulus (B) and its pressure derivative (B′) are calculated and the calculated lattice parameters show well agreement with the experimental results. We first time predict elastic constants for these compounds. From energy dispersion curves, it is found that these compounds are metallic in nature. The linear optical response of these compounds are also studied and the higher value of static dielectric constant shows the possibility to use them as good dielectric materials.

  10. An intermetallic forming steel under radiation for nuclear applications

    NASA Astrophysics Data System (ADS)

    Hofer, C.; Stergar, E.; Maloy, S. A.; Wang, Y. Q.; Hosemann, P.

    2015-03-01

    In this work we investigated the formation and stability of intermetallics formed in a maraging steel PH 13-8 Mo under proton radiation up to 2 dpa utilizing nanoindentation, microcompression testing and atom probe tomography. A comprehensive discussion analyzing the findings utilizing rate theory is introduced, comparing the aging process to radiation induced diffusion. New findings of radiation induced segregation of undersize solute atoms (Si) towards the precipitates are considered.

  11. Cluster expansion of fcc Pd-V intermetallics

    SciTech Connect

    de Fontaine, D.; Wolverton, C.; Ceder, G. ); Dreysse, H. . Lab. de Physique du Solide)

    1991-06-01

    A cluster expansion is used to compute fcc ground states from first principles for the Pd-V system. Intermetallic structures are not assumed but derived rigorously by minimizing the configurational energy subject to linear constraints. A large number of concentration-independent interactions are calculated by the method of direct configurational averaging. Agreement with the fcc-based portion of the experimentally-determined Pd-V phase diagram is quite satisfactory. 25 refs., 2 figs.

  12. Superplastic ceramics and intermetallics and their potential applications

    SciTech Connect

    Wadsworth, J.; Nieh, T.G.

    1994-11-01

    Recent advances in the basic understanding of superplasticity and superplastic forming of ceramics and intermetallics are reviewed. Fine-grained superplastic ceramics, including yttria-stabilized tetragonal zirconia polycrystal, Y- or MgO-doped Al{sub 2}O{sub 3} Hydroxyapatite, {beta}-spodumene glass ceramics, Al{sub 2}0{sub 3}-YTZP two-phase composites, SiC-Si{sub 3}N{sub 4} and Fe-Fe{sub 3}C composites, are discussed. Superplasticity in the nickel-base (e.g., Ni{sub 3}Al and Ni{sub 3}Si) and titanium-base intermetallics (TiAl and T1{sub 3}Al), is described. Deformation mechanisms as well as microstructural requirements and effects such as grain size, grain growth, and grain-boundary phases, on the superplastic deformation behavior am addressed. Factors that control the superplastic tensile elongation of ceramics are discussed. Superplastic forming, and particularly biaxial gas-pressure forming, of several ceramics and intermetallics are presented with comments on the likelihood of commercial application.

  13. First principles study of structural, electronic, elastic and thermal properties of YX (X = Cd, In, Au, Hg and Tl) intermetallics

    NASA Astrophysics Data System (ADS)

    Chouhan, Sunil Singh; Pagare, Gitanjali; Rajagopalan, M.; Sanyal, S. P.

    2012-08-01

    The structural, electronic, elastic and thermal properties of YX (X = Cd, In, Au, Hg and Tl) intermetallic compounds crystallizing in B2-type structure have been studied using first principles density functional theory within generalized gradient approximation (GGA) for the exchange correlation potential. Amongst all the YX compounds, YIn is stable in distorted tetragonal (P4/mmm) CuAu-type structure at ambient pressure with very small energy difference of 0.00681 Ry. but it undergoes to CsCl-type (B2 phase) structure at 23.3 GPa. Rest of the compounds are stable in B2 structure at ambient condition. The values of elastic moduli as a function of pressure are also reported. The ductility of these compounds has been analyzed using the Pugh rule. Our calculated results indicate that YTl is the most ductile amongst all the B2-YX compounds. YAu is the hardest and less compressible compound due to the largest bulk modulus. The elastic properties such as Young's modulus (E), Poisson's ratio (σ) and anisotropic ratio (A) are also predicted. The anisotropic factor is found to be unity for YHg which shows that this compound is isotropic.

  14. FP-LAPW study of structural, electronic, elastic, mechanical and thermal properties of AlFe intermetallic

    NASA Astrophysics Data System (ADS)

    Jain, Ekta; Pagare, Gitanjali; Sanyal, S. P.

    2016-05-01

    The structural, electronic, elastic, mechanical and thermal properties of AlFe intermetallic compound in B2-type (CsCl) structure have been investigated using first-principles calculations. The exchange-correlation term was treated within generalized gradient approximation. Ground state properties i.e. lattice constants (a0), bulk modulus (B) and first-order pressure derivative of bulk modulus (B') are presented. The density of states are derived which show the metallic character of present compound. Our results for C11, C12 and C44 agree well with previous theoretical data. Using Pugh's criteria (B/GH < 1.75), brittle character of AlFe is satisfied. In addition shear modulus (GH), Young's modulus (E), sound wave velocities and Debye temperature (θD) have also been estimated.

  15. Study of Intermetallic Nanostructures for Light-Water Reactors

    SciTech Connect

    Jensen, Niels Grobech; Asta, Mark D.; Hosemann, Peter; Maloy, Stuart

    2015-09-30

    High temperature mechanical measurements were conducted to study the effect of the dynamic precipitation process of PH 13-8 Mo maraging steel. Yield stress, ultimate tensile strength, total elongation, hardness, strain rate sensitivity and activation volume were evaluated as a function of the temperature. The dynamic changes in the mechanical properties at different temperatures were evaluated and a balance between precipitation hardening and annealed softening is discussed. A comparison between hardness and yield stress and ultimate tensile strength over a temperature range from 300 to 600 °C is made. The behavior of the strain rate sensitivity was correlated with the intermetallic precipitates formed during the experiments.

  16. Exo-Melt{trademark} process for intermetallic powders

    SciTech Connect

    Sikka, V.K.; Deevi, S.C.

    1996-06-01

    The methods of powder production for intermetallics are reviewed. An innovative method known as Exo-Melt{trademark} is described for producing molten aluminides for gas- and water-atomization processes that require a molten metal stream. The Exo-Melt{trademark} process is based on the effective utilization of the heats of formation of aluminides from their constituent elements. The Exo-Melt{trademark} process principles are discussed along with a description of a furnace-loading sequence that uses the principles for practical applications. The benefits of the Exo-Melt{trademark} process are compared with the problems associated with the conventional melting process.

  17. A survey of combustible metals, thermites, and intermetallics for pyrotechnic applications

    SciTech Connect

    Fischer, S.H.; Grubelich, M.C.

    1996-08-01

    Thermite mixtures, intermetallic reactants, and metal fuels have long been used in pyrotechnics. Advantages include high energy density, impact insensitivity, high combustion temperature, and a wide range of gas production. They generally exhibit high temperature stability and possess insensitive ignition properties. This paper reviews the applications, benefits, and characteristics of thermite mixtures, intermetallic reactants, and metal fuels. 50 refs, tables.

  18. Preparation and hydrogen storage properties of Mg2Ni intermetallic nanoparticles

    NASA Astrophysics Data System (ADS)

    Shao, Huaiyu; Xu, Hairuo; Wang, Yuntao; Li, Xingguo

    2004-03-01

    In this work we investigated the hydrogen storage properties of stoichiometric Mg2Ni intermetallic nanoparticles produced from Mg and Ni nanoparticles. The mean size of the Mg2Ni particles is about 30-50 nm and the lattice constants of the Mg2Ni compound are a = 5.22 Å, c = 13.29 Å. The Mg2Ni compound showed excellent hydrogen storage properties without activation. It can absorb 2.77, 2.93 and 3.03 wt% hydrogen at 523, 573 and 623 K respectively. After one simple activation process, the obtained Mg2Ni absorbed 1.74, 2.07, 2.31 and 2.82 wt% hydrogen at 293, 348, 426 and 493 K respectively. The absorption and desorption plateau hydrogen pressures are about 2.5 and 0.8 bar at 523 K, 5.9 and 3.4 bar at 573 K and 12.7 and 9.7 bar at 623 K. The resulting van't Hoff equation is log(P/bar) = -3464/T+6.541 and the formation enthalpy (DgrH) and entropy (DgrS) for the Mg2NiH4 are -66.32 kJ/mol H2 and -125.3 J K-1/mol H2.

  19. Superconductivity by rare earth doping in the 1038-type compounds (Ca1-xREx) 10(FeAs)10(Pt3As8) with RE=Y, La-Nd, Sm-Lu

    NASA Astrophysics Data System (ADS)

    Stürzer, Tobias; Derondeau, Gerald; Bertschler, Eva-Maria; Johrendt, Dirk

    2015-01-01

    We report superconductivity in polycrystalline samples of the 1038-type compounds (Ca1-xREx) 10(FeAs)10(Pt3As8) up to Tc=35 K with RE=Y, La-Nd, Sm, Gd-Lu. The critical temperatures are nearly independent of the trivalent rare earth element used, yielding a common Tc(xRE) phase diagram for electron doping in all these systems. The absence of superconductivity in Eu2+ doped samples, as well as the close resemblance of (Ca1-xREx) 10(FeAs)10(Pt3As8) to the 1048 compound substantiate that the electron doping scenario in the RE-1038 and 1048 phases is analogous to other iron-based superconductors with simpler crystal structures.

  20. Evidence of conduction-electron shielding of the crystal electric field of Tb sub x Gd sub 1 minus x Al sub 2 intermetallics

    SciTech Connect

    del Moral, A.; Joven, E. Instituto de Ciencio de Materiales de Aragon, Universidad de Zaragoza, Consejo Superior de Investigaciones Cientificas, Zaragoza )

    1990-12-01

    A comparison of the values obtained for the {ital B}{sub 4} crystal-electric-field (CEF) parameter in the series of cubic intermetallics Tb{sub {ital x}}Gd{sub 1{minus}{ital x}}Al{sub 2} with a model which predicts a dependence of {ital B}{sub 4} on the density of states with {ital d} character at the Fermi level, allows us to demonstrate directly the shielding effect of the conduction electrons on the CEF produced by the lattice of tripositive rare-earth and Al ions.

  1. Structure, stability, and mechanical properties of intermetallic phases

    SciTech Connect

    Schneibel, J.H.; Liu, C.T.

    1993-12-31

    The importance of the structural stability of intermetallics with regard to their mechanical properties is illustrated with two case studies. First, the importance of structural and thermal defects for the strength of (weakly ordered) FeAl and (strongly ordered) NiAl is shown. Several inconsistencies and unresolved issues in the present understanding of point defects in FeAl are addressed. Since point defects alone may not explain the mechanical differences between these two materials, the role of dislocations is considered as well. It is shown that the differences in the atomic bonding of FeAl and NiAl, which deter-mine the active slip systems, are likely to influence the compositional dependence of the strength of these two intermetallics. Second, the class of the trialuminides is reviewed with emphasis on Al{sub 3}Ti. In addition to stabilizing a cubic crystal structure, the ratio of K/G, where K is the bulk modulus and G the shear modulus, needs to be increased in order to achieve extensive plastic deformation at room temperature. It is not clear, at the present time, to what extent macroalloying of trialuminides can achieve this goal, although promising results have been reported for Al{sub 3}Ti containing relatively high concentrations (14 at. %) of chromium.

  2. SURFACE MODIFICATION OF ZIRCALOY-4 SUBSTRATES WITH NICKEL ZIRCONIUM INTERMETALLICS

    SciTech Connect

    Luscher, Walter G.; Gilbert, Edgar R.; Pitman, Stan G.; Love, Edward F.

    2013-02-01

    Surfaces of Zircaloy-4 (Zr-4) substrates were modified with nickel-zirconium (NiZr) intermetallics to tailor oxidation performance for specialized applications. Surface modification was achieved by electroplating Zr-4 substrates with nickel (Ni) and then performing thermal treatments to fully react the Ni plating with the substrates, which resulted in a coating of NiZr intermetallics on the substrate surfaces. Both plating thickness and thermal treatment were evaluated to determine the effects of these fabrication parameters on oxidation performance and to identify an optimal surface modification process. Isothermal oxidation tests were performed on surface-modified materials at 290°, 330°, and 370°C under a constant partial pressure of oxidant (i.e., 1 kPa D2O in dry Ar at 101 kPa) for 64 days. Test results revealed an enhanced, transient oxidation rate that decreased asymptotically toward the rate of the Zr-4 substrate. Oxidation kinetics were analyzed from isothermal weight gain data, which were correlated with microstructure, hydrogen pickup, strength, and hardness.

  3. Intermetallic superconductors---The state of development in 1991

    SciTech Connect

    Forsyth, E.B.

    1991-01-01

    The commercial fabrication of intermetallic superconductors has reached a high degree of maturity in the past thirty years. The only significant, commercial requirement for superconducting wire is the construction of magnetic resonance imaging (MRI) devices for medical diagnosis. In addition to this demand there are one-time projects such as high energy particle accelerators which often need considerable quantities of superconducting material over the few years of construction. R D projects also provide a fluctuating market for superconducting materials, in the past the projects have included power apparatus such as generators, motors, energy storage and transmission cables, and magnets for experimental fusion reactors. Superconducting magnetically levitated trains have undergone full scale trials in Japan and Germany. This is by no means a comprehensive list of all the possible applications. Virtually all the devices requiring a magnetic field to be produced by superconducting windings have used NbTi wire, but a few experimental Nb{sub 3}Sn high field magnets have been constructed. This report briefly discusses development of intermetallic superconductors.

  4. Theoretical Energy Release of Thermites, Intermetallics, and Combustible Metals

    SciTech Connect

    Fischer, S.H.; Grubelich, M.C.

    1999-05-14

    Thermite mixtures, intermetallic reactants, and metal fuels have long been used in pyrotechnic applications. Advantages of these systems typically include high energy density, high combustion temperature, and a wide range of gas production. They generally exhibit high temperature stability and possess insensitive ignition properties. For the specific applications of humanitarian demining and disposal of unexploded ordnance, these pyrotechnic formulations offer additional benefits. The combination of high thermal input with low brisance can be used to neutralize the energetic materials in mines and other ordnance without the "explosive" high-blast-pressure events that can cause extensive collateral damage to personnel, facilities, and the environment. In this paper, we review the applications, benefits, and characteristics of thermite mixtures, intermetallic reactants, and metal fuels. Calculated values for reactant density, heat of reaction (per unit mass and per unit volume), and reaction temperature (without and with consideration of phase changes and the variation of specific heat values) are tabulated. These data are ranked in several ways, according to density, heat of reaction, reaction temperature, and gas production.

  5. Influence of crystallization in microgravity conditions on the structure and magnetic properties of Gd 3Co and (Gd 0.2Tb 0.8) 3Co compounds

    NASA Astrophysics Data System (ADS)

    Savitsky, E. M.; Torchinova, R. S.; Turanov, S. A.

    1984-04-01

    On board the orbital complex "Salyut-6" during long-term space flight, the experiment on crystallization of the rare earth-cobalt intermetallic compounds of the R 3Co type has been performed. The object of the experiment was to investigate the influence of microgravity on the macro- and microstructure and magnetic properties of Gd 3Co and (Gd 0.2Tb 0.8) 3Co compounds. The experiment included the melting in space of the compounds prepared on Earth under isothermal or thermal gradient conditions and crystallization during passive cooling. The change of meniscus form from the cave form which is characteristic of the ground-based samples to the concave form has been observed for the Gd 3Co flight samples. The Gd 3Co and (Gd 0.2Tb 0.8) 3Co flight samples were characterized with macro- and micropores of the sphere form. By means of vibrating magnetometer the temperature dependences of the magnetization have been measured in the temperature range of 4.2-300 K for Gd 3Co (at 1.7 kOe) and (Gd 0.2Tb 0.8) 3Co (at 500 0e) polyerystal ground-based and flight samples. The temperature dependences of magnetization of both compounds differ significantly compared to those for the ground-based samples in the temperature regions of magnetic ordering.

  6. Superconductivity up to 114 K in the Bi-Al-Ca-Sr-Cu-O compound system without rare-earth elements

    NASA Technical Reports Server (NTRS)

    Chu, C. W.; Bechtold, J.; Gao, L.; Hor, P. H.; Huang, Z. J.

    1988-01-01

    Stable superconductivity up to 114 K has been reproducibly detected in Bi-Al-Ca-Sr-Cu-O multiphase systems without any rare-earth elements. Pressure has only a slight positive effect on T(c). These observations provide an extra material base for the study of the mechanism of high-temperature superconductivity and also the prospect of reduced material cost for future applications of superconductivity.

  7. {sup 57}Fe Moessbauer and x-ray magnetic circular dichroism study of magnetic compensation of the rare-earth sublattice in Nd{sub 2-x}Ho{sub x}Fe{sub 14}B compounds

    SciTech Connect

    Chaboy, J.; Piquer, C.; Plugaru, N.; Bartolome, F.; Laguna-Marco, M. A.

    2007-10-01

    We present here a study of the magnetic properties of the Nd{sub 2-x}Ho{sub x}Fe{sub 14}B series. The macroscopic properties of these compounds evolve continuously from those of Nd{sub 2}Fe{sub 14}B to those of Ho{sub 2}Fe{sub 14}B as Ho gradually replaces Nd. The system shows a compensation of the rare-earth sublattice magnetization for a critical concentration, x{sub c}=0.55, that is reflected into the anomalous behavior of both macroscopic and microscopic magnetic probes. The combined analysis of magnetization, {sup 57}Fe Moessbauer spectroscopy and Fe K-edge x-ray magnetic circular dichroism (XMCD) measurements suggests that the origin of the anomalous magnetic behavior found at x{sub c}=0.55 is mainly due to the Ho sublattice. Moreover, the analysis of the Fe K-edge XMCD signals reveal the presence of a rare-earth contribution, reflecting the coupling of the rare-earth and Fe magnetic moments, which can lead to the possibility of disentangling the magnetic behavior of both Fe and R atoms using a single absorption edge.

  8. Epitaxial Stabilization between Intermetallic and Carbide Domains in the Structures of Mn16SiC4 and Mn17Si2C4.

    PubMed

    Fredrickson, Rie T; Guo, Yiming; Fredrickson, Daniel C

    2016-01-13

    The concept of frustration between competing geometrical or bonding motifs is frequently evoked in explaining complex phenomena in the structures and properties of materials. This idea is of particular importance for metallic systems, where frustration forms the basis for the design of metallic glasses, a source of diverse magnetic phenomena, and a rationale for the existence of intermetallics with giant unit cells containing thousands of atoms. Unlike soft materials, however, where conflicts can be synthetically encoded in the molecular structure, staging frustration in the metallic state is challenging due to the ease of macroscopic segregation of incompatible components. In this Article, we illustrate one approach for inducing the intergrowth of incompatible bonding motifs with the synthesis and characterization of two new intermetallic carbides: Mn16SiC4 (mC42) and Mn17Si2C4 (mP46). Similar to the phases Mn5SiC and Mn8Si2C in the Mn-Si-C system, these compounds appear as intergrowths of Mn3C and tetrahedrally close-packed (TCP) regions reminiscent of Mn-rich Mn-Si phases. The nearly complete spatial segregation of Mn-Si (intermetallic) and Mn-C (carbide) interactions in these structures can be understood from the differing geometrical requirements of C and Si. Rather than macroscopically separating into distinct phases, though, the two bonding types are tightly interwoven, with most Mn atoms being on the interfaces. DFT chemical pressure analysis reveals a driving force stabilizing these interfaces: the major local pressures acting between the Mn atoms in the Mn-Si and Mn-C systems are of opposite signs. Joining the intermetallic and carbide domains together then provides substantial relief to these local pressures, an effect we term epitaxial stabilization.

  9. The intermetallic formation and growth kinetics at the interface of near eutectic tin-silver-copper solder alloys and gold/nickel metallization

    NASA Astrophysics Data System (ADS)

    Gao, Mao

    The formation of a one micron thick layer of an intermetallic compound between a solder alloy and a metallic substrate generally constitutes a good solder joint in an electronic device. However, if the compound grows too thick, and/or if multiple intermetallic compounds form, poor solder joint reliability may result. Thus significant interest has been focused on intermetallic compound phase selection and growth kinetics at such solder/metal interfaces. The present study focuses on one such specific problem, the formation and growth of intermetallic compounds at near eutectic Sn-Ag-Cu solder alloy/Ni interfaces. Sn-3.0Ag-0.5Cu solder was reflowed on Au/Ni substrates, resulting in the initial formation and growth of (CuNi)6Sn 5 at Sn-3.0Ag-0.5Cu /Ni interfaces. (NiCu)3Sn4 formed between the (CuNi)6Sn5 and the Ni substrate when the concentration of Cu in the liquid SnAgCu solder decreased to a critical value which depended upon temperature: 0.37, 0.31 and 0.3(wt.%) at reflow temperatures of 260°C, 245°C and 230°C respectively. The growth rate of (CuNi)6Sn5 was found to be consistent with extrapolations of a diffusion limited growth model formulated for lower temperature, solid state diffusion couples. The long range diffusion of Cu did not limit growth rates. The spalling of (CuNiAu)6Sn5 from (NiCu)3 Sn4 surfaces during reflow was also examined. When the Cu concentration in the solder decreased to approximately 0.28wt.%, the (Cu,Ni,Au) 6Sn5 was observed to spall. Compressive stress in (CuNiAu) 6Sn5 and weak adhesion between (CuNiAu)6Sn 5 and (NiCu)3Sn4 was found to cause this effect.

  10. Magnetoelastic properties of substituted Er1-xGdxMn6Sn6 intermetallic system

    NASA Astrophysics Data System (ADS)

    Tabatabai Yazdi, Sh.; Tajabor, N.; Roknabadi, M. Rezaee; Behdani, M.; Pourarian, F.

    2014-06-01

    The forced magnetostriction of polycrystalline samples of Er1-xGdxMn6Sn6 (0≤x≤1) intermetallics with hexagonal HfFe6Ge6-type structure is investigated in the temperature range of 77-480 K. Gd substitution has a significant effect on interatomic distances and especially on inter-sublattice R-Mn couplings. The replacement of Er by Gd results in increasing the ordering temperature followed by reinforcement of the R-Mn coupling, as well as decreasing the magnetostriction values owing to the S-state character of Gd3+ ions. The results show that the contribution of Er sublattice to anisotropic magnetoelastic effects is positive, while that of Gd and Mn is negative. All the examined samples exhibit considerable magnetovolume anomalies at the ordering temperature (TC=338, 381, 412 and 434 K for the samples with x=0, 0.2, 0.6 and 1.0, respectively). While the unsubstituted sample exhibits metamagnetic transitions, Gd-contained compounds do not show this behavior, owing to the strong Gd-Mn coupling. The experimental results obtained are discussed in the framework of the two-magnetic sublattice by bearing in mind the lattice parameter dependence of the interlayer Mn-Mn exchange interaction in these layered compounds. From the temperature dependence of magnetostriction values and considering the magnetostriction equation for a hexagonal structure, we attempt to determine the signs of some of the magnetostriction constants for these compounds and the influence of Gd substitution on them.

  11. UVolution and PROCESS: compared photochemistry in low Earth orbit and in the laboratory of prebiotic organic compounds related to small bodies

    NASA Astrophysics Data System (ADS)

    Cottin, Hervé; Guan, Yuan Yong; Macari, Frederique; Jerome, Murielle; Philippon, Carole; Cloix, Megane; Coll, Patrice; Fray, Nicolas; Szopa, Cyril; Raulin, Francois

    UVolution is an experiment which has been selected by ESA to be flown during 12 days in September 2007, in low Earth orbit on a BIOPAN module outside the Russian space capsule FOTON M3, before being brought back to Earth. PROCESS, is a similar experiment which has been exposed outside the International Space Station during 18 months in 2008-2009. With these experiments, more than 100 organic samples, among them some chosen for their relevance to astrochemistry and astrobiology questions related to comets and meteorites (glycine, ade-nine, guanine, xanthine, hypoxanthine, urea, HCN and C3O2 polymer), were exposed to the space environment. The main goal of this experiment was to study the influence of the solar vacuum Ultra Violet flux (λ<190 nm), which is difficult to reproduce in the laboratory. The re-sults derived from space exposures (photodissociation rates) have been compared to laboratory simulations using a microwave powered H2/He UV lamp as an energy source. We will present, compare and discuss the space and laboratory set of values, and discuss the implication of these measurements in the frame of the studies of the organic content of the small bodies of the Solar System.

  12. Syntheses and characterization of energetic compounds constructed from alkaline earth metal cations (Sr and Ba) and 1,2-bis(tetrazol-5-yl)ethane

    NASA Astrophysics Data System (ADS)

    Xia, Zhengqiang; Chen, Sanping; Wei, Qing; Qiao, Chengfang

    2011-07-01

    Two new energetic compounds, [ M(BTE)(H 2O) 5] n ( M=Sr(1), Ba(2)) [H 2BTE=1,2-bis(tetrazol-5-yl)ethane], have been hydrothermally synthesized and structurally characterized. Single-crystal X-ray diffraction analyses reveal that they are isomorphous and exhibit 2D (4,4) net framework, generated by 4-connected Sr 2(H 2O) 10/Ba 2(H 2O) 10 SBUs linked up by two independent binding modes of H 2BTE, and the resulting 2D structure is interconnected by hydrogen-bond and strong face to face π- π stacking interactions between two tetrazole rings to lead to a 3D supramolecular architecture. DSC measurements show that they have significant catalytic effects on thermal decomposition of ammonium perchlorate. Moreover, the photoluminescence properties, thermogravimetric analyses, and flame colors of the as-prepared compounds are also investigated in this paper.

  13. Formation of intermetallics at the interface of explosively welded Ni-Al multilayered composites during annealing

    NASA Astrophysics Data System (ADS)

    Ogneva, T. S.; Lazurenko, D. V.; Bataev, I. A.; Mali, V. I.; Esikov, M. A.; Bataev, A. A.

    2016-04-01

    The Ni-Al multilayer composite was fabricated using explosive welding. The zones of mixing of Ni and Al are observed at the composite interfaces after the welding. The composition of these zones is inhomogeneous. Continuous homogeneous intermetallic layers are formed at the interface after heat treatment at 620 °C during 5 h These intermetallic layers consist of NiAl3 and Ni2Al3 phases. The presence of mixed zones significantly accelerates the growth rate of intermetallic phases at the initial stages of heating.

  14. Hydrothermal synthesis, structure, and property characterization of rare earth silicate compounds: NaBa3Ln3Si6O20 (Ln = Y, Nd, Sm, Eu, Gd)

    NASA Astrophysics Data System (ADS)

    Sanjeewa, Liurukara D.; Fulle, Kyle; McMillen, Colin D.; Wang, Fenglin; Liu, Yufei; He, Jian; Anker, Jeffrey N.; Kolis, Joseph W.

    2015-10-01

    A series of new lanthanide (Ln) silicates have been synthesized using high temperature hydrothermal techniques, and structurally characterized using single crystal and powder X-ray diffraction. The compounds have the general formula NaBa3Ln3Si6O20 (Ln = Y, Nd, Sm, Eu, Gd), and crystallize in the space group Ama2 (No.40). As a representative example, the unit cell parameters of NaBa3Gd3Si6O20 are a = 14.731(3) Å, b = 23.864(5) Å, c = 5.5449(11) Å and Z = 4. The title compounds adopt a three dimensional polar acentric framework made of Ln-O-Si bonding. The framework is comprised of LnO8 and LnO7 units forming edge-sharing infinite chains along the c-axis. These oxy-bridged infinite chains are also linked by [Si4O13] tetrasilicate and [Si2O7] disilicate units to form the three-dimensional framework structure, with Ba2+ and Na+ cations residing inside channels of the framework. The polarity in the structure is imparted by the unusual tetrasilicate arrangement. The luminescence and magnetic properties were investigated on selected compounds. The temperature dependent magnetic susceptibility measurements on the Nd, Sm, and Gd derivatives reveal a Curie-Weiss behavior with an antiferromagnetic coupling parameter. For the Eu-derivative, the temperature dependent magnetic susceptibility deviates significantly from Curie-Weiss behavior. Luminescence properties of NaBa3Eu3Si6O20 and NaBa3Sm3Si6O20 compounds exhibited the characteristic transitions of Eu3+ (5D0 → 7FJ, J = 0-4) and Sm3+ (4G5/2 → 6HJ, J = 5/2, 7/2), respectively, leading to strong visible red and orange emissions, respectively.

  15. Solid/gas heterogeneous chemistry of organic compounds related to comets, Titan and Mars, through experiments in the laboratory and in Earth orbit

    NASA Astrophysics Data System (ADS)

    Cottin, H.; Amino/Process Team

    Solar UV radiation is a major source of energy to initiate chemical evolution towards complex organic structures but it can also photodissociate the most elaborate molecules Thus Solar UV can erase the organic traces of past life on the surface of planets like Mars or it can influence the production of extended sources in comets AMINO PROCESS and UV-olution are three experiments selected to be flown on the EXPOSE facility on the International Space Station or on the BIOPAN facility during the next FOTON M3 space capsule mission The goal of our experiments is to improve our knowledge of the chemical nature and evolution of organic molecules involved in extraterrestrial environments with astrobiological implications Similar experiments implemented in space so far were carried out in vented cells exposed to solar UVs For the first time sealed exposition cells will be used which will allow us to study chemical evolution in the gaseous phase as well as heterogeneous processes degradation of solid compounds and release of gaseous fragments Three kinds of experiments will be carried out The first ones deal with comets and are related to the Rosetta mission the second ones deal with Titan and are related to the Cassini-Huygens mission while the third ones are related to the search for life-related organic compounds on Mars Concerning comets we plan to study the photodegradation of high molecular weight organic compounds which might be responsible for the wide range of organics polyoxymethylene hexamethylenetetramine HCN polymers and carbon suboxide

  16. Plastic deformation of ordered intermetallic alloys: Fundamental aspects

    SciTech Connect

    Yoo, M.H.

    1994-10-01

    Fundamental aspects of plastic deformation in ordered intermetallic alloys are reviewed by directly comparing the temperature-dependent yield stresses of Ni{sub 3}Al and Ni{sub 3}Si (the L1{sub 2} structure), NiAl and FeAl (the B2 structure), and TiAl and Ti{sub 3}Al (non-cubic L1{sub 0} and D0{sub 19} structures, respectively). While the yield strength anomaly observed in Ni{sub 3}Al is consistent with the prevailing dislocation models, that found in stoichiometric Ni{sub 3}Si is not. The strong plastic anisotropy observed in NiAl stems from the high antiphase boundary energy, and that found in two-phase {gamma}-TiAl/{alpha}{sub 2}-Ti{sub 3}Al is due to the exceptionally high compressive yield strength along the c-axis of Ti{sub 3}Al.

  17. Lattice disorder and magnetism in f-electron intermetallics

    SciTech Connect

    Booth, C.H.; Han, S.-W.; Skanthakumar, S.; Sarrao, J.L.

    2004-07-29

    Real materials can have real differences compared to ideal systems. For instance, non-Fermi liquid (NFL) behavior was initially thought to be due to chemical disorder, since the first such materials were all substituted. Although several nominally well-ordered NFL's have been discovered and extensively studied, the effect of disorder on the magnetic properties of f-electron intermetallic systems remains poorly understood. Disorder in NFL systems is reviewed from an experimental, local structure point of view, including a discussion of results on the nominally ordered U{sub 3}Ni{sub 3}Sn{sub 4} and CeCoIn{sub 5} systems, and the chemically disordered UCu{sub 4}Pd and CeRhRuSi{sub 2} systems.

  18. Compton Profile Study of Intermetallic Ti{sub 3}Al

    SciTech Connect

    Vyas, V.; Sharma, G.; Mishra, M. C.; Sharma, B. K.; Joshi, K. B.

    2011-10-20

    The Compton scattering measurement on intermetallic alloy Ti{sub 3}Al is reported in this work. The measurement is made using 59.54 keV gamma-rays from Am{sup 241} source. Theoretical calculation of Compton profile is also performed employing CRYSTAL code within the framework of density functional theory to compare with the measurement. The theoretical profile of the alloy is also synthesized following the superposition model taking the published Compton profiles of elemental solids from the APW method. The experimental study of charge transfer in the alloys has also been done by performing the experimental Compton profile measurements on Ti and Al following the superposition model and charge transfer from Al to Ti is clearly seen on the alloy formation.

  19. New candidates for the Pt8Ti structures in intermetallics

    NASA Astrophysics Data System (ADS)

    Gilmartin, Erin; Corbitt, Jacqueline; Hart, Gus

    2008-03-01

    The only known intermetallic structure with an 8:1 stoichiometry is that of Pt8Ti. Because of its uniqueness, this structure has been studied in Pt, Pd, and Ni rich systems. However, these metals have only been paired with a handful of other elements. Are there more elements that when alloyed with Pt, Pd, or Ni order with the Pt8Ti structure? We explored 40 different Pd- and Pt-based binary systems. We calculated their formation enthalpies for the Pt8Ti structure, compared the value to the tie line between pure Pd/Pt and experimentally-observed ground states. We find that there are other (beyond those experimentally observed) possible alloys with this structure. These new Pt/Pd-rich alloys could fin application in the jewelry and catalysis industries.

  20. Overview of the development of FeAl intermetallic alloys

    SciTech Connect

    Maziasz, P.J.; Liu, C.T.; Goodwin, G.M.

    1995-09-01

    B2-phase FeAl ordered intermetallic alloys based on an Fe-36 at.% Al composition are being developed to optimize a combination of properties that includes high-temperature strength, room-temperature ductility, and weldability. Microalloying with boron and proper processing are very important for FeAl properties optimization. These alloys also have the good to outstanding resistance to oxidation, sulfidation, and corrosion in molten salts or chlorides at elevated temperatures, characteristic of FeAl with 30--40 at.% Al. Ingot- and powder-metallurgy (IM and PM, respectively) processing both produce good properties, including strength above 400 MPa up to about 750 C. Technology development to produce FeAl components for industry testing is in progress. In parallel, weld-overlay cladding and powder coating technologies are also being developed to take immediate advantage of the high-temperature corrosion/oxidation and erosion/wear resistance of FeAl.

  1. The oxidation of Ni-rich Ni-Al intermetallics

    NASA Technical Reports Server (NTRS)

    Doychak, Joseph; Smialek, James L.; Barrett, Charles A.

    1988-01-01

    The oxidation of Ni-Al intermetallic alloys in the beta-NiAl phase field and in the two phase beta-NiAl/gamma'-Ni3Al phase field has been studied between 1000 and 1400 C. The stoichiometric beta-NiAl alloy doped with Zr was superior to other alloy compositions under cyclic and isothermal oxidation. The isothermal growth rates did not increase monotonically as the alloy Al content was decreased. The characteristically ridged alpha-Al2O3 scale morphology, consisting of cells of thin, textured oxide with thick growth ridges at cell boundaries, forms on oxidized beta-NiAl alloys. The correlation of scale features with isothermal growth rates indicates a predominant grain boundary diffusion growth mechanism. The 1200 C cyclic oxidation resistance decreases near the lower end of the beta-NiAl phase field.

  2. Synthesis, Structure and bonding Analysis of the Polar Intermetallic Phase Ca2Pt2Cd

    SciTech Connect

    Samal, Saroj L.; Corbett, John D.

    2012-08-14

    The polar intermetallic phase Ca2Pt2Cd was discovered during explorations of the Ca-Pt-Cd system. The compound was synthesized by high temperature reactions, and its structure refined by single-crystal X-ray diffraction as orthorhombic, Immm, a = 4.4514(5), b = 5.8415(6), c = 8.5976(9) Å, Z = 2. The structure formally contains infinite, planar networks of [Pt2Cd]4– along the ab plane, which can be described as tessellation of six and four-member rings of the anions, with cations stuffed between the anion layers. The infinite condensed platinum chains show a substantial long–short distortion of 0.52 Å, an appreciable difference between Ca2Pt2Cd (26 valence electrons) and the isotypic but regular Ca2Cu2Ga (29 VE). The relatively large cation proportion diminishes the usual dominance of polar (Pt–Cd) and 5d–5d (Pt–Pt) contributions to the total Hamilton populations.

  3. Intermetallic Formation at Interface of Al/Cu Clad Fabricated by Hydrostatic Extrusion and Its Properties.

    PubMed

    Lee, Jongbeom; Jeong, Haguk

    2015-11-01

    Al/Cu clad composed of Al core and Cu sheath has been produced by hydrostatic extrusion at 523 K, at an extrusion rate of 27. The prepared specimen was post-annealed at temperatures of 673 K and 773 K for various time durations, and the effect of annealing conditions have been analyzed. The hardness at the interface between Al and Cu matrix of the Al/Cu bimetal clad increases because of annealing. Results indicate that the hardness is more sensitive to annealing temperature than the annealing time. Three kinds of intermetallic compounds (IMC), namely, CuAl, Cu3Al2, and CuAl2, are formed at the Al-Cu interface, upon annealing at 673 K. On the other hand, four kinds of IMCs, namely, Cu4Al3, CuAl, Cu3Al2, CuAl2, are formed at the annealing temperature of 773 K. The growth of each IMC follows the parabolic law as a function of annealing times at certain annealing temperature. The growth rate of each IMC is limited to its interdiffusion rate constant. The IMC Cu4Al3 appears upon annealing at 773 K, and not during annealing at 673 K, because of the higher value of activation energy associated with its formation, when compared to other IMCs. PMID:26726557

  4. Microstructure evolution and hardness change in ordered Ni3V intermetallic alloy by energetic ion irradiation

    NASA Astrophysics Data System (ADS)

    Hashimoto, A.; Kaneno, Y.; Semboshi, S.; Yoshizaki, H.; Saitoh, Y.; Okamoto, Y.; Iwase, A.

    2014-11-01

    Ni3V bulk intermetallic compounds with ordered D022 structure were irradiated with 16 MeV Au ions at room temperature. The irradiation induced phase transformation was examined by means of the transmission electron microscope (TEM), the extended X-ray absorption fine structure measurement (EXAFS) and the X-ray diffraction (XRD). We also measured the Vickers hardness for unirradiated and irradiated specimens. The TEM observation shows that by the Au irradiation, the lamellar microstructures and the super lattice spot in diffraction pattern for the unirradiated specimen disappeared. This TEM result as well as the result of XRD and EXAFS measurements means that the intrinsic D022 structure of Ni3V changes into the A1 (fcc) structure which is the lattice structure just below the melting point in the thermal equilibrium phase diagram. The lattice structure change from D022 to A1 (fcc) accompanies a remarkable decrease in Vickers microhardness. The change in crystal structure was discussed in terms of the thermal spike and the sequential atomic displacements induced by the energetic heavy ion irradiation.

  5. Characterization of ceramics and intermetallics fabricated by self-propagating high-temperature synthesis

    NASA Technical Reports Server (NTRS)

    Hurst, Janet B.

    1989-01-01

    Three efforts aimed at investigating the process of self-propagating high temperature synthesis (SHS) for the fabrication of structural ceramics and intermetallics are summarized. Of special interest was the influence of processing variables such as exothermic dopants, gravity, and green state morphology in materials produced by SHS. In the first effort directed toward the fabrication of SiC, exothermic dopants of yttrium and zirconium were added to SiO2 or SiO2 + NiO plus carbon powder mix and processed by SHS. This approach was unsuccessful since it did not produce the desired product of crystalline SiC. In the second effort, the influence of gravity was investigated by examining Ni-Al microstructures which were produced by SHS combustion waves traveling with and opposite the gravity direction. Although final composition and total porosities of the combusted Ni-Al compounds were found to be gravity independent, larger pores were created in those specimens which were combusted opposite to the gravity force direction. Finally, it was found that green microstructure has a significant effect on the appearance of the combusted piece. Severe pressing laminations were observed to arrest the combustion front for TiC samples.

  6. Innovative processing to produce advanced intermetallic materials. Phase 1 final report

    SciTech Connect

    Loutfy, R.O.

    1989-09-01

    The program demonstrates the technical feasibility of synthesizing submicron titanium aluminide in a thermal rf plasma. Micron and submicron spherical titanium aluminide particles are produced in argon, hydrogen, and argon/hydrogen plasmas from the reaction of TiCl4(g), and Al(g). The ratio of Ti and Al is varied to produce the compounds Ti3Al, TiAl, and TiAl3. Microalloying with boron and macroalloying with niobium is demonstrated. Ti3Al whiskers can be produced, as well as other intermetallics of niobium aluminide, nickel aluminide, and molybdenum disilicide in the plasma synthesis process. Since submicron particles are produced, they have a high surface area and are sensitive to oxidation if not treated with a fugitive protective coating or utilized in a nonoxidizing atmosphere. Ti3Al particles are consolidated and utilized as a matrix for TiC and AlN composites. The submicron AlTi3 has significantly higher strength at room temperature than reported for commercial Ti3Al-11Nb alloy and useable strength is maintained up to 1000 C. The elongation is about the same as for commercial material because of possible oxide contamination in powder handling. However, dimpling and nacking is evident in the fracture surface, which suggests true room temperature ductility. Titanium aluminides have the potential to replace superalloys and become the dominant material for aerospace engines, air frames and skins for hypersonic vehicles.

  7. Incorporation of Interfacial Intermetallic Morphology in Fracture Mechanism Map for Sn-Ag-Cu Solder Joints

    NASA Astrophysics Data System (ADS)

    Huang, Z.; Kumar, P.; Dutta, I.; Sidhu, R.; Renavikar, M.; Mahajan, R.

    2014-01-01

    A fracture mechanism map (FMM) is a powerful tool which correlates the fracture behavior of a material to its microstructural characteristics in an explicit and convenient way. In the FMM for solder joints, an effective thickness of the interfacial intermetallic compound (IMC) layer ( t eff) and the solder yield strength ( σ ys,eff) are used as abscissa and ordinate axes, respectively, as these two predominantly affect the fracture behavior of solder joints. Earlier, a definition of t eff, based on the uniform thickness of IMC ( t u) and the average height of the IMC scallops ( t s), was proposed and shown to aptly explain the fracture behavior of solder joints on Cu. This paper presents a more general definition of t eff that is more widely applicable to a range of metallizations, including Cu and electroless nickel immersion gold (ENIG). Using this new definition of t eff, mode I FMM for SAC387/Cu joints has been updated and its validity was confirmed. A preliminary FMM for SAC387/Cu joints with ENIG metallization is also presented.

  8. Joining of Ni-TiC FGM and Ni-Al Intermetallics by Centrifugal Combustion Synthesis

    SciTech Connect

    Ohmi, Tatsuya; Matsuura, Kiyotaka; Iguchi, Manabu; Mizuma, Kiminori

    2008-02-15

    A centrifugal combustion synthesis (CCS) process has been investigated to join a Ni-Al intermetallic compound and a Ni-TiC cermet. The cermet, a tubular graphite mold, and a green compact of reactants consisting of Al, Ni and NiO were set in a centrifugal caster. When the combustion synthesis reaction was induced in the centrifugal force field, a synthesized molten Ni-Al alloy flowed into the graphite mold and joined to the cermet. The soundness of the joint interface depended on the volume percentage of TiC phase in the cermet. A lot of defects were formed near the interface between the Ni-TiC cermet and the cast Ni-Al alloy when the volume percentage of TiC was 50% or higher. For this kind of cermet system, using a functionally graded cermet such as Ni-10 vol.%TiC/Ni-25 vol.%TiC/Ni-50 vol.%TiC overcame this difficulty. The four-point bending strength of the joined specimen consisting of the three-layered FGM cermet and cast Ni-29 mol%Al alloy was 1010 MPa which is close to the result for a Ni-29 mol%Al alloy specimen.

  9. Physical properties and electronic structure of La3Co and La3Ni intermetallic superconductors

    NASA Astrophysics Data System (ADS)

    Strychalska, J.; Roman, M.; Sobczak, Z.; Wiendlocha, B.; Winiarski, M. J.; Ronning, F.; Klimczuk, T.

    2016-09-01

    La3Co and La3Ni are reported superconductors with transition temperatures of 4.5 and 6 K, respectively. Here, we reinvestigate the physical properties of these two intermetallic compounds with magnetic susceptibility χ, specific heat Cp and electrical resistivity ρ measurements down to 1.9 K. Although bulk superconductivity is confirmed in La3Co, as observed previously, only a trace of it is found in La3Ni, indicating that the superconductivity in La3Ni originates from an impurity phase. Superconducting state parameters for La3Co, including lower and upper critical fields and the superconducting gap, are estimated. Results of the theoretical calculations of the electronic structure for both materials are also presented, and comparison of the Fermi level location in La3Co versus La3Ni explains its larger superconducting Tc. A major discrepancy between band structure calculations and the experimentally measured Sommerfeld coefficient is found. The measured electronic density of states is about 2.5 times larger than the theoretical value for La3Co. This effect cannot be explained by the electron-phonon interaction alone. Renormalization of γ, as well as an ∼T2 behavior of the resistivity, suggests the presence of spin fluctuations in both systems.

  10. Intermetallic strengthened alumina-forming austenitic steels for energy applications

    NASA Astrophysics Data System (ADS)

    Hu, Bin

    In order to achieve energy conversion efficiencies of >50 % for steam turbines/boilers in power generation systems, materials required are strong, corrosion-resistant at high temperatures (>700°C), and economically viable. Austenitic steels strengthened with Laves phase and Ni3Al precipitates, and alloyed with aluminum to improve oxidation resistance, are potential candidate materials for these applications. The creep resistance of these alloys is significantly improved through intermetallic strengthening (Laves-Fe 2Nb + L12-Ni3Al precipitates) without harmful effects on oxidation resistance. This research starts with microstructural and microchemical analyses of these intermetallic strengthened alumina-forming austenitic steels in a scanning electron microscope. The microchemistry of precipitates, as determined by energy-dispersive x-ray spectroscopy and transmission electron microscope, is also studied. Different thermo-mechanical treatments were carried out to these stainless steels in an attempt to further improve their mechanical properties. The microstructural and microchemical analyses were again performed after the thermo-mechanical processing. Synchrotron X-ray diffraction was used to measure the lattice parameters of these steels after different thermo-mechanical treatments. Tensile tests at both room and elevated temperatures were performed to study mechanical behaviors of this novel alloy system; the deformation mechanisms were studied by strain rate jump tests at elevated temperatures. Failure analysis and post-mortem TEM analysis were performed to study the creep failure mechanisms of these alumina-forming austenitic steels after creep tests. Experiments were carried out to study the effects of boron and carbon additions in the aged alumina-forming austenitic steels.

  11. Life on Earth: From Chemicals in Space?

    ERIC Educational Resources Information Center

    Chemical and Engineering News, 1973

    1973-01-01

    Discusses experimental evidence for the existence of organic material in the solar system prior to the earth's formation. Indicates that the earth could have received much of its organic compounds from meteors falling on its primitive surface. (CC)

  12. The role of ALCHEMI in understanding the properties of ordered intermetallic alloys

    SciTech Connect

    Anderson, I.M.

    1998-11-01

    After one and one-half decades of development, ALCHEMI is approaching the status of an established analytical technique. Many of the problems that have plagued ALCHEMI, especially for the analysis of ordered intermetallic alloys, are now well understood, and accurate site-distributions can be extracted from a variety of intermetallic alloys. This paper begins with an overview of the factors that can lead to large systematic errors or gross misinterpretations of ALCHEMI data, with illustrations from a variety of ordered intermetallic alloys. The paper concludes with a discussion of ALCHEMI in the broader context of understanding the properties of ordered intermetallic alloys. The results of systematic studies are used to illustrate the role of ALCHEMI in determining the competing effects of thermodynamic and kinetic factors during alloy processing and the correlation of alloy properties with the atomic site distributions on which the properties ultimately depend.

  13. Biosignatures of early earths.

    PubMed

    Pilcher, Carl B

    2003-01-01

    A major goal of NASA's Origins Program is to find habitable planets around other stars and determine which might harbor life. Determining whether or not an extrasolar planet harbors life requires an understanding of what spectral features (i.e., biosignatures) might result from life's presence. Consideration of potential biosignatures has tended to focus on spectral features of gases in Earth's modern atmosphere, particularly ozone, the photolytic product of biogenically produced molecular oxygen. But life existed on Earth for about 1(1/2) billion years before the buildup of atmospheric oxygen. Inferred characteristics of Earth's earliest biosphere and studies of modern microbial ecosystems that share some of those characteristics suggest that organosulfur compounds, particularly methanethiol (CH(3)SH, the sulfur analog of methanol), may have been biogenic products on early Earth. Similar production could take place on extrasolar Earth-like planets whose biota share functional chemical characteristics with Earth life. Since methanethiol and related organosulfur compounds (as well as carbon dioxide) absorb at wavelengths near or overlapping the 9.6-microm band of ozone, there is potential ambiguity in interpreting a feature around this wavelength in an extrasolar planet spectrum. PMID:14678658

  14. Biosignatures of early earths

    NASA Technical Reports Server (NTRS)

    Pilcher, Carl B.

    2003-01-01

    A major goal of NASA's Origins Program is to find habitable planets around other stars and determine which might harbor life. Determining whether or not an extrasolar planet harbors life requires an understanding of what spectral features (i.e., biosignatures) might result from life's presence. Consideration of potential biosignatures has tended to focus on spectral features of gases in Earth's modern atmosphere, particularly ozone, the photolytic product of biogenically produced molecular oxygen. But life existed on Earth for about 1(1/2) billion years before the buildup of atmospheric oxygen. Inferred characteristics of Earth's earliest biosphere and studies of modern microbial ecosystems that share some of those characteristics suggest that organosulfur compounds, particularly methanethiol (CH(3)SH, the sulfur analog of methanol), may have been biogenic products on early Earth. Similar production could take place on extrasolar Earth-like planets whose biota share functional chemical characteristics with Earth life. Since methanethiol and related organosulfur compounds (as well as carbon dioxide) absorb at wavelengths near or overlapping the 9.6-microm band of ozone, there is potential ambiguity in interpreting a feature around this wavelength in an extrasolar planet spectrum.

  15. Biosignatures of Early Earths

    NASA Astrophysics Data System (ADS)

    Pilcher, C. B.

    2002-12-01

    A major long-term goal of NASA's Origins Program is to search for signs of life, i.e., biosignatures, on planets around other stars. The Terrestrial Planet Finder is planned to be the first Origins mission capable of detecting some potential biosignatures on Earth-size extrasolar planets. Consideration of these biosignatures has tended to focus on spectral features of gases present in Earth's modern atmosphere, particularly ozone, the photolytic product of biogenically produced oxygen. But it is generally believed that life existed on Earth for about 1-1/2 billion years before the atmosphere became oxygenated. Earth's earliest biosphere provides clues to potential biosignatures on Earth-like planets before oxygenic photosynthesis leads to a detectable oxygen signature. The close phylogenetic and biochemical relationships of methane generation and sulfur reduction (which produces H2S), two of the earliest terrestrial metabolisms, suggest that organo-sulfur compounds may have been among the products of early life on Earth. Detection of these compounds in a mildly reduced extrasolar planet atmosphere with significant quantities of methane may be an indicator of the presence of life.

  16. Biosignatures of early earths.

    PubMed

    Pilcher, Carl B

    2003-01-01

    A major goal of NASA's Origins Program is to find habitable planets around other stars and determine which might harbor life. Determining whether or not an extrasolar planet harbors life requires an understanding of what spectral features (i.e., biosignatures) might result from life's presence. Consideration of potential biosignatures has tended to focus on spectral features of gases in Earth's modern atmosphere, particularly ozone, the photolytic product of biogenically produced molecular oxygen. But life existed on Earth for about 1(1/2) billion years before the buildup of atmospheric oxygen. Inferred characteristics of Earth's earliest biosphere and studies of modern microbial ecosystems that share some of those characteristics suggest that organosulfur compounds, particularly methanethiol (CH(3)SH, the sulfur analog of methanol), may have been biogenic products on early Earth. Similar production could take place on extrasolar Earth-like planets whose biota share functional chemical characteristics with Earth life. Since methanethiol and related organosulfur compounds (as well as carbon dioxide) absorb at wavelengths near or overlapping the 9.6-microm band of ozone, there is potential ambiguity in interpreting a feature around this wavelength in an extrasolar planet spectrum.

  17. Earth Resources

    ERIC Educational Resources Information Center

    Brewer, Tom

    1970-01-01

    Reviews some of the more concerted, large-scale efforts in the earth resources areas" in order to help the computer community obtain insights into the activities it can jointly particpate in withthe earth resources community." (Author)

  18. Study of the feasibility of producing Al-Ni intermetallic compounds by mechanical alloying

    NASA Astrophysics Data System (ADS)

    Mohammed, Kahtan S.; Naeem, Haider T.; Iskak, Siti Nadira

    2016-08-01

    Mechanical alloying (MA) was employed to synthesize Al-Zn-Mg-Cu alloys of high weight percentage of the nickel component from the elemental powders of constituents via high-energy ball milling. The mixed powders underwent 15 h of milling time at 350 rpm speed and 10: 1 balls/powder weight ratio. The samples were cold-compacted and sintered thereafter. The sintered compacts underwent homogenization treatments at various temperatures conditions and were aged at 120°C for 24 h (T6). The milled powders and heat-treated Al alloy products were characterized via X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDS). The crystallite sizes and microstrains of the alloyed powder were estimated via measuring the broadening of XRD peaks using the Williamson-Hall equation. The results have revealed that optimum MA time of 15 h has led to the formation of Al-based solid solutions of Zn, Mg, Cu, and Ni. The outcomes showed that the Vickers hardness of the sintered Al-Zn-Mg-Cu compacts of Ni alloys was enhanced following aging at T6 tempering treatments. Higher compression strength of Al-alloys with the addition of 15% nickel was obtained next to the aging treatment.

  19. Exchange interactions in the intermetallic compounds GdCo 4-xNi xAl

    NASA Astrophysics Data System (ADS)

    Prasongkit, J.; Tang, I. M.

    2004-12-01

    The two sub-lattice model is modified to take into account the presence of two types of transition metal ions in GdCo4-xNixAl. An expression for magnetization is obtained and is used to fit the experimental results of Burzo and Pop (J. Magn. Magn. Mater. 196-97 (1999) 768)). From the values of the molecular field coefficients nij (i, j=Gd, Co or Ni), the values of the exchange interactions JGdGd, JGdCo, JGdNi, JCoCo, JCoNi and JNiNi were found. It is seen that three of them, JGdGd, JNiNi and JGdNi, exhibit clear exponential decreases as the Ni content increases; one of them, JCoCo, exhibits a clear exponential increase. The other two exchange interactions, JGdCo (JCoNi), appear to exhibit a parabolic (inverted parabolic) dependence on the Ni content.

  20. A Sodium-Containing Quasicrystal: Using Gold To Enhance Sodium's Covalency in Intermetallic Compounds

    SciTech Connect

    Smetana, Volodymyr; Lin, Qisheng; Pratt, Daniel K.; Kreyssig, Andreas; Ramazanoglu, Mehmet; Corbett, John D.; Goldman, Alan I.; Miller, Gordon J.

    2013-09-26

    Gold macht stabil: Na13Au12Ga15, ein natriumhaltiges thermodynamisch stabiles quasikristallines Material, wurde bei einer systematischen Studie des polaren Na-Au-Ga-Intermetallsystems entdeckt. Sein Elektron/Atom-Verhältnis von 1.75 ist für Bergman-Ikosaederphasen extrem klein, doch der substanzielle Au-Anteil sorgt für eine Hume-Rothery-Stabilisierung und neuartige polar-kovalente Na-Au-Wechselwirkungen.

  1. Processing Issues for Preliminary Melts of the Intermetallic Compound 60-NITINOL

    NASA Technical Reports Server (NTRS)

    Stanford, Malcolm K.; Thomas, Fransua; DellaCorte, Christopher

    2012-01-01

    The effect of various high temperature heat treatments and cooling rates on the hardness of cast 60-NITINOL (60wt%Ni- 40wt%Ti) was studied. The hardness ranged from approximately 33 HRC for annealed specimens to 63 HRC for water quenched specimens. Aging did not have a further effect on the hardness of the heat-treated and quenched material. The issue of material contamination and its possible effect on quench cracking during heat treatment above 1000 C was explored. The Charpy impact energy of the material was found to be relatively low (ranging from 0.4 to 1.0 J) and comparable to that of cast magnesium. Selection of service environments and applications for this material based on these findings should consider the processing route by which it was produced.

  2. Crystallographic features of the structure of a martensite packet of the NiMn intermetallic compound

    NASA Astrophysics Data System (ADS)

    Khlebnikova, Yu. V.; Egorova, L. Yu.; Rodionov, D. P.; Belosludtseva, E. S.; Kazantsev, V. A.

    2016-06-01

    Optical microscopy, scanning electron microscopy, and X-ray diffraction are used to show that a pseudosingle crystal forms upon cooling of an alloy Ni49Mn51 single crystal below the temperature of the β→θ (bcc → fct) transformation. At room temperature, this pseudosingle crystal has the structure of tetragonal L10 martensite with parameters a = 0.3732 nm and c = 0.3537 nm and a tetragonality c/ a = 0.94775. The temperatures of the forward and reverse B2 → L10 transformations are determined. The crystallographic features of martensite packet formation are analyzed. As shown by EBSD, neighboring martensite packets always have three kinds of tetragonal martensite plates, which are in a twin position and have different tetragonality axis directions. Repeated heating and quenching of the pseudosingle crystal result in recrystallization with the formation of coarse grains. The packet structure of the tetragonal martensite is retained in this case, and the sizes of the packets formed within a grain decrease by a factor of 2-3 as compared to the initial pseudosingle crystal.

  3. Rare earth thermoelectrics

    SciTech Connect

    Mahan, G.D.

    1997-09-01

    The author reviews the thermoelectric properties of metallic compounds which contain rare-earth atoms. They are the group of metals with the largest value ever reported of the Seebeck coefficient. An increase by 50% of the Seebeck would make these compounds useful for thermoelectric devices. The largest Seebeck coefficient is found for compounds of cerium (e.g., CePd{sub 3}) and ytterbium (e.g., YbAl{sub 3}). Theoretical predictions are in agreement with the maximum observed Seebeck. The author discusses the theoretical model which has been used to calculate the Seebeck coefficient. He is solving this model for other configurations (4f){sup n} of rare-earth ground states.

  4. Rapid Microwave Preparation of Thermoelectric TiNiSn and TiCoSb Half-Heusler Compounds

    SciTech Connect

    Birkel, Christina S.; Zeier, Wolfgang G.; Douglas, Jason E.; Lettiere, Bethany R.; Mills, Carolyn E.; Seward, Gareth; Birkel, Alexander; Snedaker, Matthew L.; Zhang, Yichi; Snyder, G. Jeffrey; Pollock, Tresa M.; Seshadri, Ram; Stucky, Galen D.

    2012-10-25

    The 18-electron ternary intermetallic systems TiNiSn and TiCoSb are promising for applications as high-temperature thermoelectrics and comprise earth-abundant, and relatively nontoxic elements. Heusler and half-Heusler compounds are usually prepared by conventional solid state methods involving arc-melting and annealing at high temperatures for an extended period of time. Here, we report an energy-saving preparation route using a domestic microwave oven, reducing the reaction time significantly from more than a week to one minute. A microwave susceptor material rapidly heats the elemental starting materials inside an evacuated quartz tube resulting in near single phase compounds. The initial preparation is followed by a densification step involving hot-pressing, which reduces the amount of secondary phases, as verified by synchrotron X-ray diffraction, leading to the desired half-Heusler compounds, demonstrating that hot-pressing should be treated as part of the preparative process. For TiNiSn, high thermoelectric power factors of 2 mW/mK{sup 2} at temperatures in the 700 to 800 K range, and zT values of around 0.4 are found, with the microwave-prepared sample displaying somewhat superior properties to conventionally prepared half-Heuslers due to lower thermal conductivity. The TiCoSb sample shows a lower thermoelectric figure of merit when prepared using microwave methods because of a metallic second phase.

  5. Molecular assembly and organic film growth on complex intermetallic surfaces

    NASA Astrophysics Data System (ADS)

    Al-Mahboob, Abdullah; Sharma, Hem Raj; Sadowski, Jerzy T.; Ledieu, Julian; Fournée, Vincent; McGrath, Ronan

    We extensively studied the role of molecular symmetry and symmetry/structures of wide ranges of substrate-surfaces from non-periodic to periodic to quasi-crystalline in nucleation, growth and phase transition in films made of organic molecular materials. Recently, most interest in quasicrystals is due to the generalization of aperiodic ordering to several classes of systems. Compared to periodic materials, these provide a closer approximation to an isotropic first Brillouin zone, which is of great importance to the design of new functional materials. Here, we present results obtained from our ongoing study of interface mediated molecular assembly extended on complex intermetallic surfaces with specific examples of C60 and Zn-phthalocyanine on quasicrystalline and approximant surfaces. We employed in-situ real-time low-energy electron microscopy (LEEM) for investigation of the processes in assembly and film growth and post-growth STM study and DFT calculations to understand structural details and growth mechanism. Research were carried out in part at the Center for Functional Nanomaterials, Brookhaven National Lab, USA; partly at Institut Jean Lamour, Université de Lorraine, France; and partly at the Surface Science Research Centre, University of Liverpool, UK.

  6. Processing and properties of molybdenum silicide intermetallics containing boron

    SciTech Connect

    Schneibel, J.H.; Liu, C.T.; Heatherly, L.; Wright, J.L.; Carmichael, C.A.

    1997-08-01

    Molybdenum-silicon-boron intermetallics with the composition Mo-10.5 Si-1.1 B, wt% (Mo-26.7 Si-7.3 B, at. %) were fabricated by several processing techniques. Powder processing (PM) resulted in macrocrack-free material containing no or only few microcracks. The PM materials contained quasi-equilibrium pores and large concentrations of oxygen. Average room temperature flexure strengths of 270 MPa were obtained. At 1,200 C in air, flexure strengths as high as 600 MPa were observed. These high values are attributed to crack healing and incipient plasticity. Ingot metallurgy (IM) materials contained much less oxygen than their PM counterparts. Depending on the cooling rate during solidification, they developed either mostly macrocracks or mostly microcracks. Due to the high flaw densities, the room temperature flexure strengths were only of the order of 100 MPa. However, the flexure strengths at 1,200 C were up to 3 times higher than those at room temperature. Again, this is attributed to crack healing and incipient plasticity. The IM materials will require secondary processing to develop their full potential. A preliminary examination of secondary processing routes included isothermal forging and hot extrusion.

  7. Determination of site-occupancies in aluminide intermetallics by ALCHEMI

    SciTech Connect

    Anderson, I.M.; Bentley, J.; Duncan, A.J.

    1995-04-01

    The site-distributions of Fe in four B2-ordered NiAl-based alloys with Fe concentrations of 10%, 2%, and 0.5% have been determined by ALCHEMI (atom-location by channeling-enhanced microanalysis). Site-distributions have been extracted with standard errors between {approximately} 1.5% (10% Fe concentration) and {approximately} 6% (0.5% Fe concentration). The results show that Fe has no strong site-preference in NiAl and tends to reside on the site of the stoichiometrically deficient host element. An improved ALCHEMI analysis procedure is outlined. The analysis explicitly addresses the phenomenon of ionization delocalization, which previously complicated the determination of site-distributions in aluminide intermetallics, leading to inaccurate and oftentimes nonphysical results. The improved ALCHEMI analysis also addresses the presence of anti-site defects. The data acquisition conditions have been optimized to minimize the sources of statistical and systematic error. This optimized procedure should be suitable for all analyses of B2-ordered alloys. Several analyses at different channeling orientations show that the extracted site-occupancies are robust as long as the data are acquired at orientations that are remote from any major pole of the crystal.

  8. Effect of Y2O3 and TiC Reinforcement Particles on Intermetallic Formation and Hardness of Al6061 Composites via Mechanical Alloying and Sintering

    NASA Astrophysics Data System (ADS)

    Chen, Chun-Liang; Lin, Chen-Han

    2015-08-01

    Al6061-based composites reinforced with 2 wt pctY2O3 and 2 wt pctTiC particles produced by mechanical alloying were investigated. The reinforced particles play important roles in the microstructural development and in determining the properties of the alloys. High-energy ball milling can facilitate a solid-state reaction between reinforced particles and the Al matrix, and the reaction kinetics of atomic diffusion can be accelerated enormously by subsequent sintering processing. As a result, complex intermetallic compounds and oxide particles can be formed in the alloy. In this study, the effect of reinforcement on phase formation and mechanical properties of Al6061-based composites has been examined. The results suggest that nano-Y2O3 particles can act as nucleation sites to facilitate formation of Al-Si-Y-O-based oxide particles. The addition of TiC particles can effectively refine the grain structure and encourage formation of iron-rich intermetallic compounds. Nanoindentation was used to understand the local variations in mechanical properties of the Al6061-based composites.

  9. Mixed-metal flux synthesis of quaternary RMn 2Tr xZn 20-x compounds with Tr=Al, In

    NASA Astrophysics Data System (ADS)

    Benbow, Evan M.; Latturner, Susan E.

    2006-12-01

    Eighteen new intermetallic compounds RMn 2Tr xZn 20-x (2< x<7; R=rare-earth metal; Tr=Al, In) were synthesized using low-melting mixtures of ( Tr/Zn) as a solvent. Structural refinement using single-crystal X-ray diffraction data shows that the compounds are substituted variants of the cubic CeCr 2Al 20-type structure ( Fd-3 m, Z=8; unit cell parameters vary from a=14.1152(3)Å for YbMn 2Al 5.3Zn 14.7 to a=14.8125(4)Å for SmMn 2In 5.9Zn 14.1). The Zn and Tr elements show site preferences in the indium compounds, but not in the aluminum analogs. The substitution of trielide element for zinc modifies the valence electron count of the compounds to allow for the incorporation of Mn into the structure. Magnetic susceptibility data show no evidence of magnetic ordering down to 3 K.

  10. Discover Earth

    NASA Technical Reports Server (NTRS)

    Steele, Colleen

    1998-01-01

    Discover Earth is a NASA-sponsored project for teachers of grades 5-12, designed to: (1) enhance understanding of the Earth as an integrated system; (2) enhance the interdisciplinary approach to science instruction; and (3) provide classroom materials that focus on those goals. Discover Earth is conducted by the Institute for Global Environmental Strategies in collaboration with Dr. Eric Barron, Director, Earth System Science Center, The Pennsylvania State University; and Dr. Robert Hudson, Chair, the Department of Meteorology, University of Maryland at College Park. The enclosed materials: (1) represent only part of the Discover Earth materials; (2) were developed by classroom teachers who are participating in the Discover Earth project; (3) utilize an investigative approach and on-line data; and (4) can be effectively adjusted to classrooms with greater/without technology access. The Discover Earth classroom materials focus on the Earth system and key issues of global climate change including topics such as the greenhouse effect, clouds and Earth's radiation balance, surface hydrology and land cover, and volcanoes and climate change. All the materials developed to date are available on line at (http://www.strategies.org) You are encouraged to submit comments and recommendations about these materials to the Discover Earth project manager, contact information is listed below. You are welcome to duplicate all these materials.

  11. Electromigration effect on intermetallic growth and Young's modulus in SAC solder joint

    NASA Astrophysics Data System (ADS)

    Xu, Luhua; Pang, John H. L.; Ren, Fei; Tu, K. N.

    2006-12-01

    Solid-state intermetallic compound (IMC) growth behavior plays and important role in solder joint reliability of electronic packaging assemblies. The directional impact of electromigration (EM) on the growth of interfacial IMCs in Ni/SAC/Ni, Cu/SAC/Ni single BGA ball solder joint, and fine pitch ball-grid-array (FPBGA) at the anode and cathode sides is reported in this study. When the solder joint was subjected to a current density of 5,000 A/cm2 at 125°C or 150°C, IMC layer growth on the anode interface was faster than that on the cathode interface, and both were faster than isothermal aging due to the Joule heating effect. The EM affects the IMC growth rate, as well as the composition and mechanical properties. The Young’s modulus and hardness were measured by the nanoindentation continuous stiffness measurement (CSM) from planar IMC surfaces after EM exposure. Different values were observed at the anode and cathode. The energy-dispersive x-ray (EDX) line scan analysis was conducted at the interface from the cathode to anode to study the presence of species; Ni was found in the anode IMC at SAC/Cu in the Ni/SAC/Cu joint, but not detected when the current was reverse. Electron-probe microanalysis (EPMA) measurement on the Ni/SAC/Ni specimen also confirmed the polarized Ni and Cu distributions in cathode and anode IMCs, which were (Ni0.57Cu0.43)3Sn4 and (Cu0.73Ni0.27)6Sn5, respectively. Thus, the Young’s moduli of the IMC are 141 and 175 GPa, respectively.

  12. Ternary rare earth-lanthanide sulfides

    DOEpatents

    Takeshita, Takuo; Gschneidner JR., Karl A.; Beaudry, Bernard J.

    1987-01-06

    A new ternary rare earth sulfur compound having the formula: where M is a rare earth element selected from the group europium, samarium and ytterbium and x=0.15 to 0.8. The compound has good high-temperature thermoelectric properties and exhibits long-term structural stability up to 1000.degree. C.

  13. Superconducting compounds and alloys research

    NASA Technical Reports Server (NTRS)

    Otto, G.

    1975-01-01

    Resistivity measurements as a function of temperature were performed on alloys of the binary material system In sub(1-x) Bi sub x for x varying between 0 and 1. It was found that for all single-phase alloys (the pure elements, alpha-In, and the three intermetallic compounds) at temperatures sufficiently above the Debye-temperature, the resistivity p can be expressed as p = a sub o T(n), where a sub o and n are composition-dependent constants. The same exponential relationship can also be applied for the sub-system In-In2Bi, when the two phases are in compositional equilibrium. Superconductivity measurements on single and two-phase alloys can be explained with respect to the phase diagram. There occur three superconducting phases (alpha-In, In2Bi, and In5Bi3) with different transition temperatures in the alloying system. The magnitude of the transition temperatures for the various intermetallic phases of In-Bi is such that the disappearance or occurrence of a phase in two component alloys can be demonstrated easily by means of superconductivity measurements.

  14. Rare earths, the lanthanides, yttrium and scandium

    USGS Publications Warehouse

    Hedrick, J.B.

    2006-01-01

    In 2005, rare earths were not mined in the United States. The major supplier, Molycorp, continued to maintain a large stockpile of rare-earth concentrates and compounds. Consumption decreased of refined rare-earth products. The United States remained a major importer and exporter of rare earths in 2005. During the same period, yttrium was not mined or refined in the US. Hence, supply of yttrium compounds for refined yttrium products came from China, France and Japan. Scandium was not also mined. World production was primarily in China, Russia and Ukraine. Demand for rare earths in 2006 is expected to be closely tied to economic conditions in the US.

  15. Pesting of the high-temperature intermetallic MoSi2

    NASA Astrophysics Data System (ADS)

    Chou, T. C.; Nieh, T. G.

    1993-12-01

    Degradation resulting from environmental effects on the properties of high-temperature intermetallics has recently stimulated much interest in the materials science community. Most notably, iron, nickel, and titanium aluminides were found to be more ductile at room temperature when tested in vacuum or dry oxygen as compared to laboratory air. Environmental oxidation can also degrade materials to a measurable, sometimes catastrophic, extent. For example, an important oxidation-induced degradation phenomenon observed in intermetallics is pest disintegration. It was first observed in molybdenum disilicide in 1955. Since then, pest disintegration has been reported in many intermetallics, including silicides, aluminides, and beryllides. This article examines the pesting of MoSi2 and presents kinetic processes responsible for pesting.

  16. Intermetallic negative electrodes for non-aqueous lithium cells and batteries

    DOEpatents

    Thackeray, Michael M.; Vaughey, John T.; Johnson, Christopher S.; Fransson, Linda M.; Edstrom, Ester Kristina; Henriksen, Gary

    2004-05-04

    A method of operating an electrochemical cell is disclosed. The cell has an intermetallic negative electrode of Cu.sub.6-x M.sub.x Sn.sub.5, wherein x is .ltoreq.3 and M is one or more metals including Si and a positive electrode containing Li in which Li is shuttled between the positive electrode and the negative electrode during charge and discharge to form a lithiated intermetallic negative electrode during charge. The voltage of the electrochemical cell is controlled during the charge portion of the charge-discharge cycles so that the potential of the lithiated intermetallic negative electrode in the fully charged electrochemical cell is less than 0.2 V but greater than 0 V versus metallic lithium.

  17. Method of treating intermetallic alloy hydrogenation/oxidation catalysts for improved impurity poisoning resistance, regeneration and increased activity

    DOEpatents

    Wright, Randy B.

    1992-01-01

    Alternate, successive high temperature oxidation and reduction treatments, in either order, of intermetallic alloy hydrogenation and intermetallic alloy oxidation catalysts unexpectedly improves the impurity poisoning resistance, regeneration capacity and/or activity of the catalysts. The particular alloy, and the final high temperature treatment given alloy (oxidation or reduction) will be chosen to correspond to the function of the catalyst (oxidation or hydrogenation).

  18. Experimental and theoretical investigations of the polar intermetallics SrPt3Al2 and Sr2Pd2Al

    NASA Astrophysics Data System (ADS)

    Stegemann, Frank; Benndorf, Christopher; Touzani, Rachid St.; Fokwa, Boniface P. T.; Janka, Oliver

    2016-10-01

    SrPt3Al2, a CaCu5 relative (P6/mmm; a = 566.29(3), c = 389.39(3) pm; wR2 = 0.0202, 121 F2 values, 9 parameters), and Sr2Pd2Al, isostructural to Ca2Pt2Ge (Fdd2; a = 1041.45(5), b = 1558.24(7), c = 604.37(3) pm; wR2 = 0.0291, 844 F2 values, 25 parameters) have been prepared from the elements. The crystal structures have been investigated by single crystal X-ray diffraction. Structural relaxation confirmed the electronic stability of SrPt3Al2, while orthorhombic Sr2Pd2Al might be a metastable polymorph as it is energetically competitive to its monoclinic variant. Both compounds are predicted to be metallic conductors as their density-of-states (DOS) are non-zero at the Fermi level. COHP bonding analysis coupled with Bader effective charge analysis suggest that the title compounds are polar intermetallic phases in which strong Pt-Al and Pd-Al covalent bonds are present, while a significant electron transfer from Sr atoms to the [Pt3Al2]δ- or [Pd2Al]δ- network is found.

  19. Earth tides

    SciTech Connect

    Harrison, J.C.

    1984-01-01

    Nineteen papers on gravity, tilt, and strain tides are compiled into this volume. Detailed chapters cover the calculation of the tidal forces and of the Earth's response to them, as well as actual observations of earth tides. Partial Contents: On Earth tides. The tidal forces: Tidal Forces. New Computations of the Tide-Generating Potential. Corrected Tables of Tidal Harmonics. The Theory of Tidal Deformations. Body Tides on an Elliptical, Rotating, Elastic and Oceanless Earth, Deformation of the Earth by Surface Loads. Gravimetric Tidal Loading Computed from Integrated Green's Functions. Tidal Friction in the Solid Earth. Loading Tides Versus Body Tides. Lunar Tidal Acceleration from Earth Satellite Orbit Analysis. Observations: gravity. Tidal Gravity in Britain: Tidal Loading and the Spatial Distribution of the Marine Tide. Tidal Loading along a Profile Europe-East Africa-South Asia-Australia and the Pacific Ocean. Detailed Gravity-Tide Spectrum between One and Four Cycles per Day. Observations: tilt and strain. Cavity and Topographic Effects in Tilt and Strain Measurement. Observations of Local Elastic Effects on Earth Tide Tilts and Strains.

  20. Formation of Intermetallic Ni-Al Coatings by Mechanical Alloying with Different Intensities

    NASA Astrophysics Data System (ADS)

    Zadorozhnyy, V. Yu.; Kaloshkin, S. D.; Churyukanova, M. N.; Borisova, Yu. V.

    2013-04-01

    Intermetallic Ni-Al coatings on the Ni substrate were prepared by the mechanical alloying (MA) method in mechanical activators of vibratory and planetary type. It was found that coatings that were fabricated in a high-energy (planetary) activator in comparison with those fabricated in a low-energy (vibratory) activator are more homogeneous, have higher density, and experience better adhesion to the substrate. It was shown that different intermetallic phases (NiAl, NiAl3, and Ni2Al3) can form directly during the MA treatment in the planetary activator.

  1. Insight into structural, mechanical, electronic and thermodynamic properties of intermetallic phases in Zr-Sn system from first-principles calculations

    NASA Astrophysics Data System (ADS)

    Liu, Shuai; Zhan, Yongzhong; Wu, Junyan; Wei, Xuanchen

    2015-11-01

    The structural, phase stabilities, mechanical, electronic and thermodynamic properties of intermetallic phases in Zr-Sn system are investigated by using first-principles method. The equilibrium lattice constants, enthalpy of formation (ΔHform) and elastic constants are obtained and compared with available experimental and theoretical data. The configuration of Zr4Sn is measured with reasonable precision. The ΔHform of five hypothetical structures are obtained in order to find possible metastable phase for Zr-Sn system. The mechanical properties, including bulk modulus, shear modulus, Young's modulus and Poisson's ratio, are calculated by Voigt-Reuss-Hill approximation and the Zr5Sn4 and Zr5Sn3 show excellent mechanical properties. The electronic density of states for Zr5Sn4, Zr5Sn3 and cP8-Zr3Sn are calculated to further investigate the stability of intermetallic compounds. Through the quasi-harmonic Debye model, the Debye temperature, heat capacity and thermal expansion coefficient under temperature of 0-300 K and pressure of 0-50 GPa for Zr5Sn3 and Zr5Sn4 are deeply investigated.

  2. Slater-Pauling behavior within quaternary intermetallic borides of the Ti{sub 3}Co{sub 5}B{sub 2} structure-type

    SciTech Connect

    Burghaus, Jens; Dronskowski, Richard; Miller, Gordon J.

    2009-10-15

    First-principles, density-functional studies of several intermetallic borides of the general type M{sub 2}M'Ru{sub 5-n}Rh{sub n}B{sub 2} (n=0-5; M=Sc, Ti, Nb; M'=Fe, Co) show that the variation in saturation magnetic moment with valence-electron count follows a Slater-Pauling curve, with a maximum moment occurring typically at 66 valence electrons. The magnetic moments in these compounds occur primarily from the 3d electrons of the magnetically active M' sites, with some contribution from the Ru/Rh sites via magnetic polarization. Electronic DOS curves reveal that a rigid-band approach is a reasonable approximation for the estimation of saturation moments and the analysis of orbital interactions in this family of complex borides. COHP analyses of the M'-M' orbital interactions indicate optimized interactions in the minority spin states for Co-containing phases, but strong bonding interactions remaining in Fe-containing phases. - Graphical abstract: Theoretically determined (spin-polarized LMTO-GGA) local magnetic moments as a function of the chemical valence Z for various intermetallic borides.

  3. Chemical bonding in equiatomic cerium intermetallics - The case of CeMgSn, CePdSn, and CeMgPb

    NASA Astrophysics Data System (ADS)

    Matar, Samir F.; Pöttgen, Rainer

    2015-10-01

    The electronic and magnetic structures and the properties of chemical bonding in isopointal CeMgSn and CePdSn (both phases belong to the family of TiNiSi related intermetallics, space group Pnma) and CeMgPb belonging to the family of CeScSi intermetallics, space group I4/mmm, have been investigated within the density functional theory (DFT). The charge analyses indicate negatively charged tin and lead leading to assign the compounds as stannides and plumbides, as also illustrated by the mapping of the electron localization function ELF. Calculations within spin-degenerate non-magnetic spin-polarized ferro- (SP-F) and SP-antiferromagnetic configurations led to assign a major role of Ce 4f states in the onset of ordered moments within SP-AF ground states from energy differences. Chemical bonding analyses from crystal orbital overlap populations revealed the strongest interactions for Ce-Sn in CeMgSn, Ce-Pb in CeMgPb, and Ce-Pd in CePdSn.

  4. Magnesium substitutions in rare-earth metal germanides with the Gd5Si4 type. Synthesis, structure determination and magnetic properties of RE5-xMgxGe4 (RE=Gd-Tm, Lu and Y)

    SciTech Connect

    Sarrao, J L; Thompson, Joe D; Tobash, P H; Bobev, S

    2009-01-01

    A series of magnesium-substituted rare-earth metal germanides with a general formula RE{sub 5-x}Mg{sub x}Ge{sub 4} (x {approx} 1.0-2.3; RE =Gd-Tm, Lu, Y) have been synthesized by high-temperature reactions and structurally characterized by single-crystal X-ray diffraction. These compounds crystallize with the common Gd{sub 5}Si{sub 4} type in the orthorhombic space group Pnma (No. 62; Z =4; Pearson's code oP36) and do not appear to undergo temperature-induced crystallographic phase transitions down to 120 K. Replacing rare-earth metal atoms with Mg, up to nearly 45 % at., reduces the valence electron count and is clearly expressed in the subtle changes of the Ge-Ge and metal-metal bonding. Magnetization measurements as a function of the temperature and the applied field reveal complex magnetic structures at cryogenic temperatures, and Curie-Weiss paramagnetic behavior at higher temperatures. The observed local moment magnetism is consistent with RE+ ground states in all cases. In the magnetically ordered phases, the magnetization cannot reach saturation in fields up to 50 kOe. The structural trends across the series and the variations of hte magnetic properties as a function of the Mg content are also discussed. KEYWORDS: Rare-earth intermetallics, germanides, crystal structure,Gd{sub 5}Si{sub 4} type.

  5. Discover Earth

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Discover Earth is a NASA-funded project for teachers of grades 5-12 who want to expand their knowledge of the Earth system, and prepare to become master teachers who promote Earth system science in their own schools, counties, and throughout their state. Participants from the following states are invited to apply: Connecticut, Delaware, Maine, Maryland, Massachusetts, New Hampshire, New Jersey, New York, Pennsylvania, Rhode Island, Vermont, and Washington, DC. Teachers selected for the project participate in a two-week summer workshop conducted at the University of Maryland, College Park; develop classroom-ready materials during the workshop for broad dissemination; conduct a minimum of two peer training activities during the coming school year; and participate in other enrichment/education opportunities as available and desired. Discover Earth is a team effort that utilizes expertise from a range of contributors, and balances science content with hands-on classroom applications.

  6. Discover Earth

    NASA Technical Reports Server (NTRS)

    Steele, Colleen

    1996-01-01

    Discover Earth is a NASA-funded project for teachers of grades 5-12 who want to expand their knowledge of the Earth system, and prepare to become master teachers who promote Earth system science in their own schools, counties, and throughout their state. Participants from the following states are invited to apply: Connecticut, Delaware, Maine, Maryland, Massachusetts, New Hampshire, New Jersey, New York, Pennsylvania, Rhode Island, Vermont, and Washington, DC. Teachers selected for the project participate in a two-week summer workshop conducted at the University of Maryland, College Park; develop classroom-ready materials during the workshop for broad dissemination; conduct a minimum of two peer training activities during the coming school year; and participate in other enrichment/education opportunities as available and desired. Discover Earth is a team effort that utilizes expertise from a range of contributors, and balances science content with hands-on classroom applications.

  7. Study of Intermetallic Growth and Kinetics in Fine-Pitch Lead-Free Solder Bumps for Next-Generation Flip-Chip Assemblies

    NASA Astrophysics Data System (ADS)

    Tian, Ye; Chow, Justin; Liu, Xi; Wu, Yi Ping; Sitaraman, Suresh K.

    2013-02-01

    With continued advances in microelectronics, it is anticipated that next-generation microelectronic assemblies will require a reduction of the flip-chip solder bump pitch to 100 μm or less from the current industrial practice of 130 μm to 150 μm. With this reduction in pitch size, and thus in bump height and diameter, the interaction between die pad metallurgy and substrate pad metallurgy becomes more critical due to the shorter diffusion path and greater stress. Existing literature has not addressed such metallurgical interaction in actual fine-pitch flip-chip assemblies. This work studies intermetallic growth and kinetics in fine-pitch lead-free solder bumps through thermal aging of flip-chip assemblies. Based on this study, it is seen that Ni from the die pad diffuses to the substrate pad region and Cu from the substrate pad diffuses to the die pad region, thus the resulting intermetallic compounds at the die and substrate pad regions are influenced by the other pad as well. Such cross-pad interaction is much stronger in fine-pitch solder bumps with smaller standoff height. It is seen that the die pad region contains Ni3P and (Cu,Ni)6Sn5 after thermal aging, while the substrate pad region contains Cu3Sn and (Cu,Ni)6Sn5. By digitally measuring the thickness of the interfacial phases, the kinetics parameters and the activation energy were calculated for the growth of (Cu,Ni)6Sn5 on the substrate side. The Cu diffusion coefficient through the intermetallic compound (IMC) layer was found to be 0.03370 μm2/h, 0.1423 μm2/h, and 0.4463 μm2/h at 100°C, 125°C, and 150°C, respectively, and the apparent activation energy for the growth of compound layers was 67.89 kJ/mol.

  8. Earth Rotation

    NASA Technical Reports Server (NTRS)

    Dickey, Jean O.

    1995-01-01

    The study of the Earth's rotation in space (encompassing Universal Time (UT1), length of day, polar motion, and the phenomena of precession and nutation) addresses the complex nature of Earth orientation changes, the mechanisms of excitation of these changes and their geophysical implications in a broad variety of areas. In the absence of internal sources of energy or interactions with astronomical objects, the Earth would move as a rigid body with its various parts (the crust, mantle, inner and outer cores, atmosphere and oceans) rotating together at a constant fixed rate. In reality, the world is considerably more complicated, as is schematically illustrated. The rotation rate of the Earth's crust is not constant, but exhibits complicated fluctuations in speed amounting to several parts in 10(exp 8) [corresponding to a variation of several milliseconds (ms) in the Length Of the Day (LOD) and about one part in 10(exp 6) in the orientation of the rotation axis relative to the solid Earth's axis of figure (polar motion). These changes occur over a broad spectrum of time scales, ranging from hours to centuries and longer, reflecting the fact that they are produced by a wide variety of geophysical and astronomical processes. Geodetic observations of Earth rotation changes thus provide insights into the geophysical processes illustrated, which are often difficult to obtain by other means. In addition, these measurements are required for engineering purposes. Theoretical studies of Earth rotation variations are based on the application of Euler's dynamical equations to the problem of finding the response of slightly deformable solid Earth to variety of surface and internal stresses.

  9. Earth materials and earth dynamics

    SciTech Connect

    Bennett, K; Shankland, T.

    2000-11-01

    In the project ''Earth Materials and Earth Dynamics'' we linked fundamental and exploratory, experimental, theoretical, and computational research programs to shed light on the current and past states of the dynamic Earth. Our objective was to combine different geological, geochemical, geophysical, and materials science analyses with numerical techniques to illuminate active processes in the Earth. These processes include fluid-rock interactions that form and modify the lithosphere, non-linear wave attenuations in rocks that drive plate tectonics and perturb the earth's surface, dynamic recrystallization of olivine that deforms the upper mantle, development of texture in high-pressure olivine polymorphs that create anisotropic velocity regions in the convecting upper mantle and transition zone, and the intense chemical reactions between the mantle and core. We measured physical properties such as texture and nonlinear elasticity, equation of states at simultaneous pressures and temperatures, magnetic spins and bonding, chemical permeability, and thermal-chemical feedback to better characterize earth materials. We artificially generated seismic waves, numerically modeled fluid flow and transport in rock systems and modified polycrystal plasticity theory to interpret measured physical properties and integrate them into our understanding of the Earth. This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL).

  10. Modification of Surface Layers by Surfacing Intermetallic Coatings with Variable Properties

    NASA Astrophysics Data System (ADS)

    Makeev, D. N.; Zakharov, O. V.; Vinogradov, A. N.; Kochetkov, A. V.

    2016-02-01

    The paper considers the possibility of forming coating layers for parts within wide limits of microhardness. The technology uses surfacing of intermetallic coatings provided by a unique experimental setup. Theoretical and experimental dependence of the coating layer microhardness on the filler concentration using the changes in the speed of the filler wire feed and current intensity were determined.

  11. Synthesis and Modeling of Hollow Intermetallic Ni-Zn Nanoparticles Formed by the Kirkendall Effect

    SciTech Connect

    Jana, Subhra; Chang, Ji Woong; Rioux, Robert M.

    2013-10-09

    Intermetallic Ni–Zn nanoparticles (NPs) were synthesized via the chemical conversion of nickel NPs using a zerovalent organometallic zinc precursor. After the injection of a diethylzinc solution, Ni NPs progressively transformed from a solid to a hollow Ni–Zn intermetallic structure with time. During the transformation of Ni NPs to intermetallic structures, they retained their overall spherical morphology. The growth mechanism for the solid-to-hollow nanoparticle transformation is ascribed to the nanoscale Kirkendall effect due to unequal diffusion rates of Ni and Zn. We develop a diffusion model for nonreactive, homogeneous, diffusion-controlled intermetallic hollow NP formation including moving boundaries at the interfaces of void–solid and solid–bulk solutions. Apparent diffusion coefficients for both metals and vacancy were evaluated from modeling the time-dependent growth of the void. The apparent diffusion coefficients obtained in this system compared favorably with results from measurement at grain boundaries in bulk Ni–Zn. This study represents the first combined experimental modeling of the formation of hollow nanostructures by the nanoscale Kirkendall effect.

  12. Investigation of Laser Generation and Detection of Ultrasound in Ceramic Matrix Composites and Intermetallics

    NASA Technical Reports Server (NTRS)

    Ehrlich, Michael J.

    1998-01-01

    The goal of this program is to assess the feasibility of using laser based ultrasonic techniques for inspecting and characterizing materials of interest to NASA, specifically those used in propulsion and turbomachinery applications, such as ceramic composites, metal matrix composites, and intermetallics.

  13. Advances in nanoscale alloys and intermetallics: low temperature solution chemistry synthesis and application in catalysis.

    PubMed

    Jana, Subhra

    2015-11-21

    Based on the bottom-up chemistry techniques, the size, shape, and composition controlled synthesis of nanoparticles can now be achieved uniformly, which is of great importance to the nanoscience community as well as in modern catalysis research. The low-temperature solution-phase synthesis approach represents one of the most attractive strategies and has been utilized to synthesize nanoscale metals, alloys and intermetallics, including a number of new metastable phases. This perspective will highlight the solution-based nanoparticle synthesis techniques, a low-temperature platform, for the synthesis of size and shape-tunable nanoscale transition metals, alloys, and intermetallics from the literature, keeping a focus on the utility of these nanomaterials in understanding the catalysis. For each solution-based nanoparticle synthesis technique, a comprehensive overview has been given for the reported nanoscale metals, alloys, and intermetallics, followed by critical comments. Finally, their enhanced catalytic activity and durability as novel catalysts have been discussed towards several hydrogenation/dehydrogenation reactions and also for different inorganic to organic reactions. Hence, the captivating advantages of this controllable low-temperature solution chemistry approach have several important implications and together with them this approach provides a promising route to the development of next-generation nanostructured metals, alloys, and intermetallics since they possess fascinating properties as well as outstanding catalytic activity. PMID:26477400

  14. Ni.sub.3 Al-based intermetallic alloys having improved strength above 850.degree. C.

    DOEpatents

    Liu, Chain T.

    2000-01-01

    Intermetallic alloys composed essentially of: 15.5% to 17.0% Al, 3.5% to 5.5% Mo, 4% to 8% Cr, 0.04% to 0.2% Zr, 0.04% to 1.5% B, balance Ni, are characterized by melting points above 1200.degree. C. and superior strengths at temperatures above 1000.degree. C.

  15. Epitaxial growth of intermetallic MnPt films on oxides and large exchange bias

    DOE PAGESBeta

    Liu, Zhiqi; Biegalski, Michael D.; Hsu, Shang-Lin; Shang, Shunli; Marker, Cassie; Liu, Jian; Li, Li; Fan, Lisha S.; Meyer, Tricia L.; Wong, Anthony T.; et al

    2015-11-05

    High-quality epitaxial growth of intermetallic MnPt films on oxides is achieved, with potential for multiferroic heterostructure applications. Antisite-stabilized spin-flipping induces ferromagnetism in MnPt films, although it is robustly antiferromagnetic in bulk. Thus, highly ordered antiferromagnetic MnPt films exhibit superiorly large exchange coupling with a ferromagnetic layer.

  16. Bergman Clusters, Multiple Bonds, and Defect Planes: Synthetic Outcomes of Chemical Frustration in Ternary Intermetallic Systems

    NASA Astrophysics Data System (ADS)

    Hadler, Amelia Beth

    Intermetallics crystallize in a variety of complex structures, many of which show unusual bonding or intriguing properties. Understanding what factors drive this structural chemistry would be a valuable step towards designing new intermetallics with specific structures or properties. One pathway towards understanding and predicting the structures of complex intermetallics is chemical frustration, a design tool which harnesses competition between incompatible bonding or packing modes to induce complexity in ternary intermetallic systems. The research outlined in this thesis focuses on developing chemical frustration through exploratory synthesis in ternary systems designed to induce frustration between the tetrahedral close packing of many intermetallics and the simple cubic packing seen for ionic salts or elemental metals. Syntheses in three systems yielded six new ternary intermetallics, four of which crystallize in novel structure types. Three were discovered in the Ca-Cu-Cd system: Ca5Cu2Cd and Ca2Cu 2Cd9, which adopt ternary variants of binary structures, and Ca10Cu2Cd27, which crystallizes in a new structure built from Bergman clusters. All three structures can be traced to electronic packing frustration induced by the similar electronegativities but different metallic radii of Cu and Cd. The Gd-Fe-C system yielded the new carbometalate Gd13Fe 10C13 and an oxycarbide derivative. These phases crystallize in structures built from Gd tricapped trigonal prisms interpenetrated by an Fe-C network. Theoretical analyses reveal that Fe-Fe and Fe-C multiple bonding is found throughout this network. A theoretical investigation of similar carbides uncovers additional metal-metal, metal-carbon, and carbon-carbon multiple bonding. This unusual bonding stabilizes the carbides by satisfying preferred electron counts for their transition metal sites. One new phase, Mg4.5Pd5Ge1.5, was found in the Mg-Pd-Ge system. Its structure is closely related to the CsCl-type structure of

  17. Earth: Earth Science and Health

    NASA Technical Reports Server (NTRS)

    Maynard, Nancy G.

    2001-01-01

    A major new NASA initiative on environmental change and health has been established to promote the application of Earth science remote sensing data, information, observations, and technologies to issues of human health. NASA's Earth Sciences suite of Earth observing instruments are now providing improved observations science, data, and advanced technologies about the Earth's land, atmosphere, and oceans. These new space-based resources are being combined with other agency and university resources, data integration and fusion technologies, geographic information systems (GIS), and the spectrum of tools available from the public health community, making it possible to better understand how the environment and climate are linked to specific diseases, to improve outbreak prediction, and to minimize disease risk. This presentation is an overview of NASA's tools, capabilities, and research advances in this initiative.

  18. Influence of Dopant on Growth of Intermetallic Layers in Sn-Ag-Cu Solder Joints

    NASA Astrophysics Data System (ADS)

    Li, G. Y.; Bi, X. D.; Chen, Q.; Shi, X. Q.

    2011-02-01

    The interfacial interaction between Cu substrates and Sn-3.5Ag-0.7Cu- xSb ( x = 0, 0.2, 0.5, 0.8, 1.0, 1.5, and 2.0) solder alloys has been investigated under different isothermal aging temperatures of 100°C, 150°C, and 190°C. Scanning electron microscopy (SEM) was used to measure the thickness of the intermetallic compound (IMC) layer and observe the microstructural evolution of the solder joints. The IMC phases were identified by energy-dispersive x-ray spectroscopy (EDX) and x-ray diffractometry (XRD). The growth of both the Cu6Sn5 and Cu3Sn IMC layers at the interface between the Cu substrate and the solder fits a power-law relationship with the exponent ranging from 0.42 to 0.83, which suggests that the IMC growth is primarily controlled by diffusion but may also be influenced by interface reactions. The activation energies and interdiffusion coefficients of the IMC formation of seven solder alloys were determined. The addition of Sb has a strong influence on the growth of the Cu6Sn5 layer, but very little influence on the formation of the Cu3Sn IMC phase. The thickness of the Cu3Sn layer rapidly increases with aging time and temperature, whereas the thickness of the Cu6Sn5 layer increases slowly. This is probably due to the formation of Cu3Sn at the interface between two IMC phases, which occurs with consumption of Cu6Sn5. Adding antimony to Sn-3.5Ag-0.7Cu solder can evidently increase the activation energy of Cu6Sn5 IMC formation, reduce the atomic diffusion rate, and thus inhibit excessive growth of Cu6Sn5 IMCs. This study suggests that grain boundary pinning is one of the most important mechanisms for inhibiting the growth of Cu6Sn5 IMCs in such solder joints when Sb is added.

  19. Whisker formation in Sn and Pb-Sn coatings: Role of intermetallic growth, stress evolution, and plastic deformation processes

    SciTech Connect

    Chason, E.; Jadhav, N.; Kumar, K. S.; Chan, W. L.; Reinbold, L.

    2008-04-28

    We have simultaneously measured the evolution of intermetallic volume, stress, and whisker density in Sn and Pb-Sn alloy layers on Cu to study the fundamental mechanisms controlling whisker formation. For pure Sn, the stress becomes increasingly compressive and then saturates, corresponding to a plastically deformed region spreading away from the growing intermetallic particles. Whisker nucleation begins after the stress saturates. Pb-Sn layers have similar intermetallic growth kinetics but the resulting stress and whisker density are much less. Measurements after sputtering demonstrate the important role of the surface oxide in inhibiting stress relaxation.

  20. Rethinking early Earth phosphorus geochemistry

    PubMed Central

    Pasek, Matthew A.

    2008-01-01

    Phosphorus is a key biologic element, and a prebiotic pathway leading to its incorporation into biomolecules has been difficult to ascertain. Most potentially prebiotic phosphorylation reactions have relied on orthophosphate as the source of phosphorus. It is suggested here that the geochemistry of phosphorus on the early Earth was instead controlled by reduced oxidation state phosphorus compounds such as phosphite (HPO32−), which are more soluble and reactive than orthophosphates. This reduced oxidation state phosphorus originated from extraterrestrial material that fell during the heavy bombardment period or was produced during impacts, and persisted in the mildly reducing atmosphere. This alternate view of early Earth phosphorus geochemistry provides an unexplored route to the formation of pertinent prebiotic phosphorus compounds, suggests a facile reaction pathway to condensed phosphates, and is consistent with the biochemical usage of reduced oxidation state phosphorus compounds in life today. Possible studies are suggested that may detect reduced oxidation state phosphorus compounds in ancient Archean rocks. PMID:18195373

  1. Structure maps in the search for new intermetallics

    SciTech Connect

    Pettifor, D.G. . Dept. of Mathematics)

    1989-01-01

    The data base on the crystal structures of binary compounds may be ordered within two-dimensional structure maps using the recently proposed Mendeleev number which places all the elements in sequential order. This paper reviews the progress made and problems encountered in using the maps as a guide in the search for new pseudobinaries with a required crystal structure. 37 refs., 6 figs.

  2. Thermodynamic properties and solidification kinetics of intermetallic Ni7Zr2 alloy investigated by electrostatic levitation technique and theoretical calculations

    NASA Astrophysics Data System (ADS)

    Li, L. H.; Hu, L.; Yang, S. J.; Wang, W. L.; Wei, B.

    2016-01-01

    The thermodynamic properties, including the density, volume expansion coefficient, ratio of specific heat to emissivity of intermetallic Ni7Zr2 alloy, have been measured using the non-contact electrostatic levitation technique. These properties vary linearly with temperature at solid and liquid states, even down to the obtained maximum undercooling of 317 K. The enthalpy, glass transition, diffusion coefficient, shear viscosity, and surface tension were obtained by using molecular dynamics simulations. Ni7Zr2 has a relatively poor glass forming ability, and the glass transition temperature is determined as 1026 K. The inter-diffusivity of Ni7Zr2 alloy fitted by Vogel-Fulcher-Tammann law yields a fragility parameter of 8.49, which indicates the fragile nature of this alloy. Due to the competition of increased thermodynamic driving force and decreased atomic diffusion, the dendrite growth velocity of Ni7Zr2 compound exhibits double-exponential relationship to the undercooling. The maximum growth velocity is predicted to be 0.45 m s-1 at the undercooling of 335 K. Theoretical analysis reveals that the dendrite growth is a diffusion-controlled process and the atomic diffusion speed is only 2.0 m s-1.

  3. Three Dimensional Characterization of Tin Crystallography and Cu6Sn5 Intermetallics in Solder Joints by Multiscale Tomography

    NASA Astrophysics Data System (ADS)

    Kirubanandham, A.; Lujan-Regalado, I.; Vallabhaneni, R.; Chawla, N.

    2016-07-01

    Decreasing pitch size in electronic packaging has resulted in a drastic decrease in solder volumes. The Sn grain crystallography and fraction of intermetallic compounds (IMCs) in small-scale solder joints evolve much differently at the smaller length scales. A cross-sectional study limits the morphological analysis of microstructural features to two dimensions. This study utilizes serial sectioning technique in conjunction with electron backscatter diffraction to investigate the crystallographic orientation of both Sn grains and Cu6Sn5 IMCs in Cu/Pure Sn/Cu solder joints in three dimensional (3D). Quantification of grain aspect ratio is affected by local cooling rate differences within the solder volume. Backscatter electron imaging and focused ion beam serial sectioning enabled the visualization of morphology of both nanosized Cu6Sn5 IMCs and the hollow hexagonal morphology type Cu6Sn5 IMCs in 3D. Quantification and visualization of microstructural features in 3D thus enable us to better understand the microstructure and deformation mechanics within these small scale solder joints.

  4. Slater-Pauling behavior within quaternary intermetallic borides of the Ti 3Co 5B 2 structure-type

    NASA Astrophysics Data System (ADS)

    Burghaus, Jens; Dronskowski, Richard; Miller, Gordon J.

    2009-10-01

    First-principles, density-functional studies of several intermetallic borides of the general type M2M'Ru 5-nRh nB 2 ( n=0-5; M=Sc, Ti, Nb; M'=Fe, Co) show that the variation in saturation magnetic moment with valence-electron count follows a Slater-Pauling curve, with a maximum moment occurring typically at 66 valence electrons. The magnetic moments in these compounds occur primarily from the 3 d electrons of the magnetically active M' sites, with some contribution from the Ru/Rh sites via magnetic polarization. Electronic DOS curves reveal that a rigid-band approach is a reasonable approximation for the estimation of saturation moments and the analysis of orbital interactions in this family of complex borides. COHP analyses of the M'- M' orbital interactions indicate optimized interactions in the minority spin states for Co-containing phases, but strong bonding interactions remaining in Fe-containing phases.

  5. Characterization of Nanostructured NbSi2 Intermetallic Coatings Obtained by Plasma Spraying of Mechanically Alloyed Powders

    NASA Astrophysics Data System (ADS)

    Yazdani, Zohreh; Karimzadeh, Fathallah; Abbasi, Mohammad-Hasan

    2015-08-01

    Nanostructured NbSi2 powders plasma sprayed on to Ti-6Al-4V substrates were characterized in this research. After preparation of the nanostructured NbSi2 powders by mechanical alloying of an Nb-Si powder mixture, agglomeration was performed to obtain a particle size suitable for spraying. The agglomerated powders were then sprayed by atmospheric plasma spraying. Structural transformation of the powders and morphological and mechanical changes of the coatings were examined by use of x-ray diffraction analysis, scanning electron microscopy, energy dispersive spectroscopy, and microhardness testing. During milling, NbSi2 intermetallic with a grain size of approximately 15 nm was gradually formed. After plasma spraying, a coating of hardness 550 ± 8 HV with a uniform nanocrystalline structure, low oxide content, low porosity, and a good adhesion to the substrate was obtained. No phase change occurred after spraying and the NbSi2 compound remained nanostructured with a grain size of approximately 82 nm.

  6. Reliable and cost effective design of intermetallic Ni2Si nanowires and direct characterization of its mechanical properties

    PubMed Central

    Han, Seung Zeon; Kang, Joonhee; Kim, Sung-Dae; Choi, Si-Young; Kim, Hyung Giun; Lee, Jehyun; Kim, Kwangho; Lim, Sung Hwan; Han, Byungchan

    2015-01-01

    We report that a single crystal Ni2Si nanowire (NW) of intermetallic compound can be reliably designed using simple three-step processes: casting a ternary Cu-Ni-Si alloy, nucleate and growth of Ni2Si NWs as embedded in the alloy matrix via designing discontinuous precipitation (DP) of Ni2Si nanoparticles and thermal aging, and finally chemical etching to decouple the Ni2Si NWs from the alloy matrix. By direct application of uniaxial tensile tests to the Ni2Si NW we characterize its mechanical properties, which were rarely reported in previous literatures. Using integrated studies of first principles density functional theory (DFT) calculations, high-resolution transmission electron microscopy (HRTEM), and energy-dispersive X-ray spectroscopy (EDX) we accurately validate the experimental measurements. Our results indicate that our simple three-step method enables to design brittle Ni2Si NW with high tensile strength of 3.0 GPa and elastic modulus of 60.6 GPa. We propose that the systematic methodology pursued in this paper significantly contributes to opening innovative processes to design various kinds of low dimensional nanomaterials leading to advancement of frontiers in nanotechnology and related industry sectors. PMID:26456769

  7. Investigating the Effects of Lead Forming Parameters on Intermetallic Layer Crack Using the Finite-Element Method

    NASA Astrophysics Data System (ADS)

    Chin, J. W. C.; Kok, C. K.; Rajmohan, M. M.; Yeo, V. S. H.; Said, M. R.

    2012-04-01

    The lead trim-and-form process is important in the manufacturing of programmable logic devices, microprocessors, and memories. Normally, inspection of a chip package is performed in a lead inspection machine after the lead forming process to detect defects on the leads. One such defect is the lead intermetallic compound (IMC) crack, exhibiting itself as plating crack. In this study, IMC crack of package leads, which causes loose connection between the copper lead and the tin plating, was analyzed using the finite-element method. The simulation results were verified by matching the simulated and actual formed lead profile. Simulation results showed a strong correlation between IMC crack after forming and aging and high residual tensile strain induced during lead forming. A proposal was made to resolve the crack issue by performing design of experiment (DOE) to reduce the residual tensile strain of the lead upon forming. Three optimization parameters were chosen, namely the forming angle, the shank angle, and the pre-forming angle. It is shown that, with the optimized parameter setting, a reduction of the residual strain can be achieved, thus minimizing the risk of IMC crack.

  8. Digital Earth - A sustainable Earth

    NASA Astrophysics Data System (ADS)

    Mahavir

    2014-02-01

    All life, particularly human, cannot be sustainable, unless complimented with shelter, poverty reduction, provision of basic infrastructure and services, equal opportunities and social justice. Yet, in the context of cities, it is believed that they can accommodate more and more people, endlessly, regardless to their carrying capacity and increasing ecological footprint. The 'inclusion', for bringing more and more people in the purview of development is often limited to social and economic inclusion rather than spatial and ecological inclusion. Economic investment decisions are also not always supported with spatial planning decisions. Most planning for a sustainable Earth, be at a level of rural settlement, city, region, national or Global, fail on the capacity and capability fronts. In India, for example, out of some 8,000 towns and cities, Master Plans exist for only about 1,800. A chapter on sustainability or environment is neither statutorily compulsory nor a norm for these Master Plans. Geospatial technologies including Remote Sensing, GIS, Indian National Spatial Data Infrastructure (NSDI), Indian National Urban Information Systems (NUIS), Indian Environmental Information System (ENVIS), and Indian National GIS (NGIS), etc. have potential to map, analyse, visualize and take sustainable developmental decisions based on participatory social, economic and social inclusion. Sustainable Earth, at all scales, is a logical and natural outcome of a digitally mapped, conceived and planned Earth. Digital Earth, in fact, itself offers a platform to dovetail the ecological, social and economic considerations in transforming it into a sustainable Earth.

  9. The sequence of intermetallic formation and solidification pathway of an Al–13Mg–7Si–2Cu in-situ composite

    SciTech Connect

    Farahany, Saeed; Nordin, Nur Azmah; Ourdjini, Ali; Abu Bakar, TutyAsma; Hamzah, Esah; Idris, Mohd Hasbullah; Hekmat-Ardakan, Alireza

    2014-12-15

    The phase transformation sequence and solidification behaviour of an Al–13Mg–7Si–2Cu in-situ composite was examined using a combination of computer-aided cooling curve thermal analysis and interrupted quenching techniques. Five different phases were identified by analysing the derivative cooling curves, the X-ray diffraction profile, optical and scanning electron microscopy images and the corresponding energy dispersive spectroscopy. It has been found that the solidification of this alloy begins with primary Mg{sub 2}Si precipitation and continues with the formation of eutectic Al–Mg{sub 2}Si, followed by Al{sub 5}FeSi and simultaneous precipitation of Al{sub 5}Cu{sub 2}Mg{sub 8}Si{sub 6} and Al{sub 2}Cu complex intermetallic phases. The formation of the last three intermetallic compounds changes the solidification behaviour of these composites remarkably due to their complex eutectic formation reactions. The solidification of the alloy, calculated using the Factsage thermochemical analysis software, has demonstrated a good agreement with the experiments in terms of compound prediction, their weight fractions and reaction temperatures. - Highlights: • Solidification path of a commercial Al-13Mg-7Si-2Cu composite was characterized. • Five different phases were identified and then confirmed with EDS and XRD results. • Mg{sub 2}Si, Al-Mg{sub 2}Si,Al{sub 5}FeSi (β),Al{sub 5}Cu{sub 2}Mg{sub 8}Si{sub 6} (Q) and Al{sub 2}Cu(θ) precipitated respectively. • Solidification was predicted using the Factsage thermochemical analysis software.

  10. The energetics of ordered intermetallic alloys (of the transition metals)

    SciTech Connect

    Watson, R.E.; Weinert, M.; Davenport, J.W. ); Fernando, G.W. . Dept. of Physics); Bennett, L.H. . Metallurgy Div.)

    1992-01-01

    The atomically ordered phases in ordered transition metal alloys are discussed. This chapter is divided into: physical parameters controlling phase stability (Hume-Rothery, structural maps, Miedema Hamiltonian), wave functions band theory, comment on entropy terms, cohesive energies (electron promotion energies, Hund's rule on orbital effects), structural energies/stabilities of elemental solids, total energies and atomic positions, charge transfer (Au alloys, charge tailing), heats of formation of ordered compounds.

  11. The energetics of ordered intermetallic alloys (of the transition metals)

    SciTech Connect

    Watson, R.E.; Weinert, M.; Davenport, J.W.; Fernando, G.W.; Bennett, L.H.

    1992-10-01

    The atomically ordered phases in ordered transition metal alloys are discussed. This chapter is divided into: physical parameters controlling phase stability (Hume-Rothery, structural maps, Miedema Hamiltonian), wave functions & band theory, comment on entropy terms, cohesive energies (electron promotion energies, Hund`s rule on orbital effects), structural energies/stabilities of elemental solids, total energies and atomic positions, charge transfer (Au alloys, charge tailing), heats of formation of ordered compounds.

  12. Earth Algebra.

    ERIC Educational Resources Information Center

    Schaufele, Christopher; Zumoff, Nancy

    Earth Algebra is an entry level college algebra course that incorporates the spirit of the National Council of Teachers of Mathematics (NCTM) Curriculum and Evaluation Standards for School Mathematics at the college level. The context of the course places mathematics at the center of one of the major current concerns of the world. Through…

  13. Rare earths

    USGS Publications Warehouse

    Gambogi, J.

    2013-01-01

    Global mine production of rare earths was estimated to have declined slightly in 2012 relative to 2011 (Fig. 1). Production in China was estimated to have decreased to 95 from 105 kt (104,700 from 115,700 st) in 2011, while new mine production in the United States and Australia increased.

  14. Think Earth.

    ERIC Educational Resources Information Center

    Niedermeyer, Fred; Ice, Kay

    1992-01-01

    Describes a series of environmental education instructional units for grades K-6 developed by the Think Earth Consortium that cover topics such as conservation, pollution control, and waste reduction. Provides testimony from one sixth-grade teacher that field tested the second-grade unit. (MDH)

  15. Chemical Frustration. A Design Principle for the Discovery of New Complex Alloy and Intermetallic Phases, Final Report

    SciTech Connect

    Fredrickson, Daniel C

    2015-06-23

    Final technical report for "Chemical Frustration: A Design Principle for the Discovery of New Complex Alloy and Intermetallic Phases" funded by the Office of Science through the Materials Chemistry Program of the Office of Basic Energy Sciences.

  16. High-temperature ordered intermetallic alloys III; Proceedings of the Third Symposium, Boston, MA, Nov. 29-Dec. 1, 1988

    NASA Technical Reports Server (NTRS)

    Liu, C. T. (Editor); Taub, A. I. (Editor); Stoloff, N. S. (Editor); Koch, C. C. (Editor)

    1989-01-01

    The present conference on high-temperature ordered intermetallic alloys discusses alloy theory and phase stability, defects and microstructures, mechanical behavior, alloy design and material processing, multiphase and composite materials, nickel aluminides, titanium aluminides, and other ordered intermetallics. Attention is given to compositional effects on processing and properties of nickel aluminides, dynamic compaction and hot-isostatic-pressing of nickel aluminides, improvement of elevated-temperature material properties in Ni3Al, the effect of microalloying B on the high-temperature mechanical properties of Ti3Al, the effects of structure on creep of Ti-53.4 mol pct Al intermetallics, the deformation microstructure in Ni3Si polycrystals strained over the range of temperature of flow stress anomaly, and the microstructure and mechanical properties of dual phase alloys consisting of the intermetallic phases.

  17. Organic Compounds in Carbonaceous Meteorites

    NASA Technical Reports Server (NTRS)

    Cooper, Grorge

    2001-01-01

    Carbonaceous meteorites are relatively enriched in soluble organic compounds. To date, these compounds provide the only record available to study a range of organic chemical processes in the early Solar System chemistry. The Murchison meteorite is the best-characterized carbonaceous meteorite with respect to organic chemistry. The study of its organic compounds has related principally to aqueous meteorite parent body chemistry and compounds of potential importance for the origin of life. Among the classes of organic compounds found in Murchison are amino acids, amides, carboxylic acids, hydroxy acids, sulfonic acids, phosphonic acids, purines and pyrimidines (Table 1). Compounds such as these were quite likely delivered to the early Earth in asteroids and comets. Until now, polyhydroxylated compounds (polyols), including sugars (polyhydroxy aldehydes or ketones), sugar alcohols, sugar acids, etc., had not been identified in Murchison. Ribose and deoxyribose, five-carbon sugars, are central to the role of contemporary nucleic acids, DNA and RNA. Glycerol, a three-carbon sugar alcohol, is a constituent of all known biological membranes. Due to the relative lability of sugars, some researchers have questioned the lifetime of sugars under the presumed conditions on the early Earth and postulated other (more stable) compounds as constituents of the first replicating molecules. The identification of potential sources and/or formation mechanisms of pre-biotic polyols would add to the understanding of what organic compounds were available, and for what length of time, on the ancient Earth.

  18. Earth meandering

    NASA Astrophysics Data System (ADS)

    Asadiyan, H.; Zamani, A.

    2009-04-01

    In this paper we try to put away current Global Tectonic Model to look the tectonic evolution of the earth from new point of view. Our new dynamic model is based on study of river meandering (RM) which infer new concept as Earth meandering(EM). In a universal gravitational field if we consider a clockwise spiral galaxy model rotate above Ninety East Ridge (geotectonic axis GA), this system with applying torsion field (likes geomagnetic field) in side direction from Rocky Mt. (west geotectonic pole WGP) to Tibetan plateau TP (east geotectonic pole EGP),it seems that pulled mass from WGP and pushed it in EGP due to it's rolling dynamics. According to this idea we see in topographic map that North America and Green land like a tongue pulled from Pacific mouth toward TP. Actually this system rolled or meander the earth over itself fractaly from small scale to big scale and what we see in the river meandering and Earth meandering are two faces of one coin. River transport water and sediments from high elevation to lower elevation and also in EM, mass transport from high altitude-Rocky Mt. to lower altitude Himalaya Mt. along 'S' shape geodetic line-optimum path which connect points from high altitude to lower altitude as kind of Euler Elastica(EE). These curves are responsible for mass spreading (source) and mass concentration (sink). In this regard, tiltness of earth spin axis plays an important role, 'S' are part of sigmoidal shape which formed due to intersection of Earth rolling with the Earth glob and actual feature of transform fault and river meandering. Longitudinal profile in mature rivers as a part of 'S' curve also is a kind of EE. 'S' which bound the whole earth is named S-1(S order 1) and cube corresponding to this which represent Earth fracturing in global scale named C-1(cube order 1 or side vergence cube SVC), C-1 is a biggest cycle of spiral polygon, so it is not completely closed and it has separation about diameter of C-7. Inside SVC we introduce cone

  19. Forming metal-intermetallic or metal-ceramic composites by self-propagating high-temperature reactions

    DOEpatents

    Rawers, James C.; Alman, David E.; Petty, Jr., Arthur V.

    1996-01-01

    Industrial applications of composites often require that the final product have a complex shape. In this invention intermetallic or ceramic phases are formed from sheets of unreacted elemental metals. The process described in this invention allows the final product shape be formed prior to the formation of the composite. This saves energy and allows formation of shaped articles of metal-intermetallic composites composed of brittle materials that cannot be deformed without breaking.

  20. Method of treating intermetallic alloy hydrogenation/oxidation catalysts for improved impurity poisoning resistance, regeneration and increased activity

    DOEpatents

    Wright, R.B.

    1992-01-14

    Alternate, successive high temperature oxidation and reduction treatments, in either order, of intermetallic alloy hydrogenation and intermetallic alloy oxidation catalysts unexpectedly improves the impurity poisoning resistance, regeneration capacity and/or activity of the catalysts. The particular alloy, and the final high temperature treatment given alloy (oxidation or reduction) will be chosen to correspond to the function of the catalyst (oxidation or hydrogenation). 23 figs.

  1. Ternary rare earth-lanthanide sulfides

    DOEpatents

    Takeshita, Takuo; Gschneidner, Jr., Karl A.; Beaudry, Bernard J.

    1987-01-06

    A new ternary rare earth sulfur compound having the formula: La.sub.3-x M.sub.x S.sub.4 where M is a rare earth element selected from the group europium, samarium and ytterbium and x=0.15 to 0.8. The compound has good high-temperature thermoelectric properties and exhibits long-term structural stability up to 1000.degree. C.

  2. Oxidation Control of Atmospheric Plasma Sprayed FeAl Intermetallic Coatings Using Dry-Ice Blasting

    NASA Astrophysics Data System (ADS)

    Song, Bo; Dong, Shujuan; Coddet, Pierre; Hansz, Bernard; Grosdidier, Thierry; Liao, Hanlin; Coddet, Christian

    2013-03-01

    The performance of atmospheric plasma sprayed FeAl coatings has been remarkably limited because of oxidation and phase transformation during the high-temperature process of preparation. In the present work, FeAl intermetallic coatings were prepared by atmospheric plasma spraying combined with dry-ice blasting. The microstructure, oxidation, porosity, and surface roughness of FeAl intermetallic coatings were investigated. The results show that a denser FeAl coating with a lower content of oxide and lower degree of phase transformation can be achieved because of the cryogenic, the cleaning, and the mechanical effects of dry-ice blasting. The surface roughness value decreased, and the adhesive strength of FeAl coating increased after the application of dry-ice blasting during the atmospheric plasma spraying process. Moreover, the microhardness of the FeAl coating increased by 72%, due to the lower porosity and higher dislocation density.

  3. The shock Hugoniot of the intermetallic alloy Ti-46.5Al-2Nb-2Cr

    SciTech Connect

    Millett, Jeremy; Gray, George T. Rusty III; Bourne, Neil

    2000-09-15

    Plate impact experiments were conducted on a {gamma}-titanium aluminide (TiAl) based ordered intermetallic alloy. Stress measurements were recorded using manganin stress gauges supported on the back of TiAl targets using polymethylmethacrylate windows. The Hugoniot in stress-particle velocity space for this TiAl alloy was deduced using impedance matching techniques. The results in this study are compared to the known Hugoniot data of the common alpha-beta engineering Ti-based alloy Ti-6Al-4V. The results of the current study on the intermetallic alloy TiAl support that TiAl possesses a significantly higher stress for a given particle velocity than the two-phase Ti-6Al-4V alloy. (c) 2000 American Institute of Physics.

  4. Gold–promoted structurally ordered intermetallic palladium cobalt nanoparticles for the oxygen reduction reaction

    SciTech Connect

    Kuttiyiel, Kurian A.; Sasaki, Kotaro; Su, Dong; Wu, Lijun; Zhu, Yimei; Adzic, Radoslav R.

    2014-11-06

    Considerable efforts to make palladium and palladium alloys active catalysts and a possible replacement for platinum have had a marginal success. Here, we report on a structurally ordered Au₁₀Pd₄₀Co₅₀ catalyst that exhibits comparable activity to conventional platinum catalysts in both acid and alkaline media. Electron microscopic techniques demonstrate that via addition of gold atoms PdCo nanoparticles undergo at elevated temperatures an atomic structural transition from core-shell to a rare intermetallic ordered structure with twin boundaries forming stable {111}, {110} and {100} facets. The superior stability of this catalyst compared to platinum after 10,000 potential cycles in alkaline media is attributed to the atomic structural order of PdCo nanoparticles along with protective effect of clusters of gold atoms on the surface. This strategy of making ordered palladium intermetallic alloy nanoparticles can be used in diverse heterogeneous catalysis where particle size and structural stability matters.

  5. Novel Nanocrystalline Intermetallic Coatings for Metal Alloys in Coal-fired Environments

    SciTech Connect

    Z. Zak Fang; H. Y. Sohn

    2009-08-31

    Intermetallic coatings (iron aluminide and nickel aluminide) were prepared by a novel reaction process. In the process, the aluminide coating is formed by an in-situ reaction between the aluminum powder fed through a plasma transferred arc (PTA) torch and the metal substrate (steel or Ni-base alloy). Subjected to the high temperature within an argon plasma zone, aluminum powder and the surface of the substrate melt and react to form the aluminide coatings. The prepared coatings were found to be aluminide phases that are porosity-free and metallurgically bonded to the substrate. The coatings also exhibit excellent high-temperature corrosion resistance under the conditions which simulate the steam-side and fire-side environments in coal-fired boilers. It is expected that the principle demonstrated in this process can be applied to the preparation of other intermetallic and alloy coatings.

  6. An Analysis of Intermetallic Bonding between a Ring Carrier and an Aluminum Piston Alloy

    NASA Astrophysics Data System (ADS)

    Manasijević, Srećko; Dolić, Natalija; Zovko Brodarac, Zdenka; Djurdjević, Mile; Radiša, Radomir

    2014-09-01

    This paper presents the results of an analysis of the formation of an intermetallic bond between a ring carrier and an aluminum piston alloy. The ring carrier is made of austenitic cast iron (Ni-Resist) to increase the wear resistance of the first ring groove and is applied in highly loaded diesel engines. The most important thing is that the Ni-Resist (ferrous) must be bonded with a non-ferrous piston material during the casting of the piston. A metallographic investigation using an optical microscope in combination with the SEM/EDS analysis of the quality of the intermetallic bonding layer was done. The test results show that if the proper conditions are met, then the preparation of the ring carrier can be made successfully, as can the formation of the metal connection between the two materials of different qualities.

  7. Self-assembling of atomic vacancies at an oxide/intermetallic alloy interface

    NASA Astrophysics Data System (ADS)

    Maurice, Vincent; Despert, Guillaume; Zanna, Sandrine; Bacos, Marie-Pierre; Marcus, Philippe

    2004-10-01

    Oxide layers grown on the surface provide an effective way of protecting metallic materials against corrosion for sustainable use in a broad range of applications. However, the growth of cavities at the metal/oxide interface weakens the adherence of the protective layer and can promote its spallation under service conditions, as observed for alumina layers formed by selective oxidation of aluminide intermetallic alloys used in high-temperature applications. Here we show that direct atomic-scale observations of the interface between an ultrathin protective oxide layer (alumina) grown on an intermetallic titanium aluminide substrate (TiAl) can be performed with techniques sensitive to the topmost atomic layers at the surface. Nanocavities resulting from the self-assembling of atomic vacancies injected at the interface by the growth mechanism of the protective oxide are observed for the first time, bringing new insight into the understanding of the fate of injected cavities in oxidation processes.

  8. Rare earths, the lanthanides, yttrium and scandium

    USGS Publications Warehouse

    Bedinger, G.; Bleiwas, D.

    2012-01-01

    In 2011, rare earths were recovered from bastnasite concentrates at the Mountain Pass Mine in California. Consumption of refined rare-earth products decreased in 2011 from 2010. U.S. rare-earth imports originated primarily from China, with lesser amounts from Austria, Estonia, France and Japan. The United States imported all of its demand for yttrium metal and yttrium compounds, with most of it originating from China. Scandium was imported in various forms and processed domestically.

  9. Aluminum/alkaline earth metal composites and method for producing

    DOEpatents

    Russell, Alan M; Anderson, Iver E; Kim, Hyong J; Freichs, Andrew E

    2014-02-11

    A composite is provided having an electrically conducting Al matrix and elongated filaments comprising Ca and/or Sr and/or Ba disposed in the matrix and extending along a longitudinal axis of the composite. The filaments initially comprise Ca and/or Sr and/or Ba metal or allow and then may be reacted with the Al matrix to form a strengthening intermetallic compound comprising Al and Ca and/or Sr and/or Ba. The composite is useful as a long-distance, high voltage power transmission conductor.

  10. In situ XPS study of methanol reforming on PdGa near-surface intermetallic phases

    PubMed Central

    Rameshan, Christoph; Stadlmayr, Werner; Penner, Simon; Lorenz, Harald; Mayr, Lukas; Hävecker, Michael; Blume, Raoul; Rocha, Tulio; Teschner, Detre; Knop-Gericke, Axel; Schlögl, Robert; Zemlyanov, Dmitry; Memmel, Norbert; Klötzer, Bernhard

    2012-01-01

    In situ X-ray photoelectron spectroscopy and low-energy ion scattering were used to study the preparation, (thermo)chemical and catalytic properties of 1:1 PdGa intermetallic near-surface phases. Deposition of several multilayers of Ga metal and subsequent annealing to 503–523 K led to the formation of a multi-layered 1:1 PdGa near-surface state without desorption of excess Ga to the gas phase. In general, the composition of the PdGa model system is much more variable than that of its PdZn counterpart, which results in gradual changes of the near-surface composition with increasing annealing or reaction temperature. In contrast to near-surface PdZn, in methanol steam reforming, no temperature region with pronounced CO2 selectivity was observed, which is due to the inability of purely intermetallic PdGa to efficiently activate water. This allows to pinpoint the water-activating role of the intermetallic/support interface and/or of the oxide support in the related supported PdxGa/Ga2O3 systems, which exhibit high CO2 selectivity in a broad temperature range. In contrast, corresponding experiments starting on the purely bimetallic model surface in oxidative methanol reforming yielded high CO2 selectivity already at low temperatures (∼460 K), which is due to efficient O2 activation on PdGa. In situ detected partial and reversible oxidative Ga segregation on intermetallic PdGa is associated with total oxidation of intermediate C1 oxygenates to CO2. PMID:22875996

  11. Plasma sprayed ceramic thermal barrier coating for NiAl-based intermetallic alloys

    NASA Technical Reports Server (NTRS)

    Miller, Robert A. (Inventor); Doychak, Joseph (Inventor)

    1994-01-01

    A thermal barrier coating system consists of two layers of a zirconia-yttria ceramic. The first layer is applied by low pressure plasma spraying. The second layer is applied by conventional atmospheric pressure plasma spraying. This facilitates the attachment of a durable thermally insulating ceramic coating directly to the surface of a highly oxidation resistant NiAl-based intermetallic alloy after the alloy has been preoxidized to promote the formation of a desirable Al2O3 scale.

  12. Use of Brazilian disk test to determine properties of metallic-intermetallic laminate composites

    NASA Astrophysics Data System (ADS)

    Jiang, Fengchun; Kulin, Robb M.; Vecchio, Kenneth S.

    2010-01-01

    Metallic-intermetallic laminate (MIL) composites based on Ti-Al3Ti offer a unique combination of structural and ballistic/blast performance capabilities for many defense related platforms. In this study, the Brazilian splitting test was employed, under quasi-static and dynamic loading conditions, using disk specimens cut from the laminate plates in orientations perpendicular (in-plane) and parallel (through-thickness) to the layers. Tests were conducted to evaluate the overall tensile mechanical properties of the Ti-Al3Ti MIL composite, both to determine in-plane tensile properties, as well as the more challenging through-thickness tensile properties. Experimental results indicate that when loaded parallel to the layers, the tensile strength in the through-thickness orientation, determined by Brazilian splitting test, is low, which is not surprising since it is only evaluating the tensile behavior of the brittle intermetallic phase. When loaded perpendicular to the layers, the in-plane tensile strength of the Ti-Al3Ti MIL composites is high due to the contribution of the reinforcement Ti plus the intermetallic component.

  13. Preparation of nanocrystalline metal oxides and intermetallic phases by controlled thermolysis of organometallic coordination polymers

    NASA Astrophysics Data System (ADS)

    Rehbein, Marcus; Epple, Matthias; Fischer, R. Dieter

    2000-06-01

    Organometallic coordination polymers of the super-Prussian blue type [(Me 3Sn) nM(CN) 6] (Me=CH 3; n=3, 4; M=Fe, Co, Ru) were subjected to thermolysis in different atmospheres (air, argon, hydrogen/nitrogen). In air, oxides were found: Fe 2O 3/SnO 2 (crystalline and nanocrystalline), Co 2SnO 4 and RuO 2. In argon and in hydrogen, the intermetallic phases FeSn 2, CoSn 2, Ru 3Sn 7 and Fe 3SnC were obtained. A detailed mechanistic study was carried out using thermogravimetry (TG), X-ray diffraction (XRD), X-ray absorption spectroscopy (EXAFS) at Fe, Co, Ru and Sn K-edges, infrared spectroscopy (IR) and elemental analysis. Below 250°C, Me 3SnCN and (CN) 2 are released, whereas above 250°C oxidation or pyrolysis leads to the corresponding oxides or intermetallic phases. Polymeric cyanides containing at least two metals have turned out to be suitable precursors to prepare well-defined oxides and intermetallic phases at comparatively low temperature.

  14. Evolution of Intermetallic Phases in Soldering of the Die Casting of Aluminum Alloys

    NASA Astrophysics Data System (ADS)

    Song, Jie; Wang, Xiaoming; DenOuden, Tony; Han, Qingyou

    2016-06-01

    Most die failures are resulted from chemical reactions of dies and molten aluminum in the die casting of aluminum. The formation of intermetallic phases between a steel die and molten aluminum is investigated by stationary immersion tests and compared to a real die casting process. Three intermetallic phases are identified in the stationary immersion tests: a composite layer and two compact layers. The composite layer is a mixture of α bcc, Al, and Si phases. The α bcc phase changes in morphology from rod-like to spherical shape, while the growth rate of the layer changes from parabolic to linear pattern with immersion time. The first compact layer forms rapidly after immersion and maintains a relatively constant thickness. The second compact layer forms after 4 hours of immersion and exhibits parabolic growth with immersion time. In comparison, only a composite layer and the first compact layer are observed in a real die casting process. The fresh molten aluminum of high growth rate washes away the second intermetallic layer easily.

  15. Prediction of Host-Guest Na-Fe Intermetallics at High Pressures.

    PubMed

    Zhou, Yuanyuan; Wang, Hui; Zhu, Chunye; Liu, Hanyu; Tse, John S; Ma, Yanming

    2016-07-18

    High pressure can fundamentally alter the electronic structure of elemental metals, leading to the unexpected formation of intermetallics with unusual structural features. In the present study, the phase stabilities and structural changes of Na-Fe intermetallics under pressure were studied using unbiased structure searching methods, combined with density functional theory calculations. Two intermetallics with stoichiometries Na3Fe and Na4Fe are found to be thermodynamically stable at pressures above 120 and 155 GPa, respectively. An interesting structural feature is that both have form a host-guest-like structure with Na sublattices constructed from small and large polygons similar to the host framework of the self-hosting incommensurate phases observed in Group I and II elements. Apart from the one-dimensional (1D) Fe chains running through the large channels, more interestingly, electrides are found to localize in the small channels between the layers. Electron topological analysis shows secondary bonding interactions between the Fe atoms and the interstitial electrides help to stabilize these structures. PMID:27341197

  16. Cohesive properties of (Cu,Ni)-(In,Sn) intermetallics: Database, electron-density correlations and interpretation of bonding trends

    NASA Astrophysics Data System (ADS)

    Ramos, S. B.; González Lemus, N. V.; Cabeza, G. F.; Fernández Guillermet, A.

    2016-06-01

    This paper presents a systematic and comparative study of the composition and volume dependence of the cohesive properties for a large group of Me-X intermetallic phases (IPs) with Me=Cu,Ni and X=In,Sn, which are of interest in relation with the design of lead-free soldering (LFS) alloys. The work relies upon a database with total-energy versus volume information developed by using projected augmented waves (PAW) calculations. In previous papers by the current authors it was shown that these results account satisfactorily for the direct and indirect experimental data available. In the present work, the database is further expanded to investigate the composition dependence of the volume (V0), and the composition and volume dependence of the bulk modulus (B0) and cohesive energy (Ecoh). On these bases, an analysis is performed of the systematic effects of replacing Cu by Ni in several Me-X phases (Me=Cu,Ni and X=In,Sn) reported as stable and metastable, as well as various hypothetical compounds involved in the thermodynamic modeling of IPs using the Compound-Energy Formalism. Moreover, it is shown that the cohesion-related quantities (B0/V0)½ and (Ecoh½/V0) can be correlated with a parameter expressing the number of valence electrons per unit volume. These findings are compared in detail with related relations involving the Miedema empirical electron density at the boundary of the Wigner-Seitz cell. In view of the co-variation of the cohesive properties, Ecoh is selected as a key property and its composition and structure dependence is examined in terms of a theoretical view of the bonding which involves the hybridization of the d-states of Cu or Ni with the s and p-states of In or Sn, for this class of compounds. In particular, a comparative analysis is performed of the DOS of various representative, iso-structural Me-X compounds. Various effects of relevance to understand the consequences of replacing Cu by Ni in LFS alloys are highlighted and explained

  17. Band structure and transport studies of half Heusler compound DyPdBi: An efficient thermoelectric material

    NASA Astrophysics Data System (ADS)

    Krishnaveni, S.; Sundareswari, M.; Deshmukh, P. C.; Valluri, S. R.; Roberts, Ken

    2016-05-01

    The discovery of Heusler alloys has revolutionized the research field of intermetallics due to the ease with which one can derive potential candidates for multifunctional applications. During recent years, many half Heusler alloys have been investigated for their thermoelectric properties. The f electron based rare earth ternary half Heusler compound DyPdBi has its f energy levels located close to the Fermi energy level. Other research efforts have emphasized that such materials have good thermoelectric capabilities. We have explored using first principles the electronic band structure of DyPdBi by use of different exchange correlation potentials in the density functional theoretical framework. Transport coefficients that arise in the study of thermoelectric properties of DyPdBi have been calculated and illustrate its potential as an efficient thermoelectric material. Both the theoretically estimated Seebeck coefficient and the power factor agree well with the available experimental results. Our calculations illustrate that it is essential to include spin-orbit coupling in these models of f electron half Heusler materials.

  18. Rapid Solidification of Sn-Cu-Al Alloys for High-Reliability, Lead-Free Solder: Part II. Intermetallic Coarsening Behavior of Rapidly Solidified Solders After Multiple Reflows

    NASA Astrophysics Data System (ADS)

    Reeve, Kathlene N.; Choquette, Stephanie M.; Anderson, Iver E.; Handwerker, Carol A.

    2016-10-01

    Controlling the size, dispersion, and stability of intermetallic compounds in lead-free solder alloys is vital to creating reliable solder joints regardless of how many times the solder joints are melted and resolidified (reflowed) during circuit board assembly. In this article, the coarsening behavior of Cu x Al y and Cu6Sn5 in two Sn-Cu-Al alloys, a Sn-2.59Cu-0.43Al at. pct alloy produced via drip atomization and a Sn-5.39Cu-1.69Al at. pct alloy produced via melt spinning at a 5-m/s wheel speed, was characterized after multiple (1-5) reflow cycles via differential scanning calorimetry between the temperatures of 293 K and 523 K (20 °C and 250 °C). Little-to-no coarsening of the Cu x Al y particles was observed for either composition; however, clustering of Cu x Al y particles was observed. For Cu6Sn5 particle growth, a bimodal size distribution was observed for the drip atomized alloy, with large, faceted growth of Cu6Sn5 observed, while in the melt spun alloy, Cu6Sn5 particles displayed no significant increase in the average particle size, with irregularly shaped, nonfaceted Cu6Sn5 particles observed after reflow, which is consistent with shapes observed in the as-solidified alloys. The link between original alloy composition, reflow undercooling, and subsequent intermetallic coarsening behavior was discussed by using calculated solidification paths. The reflowed microstructures suggested that the heteroepitaxial relationship previously observed between the Cu x Al y and the Cu6Sn5 was maintained for both alloys.

  19. Mineral resource of the month: rare earths

    USGS Publications Warehouse

    Hedrick, James B.

    2004-01-01

    As if classified as a top-secret project, the rare earths have been shrouded in secrecy. The principal ore mineral of the group, bastnäsite, rarely appears in the leading mineralogy texts. The long names of the rare-earth elements and some unusual arrangements of letters, many Scandinavian in origin, may have intimidated even those skilled in phonics. Somewhat obscurely labeled, the rare earths are neither rare nor earths (the historical term for oxides). They are a relatively abundant group of metallic elements that occur in nature as nonmetallic compounds and have hundreds of commercial applications.

  20. Effect of Specific Energy Input on Microstructure and Mechanical Properties of Nickel-Base Intermetallic Alloy Deposited by Laser Cladding

    NASA Astrophysics Data System (ADS)

    Awasthi, Reena; Kumar, Santosh; Chandra, Kamlesh; Vishwanadh, B.; Kishore, R.; Viswanadham, C. S.; Srivastava, D.; Dey, G. K.

    2012-12-01

    This article describes the microstructural features and mechanical properties of nickel-base intermetallic alloy laser-clad layers on stainless steel-316 L substrate, with specific attention on the effect of laser-specific energy input (defined as the energy required per unit of the clad mass, kJ/g) on the microstructure and properties of the clad layer, keeping the other laser-cladding parameters same. Defect-free clad layers were observed, in which various solidified zones could be distinguished: planar crystallization near the substrate/clad interface, followed by cellular and dendritic morphology towards the surface of the clad layer. The clad layers were characterized by the presence of a hard molybdenum-rich hexagonal close-packed (hcp) intermetallic Laves phase dispersed in a relatively softer face-centered cubic (fcc) gamma solid solution or a fine lamellar eutectic phase mixture of an intermetallic Laves phase and gamma solid solution. The microstructure and properties of the clad layers showed a strong correlation with the laser-specific energy input. As the specific energy input increased, the dilution of the clad layer increased and the microstructure changed from a hypereutectic structure (with a compact dispersion of characteristic primary hard intermetallic Laves phase in eutectic phase mixture) to near eutectic or hypoeutectic structure (with reduced fraction of primary hard intermetallic Laves phase) with a corresponding decrease in the clad layer hardness.

  1. High-Strength, Superelastic Compounds

    NASA Technical Reports Server (NTRS)

    Stanford, Malcolm; Noebe, Ronald; Dellacorte, Christopher; Bigelow, Glen; Thomas, Fransua

    2013-01-01

    In a previous disclosure, the use of 60- NiTiNOL, an ordered intermetallic compound composed of 60 weight percent nickel and 40 weight percent titanium, was investigated as a material for advanced aerospace bearings due to its unique combination of physical properties. Lessons learned during the development of applications for this material have led to the discovery that, with the addition of a ternary element, the resulting material can be thermally processed at a lower temperature to attain the same desirable hardness level as the original material. Processing at a lower temperature is beneficial, not only because it reduces processing costs from energy consumption, but because it also significantly reduces the possibility of quench cracking and thermal distortion, which have been problematic with the original material. A family of ternary substitutions has been identified, including Hf and Zr in various atomic percentages with varying concentrations of Ni and Ti. In the present innovation, a ternary intermetallic compound consisting of 57.6 weight percent Ni, 39.2 weight percent Ti, and 3.2 weight percent Hf (54Ni-45Ti-1Hf atomic percent) was prepared by casting. In this material, Hf substitutes for some of the Ti atoms in the material. In an alternate embodiment of the innovation, Zr, which is close in chemical behavior to Hf, is used as the substitutional element. With either substitution, the solvus temperature of the material is reduced, and lower temperatures can be used to obtain the necessary hardness values. The advantages of this innovation include the ability to solution-treat the material at a lower temperature and still achieve the required hardness for bearings (at least 50 Rockwell C) and superelastic behavior with recoverable strains greater than 2%. Most structural alloys will not return to their original shape after being deformed as little as 0.2% (a tenth of that possible with superelastic materials like 60 NiTiNOL). Because lower temperatures

  2. Dissolution of Cu/Mg Bearing Intermetallics in Al-Si Foundry Alloys

    NASA Astrophysics Data System (ADS)

    Javidani, Mousa; Larouche, Daniel; Grant Chen, X.

    2016-08-01

    Evolutions of the Cu/Mg bearing intermetallics were thoroughly investigated in four Al-Si hypoeutectic alloys containing various Cu (1 and 1.6 wt pct) and Mg (0.4 and 0.8 wt pct) contents. The area fractions of Cu/Mg bearing phases before and after solution heat treatment (SHT) were quantified to evaluate the solubility/stability of the phases. Two Mg-bearing intermetallics (Q-Al5Cu2Mg8Si6, π-Al8FeMg3Si6) which appear as gray color under optical microscope were discriminated by the developed etchant. Moreover, the concentrations of the elements (Cu, Mg, and Si) in α-Al were analyzed. The results illustrated that in the alloys containing ~0.4 pct Mg, Q-Al5Cu2Mg8Si6 phase was dissolved after 6 hours of SHT at 778 K (505 °C); but containing in the alloys ~0.8 pct Mg, it was insoluble/ partially soluble. Furthermore, after SHT at 778 K (505 °C), Mg2Si was partially substituted by Q-phase. Applying a two-step SHT [6 hours@778 K (505 °C) + 8 hours@798 K (525 °C)] in the alloys containing ~0.4 pct Mg helped to further dissolve the remaining Mg bearing intermetallics and further modified the microstructure, but in the alloys containing ~0.8 pct Mg, it caused partial melting of Q-phase. Thermodynamic calculations were carried out to assess the phase formation in equilibrium and in non-equilibrium conditions. There was an excellent agreement between the experimental results and the predicted results.

  3. Dissolution of Cu/Mg Bearing Intermetallics in Al-Si Foundry Alloys

    NASA Astrophysics Data System (ADS)

    Javidani, Mousa; Larouche, Daniel; Grant Chen, X.

    2016-10-01

    Evolutions of the Cu/Mg bearing intermetallics were thoroughly investigated in four Al-Si hypoeutectic alloys containing various Cu (1 and 1.6 wt pct) and Mg (0.4 and 0.8 wt pct) contents. The area fractions of Cu/Mg bearing phases before and after solution heat treatment (SHT) were quantified to evaluate the solubility/stability of the phases. Two Mg-bearing intermetallics (Q-Al5Cu2Mg8Si6, π-Al8FeMg3Si6) which appear as gray color under optical microscope were discriminated by the developed etchant. Moreover, the concentrations of the elements (Cu, Mg, and Si) in α-Al were analyzed. The results illustrated that in the alloys containing ~0.4 pct Mg, Q-Al5Cu2Mg8Si6 phase was dissolved after 6 hours of SHT at 778 K (505 °C); but containing in the alloys ~0.8 pct Mg, it was insoluble/ partially soluble. Furthermore, after SHT at 778 K (505 °C), Mg2Si was partially substituted by Q-phase. Applying a two-step SHT [6 hours@778 K (505 °C) + 8 hours@798 K (525 °C)] in the alloys containing ~0.4 pct Mg helped to further dissolve the remaining Mg bearing intermetallics and further modified the microstructure, but in the alloys containing ~0.8 pct Mg, it caused partial melting of Q-phase. Thermodynamic calculations were carried out to assess the phase formation in equilibrium and in non-equilibrium conditions. There was an excellent agreement between the experimental results and the predicted results.

  4. Fabrication of intermetallic coatings for electrical insulation and corrosion resistance on high-temperature alloys

    SciTech Connect

    Park, J.-H.; Cho, W.D.

    1996-11-01

    Several intermetallic films were applied to high-temperature alloys (V alloys and 304, 316 stainless steels) to provide electrical insulation and corrosion resistance. Alloy grain growth at 1000 C for the V-5Cr-5Ti alloy was investigated to determine stability of the alloy substrate during coating formation by CVD or metallic vapor processes at 800-850 C. Film layers were examined by optical and scanning electron microscopy and by electron-energy-dispersive and XRD analysis; they were also tested for electrical resistivity and corrosion resistance. Results elucidated the nature of the coatings, which provided both electrical insulation and high-temperature corrosion protection.

  5. Influences of Hydrogen Micropores and Intermetallic Particles on Fracture Behaviors of Al-Zn-Mg-Cu Aluminum Alloys

    NASA Astrophysics Data System (ADS)

    Su, Hang; Yoshimura, Takuro; Toda, Hiroyuki; Bhuiyan, Md. Shahnewaz; Uesugi, Kentaro; Takeuchi, Akihisa; Sakaguchi, Nobuhito; Watanabe, Yoshio

    2016-09-01

    The combined effects of hydrogen micropores and intermetallic particles on the voids initiation and growth behavior of Al-Zn-Mg-Cu aluminum alloys during deformation and fracture are investigated with the help of the high-resolution X-ray tomography. It is interesting to note that the high-hydrogen concentration induced by an EDM cutting process results in the initiation of quasi-cleavage fracture near surface. With the increase of strain, the quasi-cleavage fracture is gradually replaced by dimple fracture. Voids initiation related to the dimple fracture is caused by both intermetallic particles fracture and interfacial debonding between particles and matrix. The nucleation of hydrogen micropores on intermetallic particles accelerates the voids initiation. The existence of triaxial stress ahead of the tip of a quasi-cleavage crack enhances growth rate for both hydrogen micropores and voids.

  6. A first-principles study on structural stability and mechanical properties of polar intermetallic phases CaZn2 and SrZn2

    NASA Astrophysics Data System (ADS)

    Hu, Wen-Cheng; Liu, Yong; Li, De-Jiang; Li, Ke; Jin, Hua-Lan; Xu, Ying-Xuan; Xu, Chun-Shui; Zeng, Xiao-Qin

    2014-12-01

    Structural stability and electronic properties of polar intermetallic CaZn2 and SrZn2 in both CeCu2-type and MgZn2-type structures have been investigated using first-principles method. The calculated equilibrium lattice parameters agree closely with the available experimental and other theoretical results. In terms of formation enthalpy, it is discovered that the present compounds with CeCu2-type structure are energetically more stable than that with MgZn2-type. They are all mechanically stable according to the criteria of elastic stability. In particular, we have investigated the pressure effect on the compressive behaviour and structural stability of each compound. Subsequently, the bulk modulus, shear modulus, Young's modulus, theoretical hardness, Poisson's ratio and Debye temperature in the ground state can be estimated using Voigt-Reuss-Hill homogenization method. Mechanical anisotropy is characterized by the anisotropic factors and direction-dependent Young's modulus. Finally, the electronic structures are determined to reveal the bonding characteristics of considered phases.

  7. Earth Observation

    NASA Technical Reports Server (NTRS)

    1994-01-01

    For pipeline companies, mapping, facilities inventory, pipe inspections, environmental reporting, etc. is a monumental task. An Automated Mapping/Facilities Management/Geographic Information Systems (AM/FM/GIS) is the solution. However, this is costly and time consuming. James W. Sewall Company, an AM/FM/GIS consulting firm proposed an EOCAP project to Stennis Space Center (SSC) to develop a computerized system for storage and retrieval of digital aerial photography. This would provide its customer, Algonquin Gas Transmission Company, with an accurate inventory of rights-of-way locations and pipeline surroundings. The project took four years to complete and an important byproduct was SSC's Digital Aerial Rights-of-Way Monitoring System (DARMS). DARMS saves substantial time and money. EOCAP enabled Sewall to develop new products and expand its customer base. Algonquin now manages regulatory requirements more efficiently and accurately. EOCAP provides government co-funding to encourage private investment in and broader use of NASA remote sensing technology. Because changes on Earth's surface are accelerating, planners and resource managers must assess the consequences of change as quickly and accurately as possible. Pacific Meridian Resources and NASA's Stennis Space Center (SSC) developed a system for monitoring changes in land cover and use, which incorporated the latest change detection technologies. The goal of this EOCAP project was to tailor existing technologies to a system that could be commercialized. Landsat imagery enabled Pacific Meridian to identify areas that had sustained substantial vegetation loss. The project was successful and Pacific Meridian's annual revenues have substantially increased. EOCAP provides government co-funding to encourage private investment in and broader use of NASA remote sensing technology.

  8. Development and commercialization status of Fe{sub 3}Al-based intermetallic alloys

    SciTech Connect

    Sikka, V.K.; Viswanathan, S.; McKamey, C.G.

    1993-06-01

    The Fe{sub 3}Al-based intermetallic alloys offer unique benefits of excellent oxidation and sulfidation resistance, limited by poor room-temperature (RT) ductility and low high-temperature strength. Recent understanding of environmental effects on RT ductility of these alloys has led to progress toward taking commercial advantage of Fe{sub 3}Al-based materials. Cause of low ductility appears to be related to hydrogen formed from reaction with moisture. The environmental effect has been reduced in these intermetallic alloys by two methods. The first deals with producing a more hydrogen-resistant microstructure through thermomechanical processing, and the second dealed with compositional modification. The alloys showing reduced environmental effect have been melted and processed by many different methods. Laboratory and commercial heats have been characterized. Tests have been conducted in both air and controlled environments to quantify environmental effects on these properties. These materials were also tested for aqueous corrosion and resistance to stress corrosion cracking. Oxidation and sulfidation data were generated and effects of minor alloying elements on were also investigated. Several applications have been identified for the newly developed iron aluminides. Commercialization status of these alloys is described.

  9. Mining for elastic constants of intermetallics from the charge density landscape

    NASA Astrophysics Data System (ADS)

    Kong, Chang Sun; Broderick, Scott R.; Jones, Travis E.; Loyola, Claudia; Eberhart, Mark E.; Rajan, Krishna

    2015-02-01

    There is a significant challenge in designing new materials for targeted properties based on their electronic structure. While in principle this goal can be met using knowledge of the electron charge density, the relationships between the density and properties are largely unknown. To help overcome this problem we develop a quantitative structure-property relationship (QSPR) between the charge density and the elastic constants for B2 intermetallics. Using a combination of informatics techniques for screening all the potentially relevant charge density descriptors, we find that C11 and C44 are determined solely from the magnitude of the charge density at its critical points, while C12 is determined by the shape of the charge density at its critical points. From this reduced charge density selection space, we develop models for predicting the elastic constants of an expanded number of intermetallic systems, which we then use to predict the mechanical stability of new systems. Having reduced the descriptors necessary for modeling elastic constants, statistical learning approaches may then be used to predict the reduced knowledge-based required as a function of the constituent characteristics.

  10. Strengthening by intermetallic nanoprecipitation in Fe–Cr–Al–Ti alloy

    DOE PAGESBeta

    Capdevila, C.; Aranda, M. M.; Rementeria, R.; Chao, J.; Urones-Garrote, E.; Aldazabal, J.; Miller, Michael K.

    2016-02-05

    In this paper, the strengthening mechanism observed during ageing at temperatures of 435 and 475 °C in the oxide dispersion strengthened (ODS) Fe–Cr–Al–Ti system has been investigated. Atom probe tomography (APT) and high-resolution transmission electron microscopy (HRTEM) analyses determined that the alloy undergoes simultaneous precipitation of Cr-rich (α' phase) and nanoscale precipitation of TiAl-rich intermetallic particles (β' phase). APT indicated that the composition of the intermetallic β' phase is Fe2AlTi0.6Cr0.4, and the evolving composition of α' phase with ageing time was also determined. The results obtained from HRTEM analyses allow us to confirm that the β' precipitates exhibit a cubicmore » structure and hence their crystallography is related to the Heusler-type Fe2AlTi (L21) structure. Finally, the strengthening could be explained on the basis of two hardening effects that occur simultaneously: the first is due to the α-α' phase separation through the modulus effect, and the second mechanism is due to the interaction of nanoscale β' particles with dislocations.« less

  11. Ultrafast and Highly Reversible Sodium Storage in Zinc-Antimony Intermetallic Nanomaterials

    SciTech Connect

    Nie, Anmin; Gan, Li-yong; Cheng, Yingchun; Tao, Xinyong; Yuan, Yifei; Sharifi-Asl, Soroosh; He, Kun; Asayesh-Ardakani, Hasti; Vasiraju, Venkata; Lu, Jun; Mashayek, Farzad; Klie, Robert; Vaddiraju, Sreeram; Schwingenschlögl, Udo; Shahbazian-Yassar, Reza

    2015-12-17

    The progress on sodium-ion battery technology faces many grand challenges, one of which is the considerably lower rate of sodium insertion/deinsertion in electrode materials due to the larger size of sodium (Na) ions and complicated redox reactions compared to the lithium-ion systems. Here, it is demonstrated that sodium ions can be reversibly stored in Zn-Sb intermetallic nanowires at speeds that can exceed 295 nm s-1. Remarkably, these values are one to three orders of magnitude higher than the sodiation rate of other nanowires electrochemically tested with in situ transmission electron micro­scopy. It is found that the nanowires display about 161% volume expansion after the first sodiation and then cycle with an 83% reversible volume expansion. Despite their massive expansion, the nanowires can be cycled without any cracking or facture during the ultrafast sodiation/desodiation process. Additionally, most of the phases involved in the sodiation/desodiation process possess high electrical conductivity. More specifically, the NaZnSb exhibits a layered structure, which provides channels for fast Na+ diffusion. This observation indicates that Zn-Sb intermetallic nanomaterials offer great promise as high rate and good cycling stability anodic materials for the next generation of sodium-ion batteries.

  12. New types of multishell nanoclusters with a Frank-Kasper polyhedral core in intermetallics.

    PubMed

    Blatov, Vladislav A; Ilyushin, Gregory D; Proserpio, Davide M

    2011-06-20

    A comprehensive study of the occurrence of two-shell clusters with the first shell as a Frank-Kasper polyhedron Z12, Z14, Z15, or Z16 (Frank-Kasper nanoclusters) is performed for 22,951 crystal structures of intermetallics containing only metal atoms. It is shown that besides the familiar Bergman and Mackay clusters, two more types of high-symmetrical icosahedron-based nanoclusters are rather frequent; they both have a 50-atom second shell. Moreover, two types of high-symmetrical Frank-Kasper nanoclusters with a Friauf-polyhedron (Z16) core are revealed; these nanoclusters have 44 and 58 atoms in the second shell. On the contrary, Z14 and Z15 Frank-Kasper polyhedra have been found to be rare and improper to form distinct nanoclusters in crystals. The second shells of Frank-Kasper nanoclusters have been revealed possessing their own stability: they can be realized in nanoclusters with different internal polyhedra and can shift around the core shell. The role of Frank-Kasper nanoclusters in assembling intermetallic crystal structures is illustrated by several examples.

  13. Gold–promoted structurally ordered intermetallic palladium cobalt nanoparticles for the oxygen reduction reaction

    DOE PAGESBeta

    Kuttiyiel, Kurian A.; Sasaki, Kotaro; Su, Dong; Wu, Lijun; Zhu, Yimei; Adzic, Radoslav R.

    2014-11-06

    Considerable efforts to make palladium and palladium alloys active catalysts and a possible replacement for platinum have had a marginal success. Here, we report on a structurally ordered Au₁₀Pd₄₀Co₅₀ catalyst that exhibits comparable activity to conventional platinum catalysts in both acid and alkaline media. Electron microscopic techniques demonstrate that via addition of gold atoms PdCo nanoparticles undergo at elevated temperatures an atomic structural transition from core-shell to a rare intermetallic ordered structure with twin boundaries forming stable {111}, {110} and {100} facets. The superior stability of this catalyst compared to platinum after 10,000 potential cycles in alkaline media is attributedmore » to the atomic structural order of PdCo nanoparticles along with protective effect of clusters of gold atoms on the surface. This strategy of making ordered palladium intermetallic alloy nanoparticles can be used in diverse heterogeneous catalysis where particle size and structural stability matters.« less

  14. Structural evolution of an intermetallic Pd-Zn catalyst selective for propane dehydrogenation.

    PubMed

    Gallagher, James R; Childers, David J; Zhao, Haiyan; Winans, Randall E; Meyer, Randall J; Miller, Jeffrey T

    2015-11-14

    We report the structural evolution of Pd-Zn alloys in a 3.6% Pd-12% Zn/Al2O3 catalyst which is selective for propane dehydrogenation. High signal-to-noise, in situ synchrotron X-ray diffraction (XRD) was used quantitatively, in addition to in situ diffuse-reflectance infrared Fourier transform spectroscopy (DRIFTS) and extended X-ray absorption fine structure (EXAFS) to follow the structural changes in the catalyst as a function of reduction temperature. XRD in conjunction with DRIFTS of adsorbed CO indicated that the β1-PdZn intermetallic alloy structure formed at reduction temperatures as low as 230 °C, likely first at the surface, but did not form extensively throughout the bulk until 500 °C which was supported by in situ EXAFS. DRIFTS results suggested there was little change in the surfaces of the nanoparticles above 325 °C. The intermetallic alloy which formed was Pd-rich at all temperatures but became less Pd-rich with increasing reduction temperature as more Zn incorporated into the structure. In addition to the β1-PdZn alloy, a solid solution phase with face-center cubic structure (α-PdZn) was present in the catalyst, also becoming more Zn-rich with increasing reduction temperature.

  15. Mechanical Properties of In-Situ FeAl-TiB2 Intermetallic Matrix Composites

    NASA Astrophysics Data System (ADS)

    Kim, Jonghoon; Park, Bonggyu; Park, Yongho; Park, Ikmin; Lee, Heesoo

    Intermetallic matrix composites reinforced with ceramic particles have received a great deal of attention. Iron aluminide is known to be a good material for the matrix in such composites. Two processes were used to fabricate FeAl-TiB2 intermetallic matrix composites. One was liquid melt in-situ mixing, and the other was arc melting and suction casting processes. FeAl-TiB2 IMCs obtained by two different methods were investigated to elucidate the influence of TiB2 content. In both methods, the grain size in the FeAl alloy decreased with the presence of titanium diboride. The grain size of in-situ FeAl-TiB2 IMCs became smaller than that of arc FeAl-TiB2 IMCs. Significant increase in fracture stress and hardness was achieved in the composites. The in-situ process gives clean, contamination-free matrix/reinforcement interface which maintained good bonding causing high load bearing capability. This contributed to the increase in the mechanical properties of composites.

  16. Numerical Investigation of the Ballistic Performance of Metal-Intermetallic Laminate Composites

    NASA Astrophysics Data System (ADS)

    Cao, Yang; Zhu, Shifan; Guo, Chunhuan; Vecchio, Kenneth S.; Jiang, Fengchun

    2015-08-01

    Metal-intermetallic laminate composites (MIL) based on the Ti-aluminide system are a new class of lightweight structural materials that can be used as either appliqué or structural armor. The explicit 2D finite element code LS-DYNA was employed to investigate the ballistic performance and failure mechanism of MIL composite plate subjected to impact loading. For comparison's sake, the penetration simulation was also conducted for a monolithic intermetallic Al3Ti sample under the same conditions. Damage tolerant abilities of the two targets were evaluated based on the analysis of the projectile tail velocity, crack density and absorbed material energy. The simulation results indicated that when cracks initiated in the Al3Ti matrix propagated to the interface between the matrix and reinforcement, their directions changed due to the bridging effect of the reinforcement Ti, which enabled the MIL composite to consume more energy as a result of the increase of the crack path lengths created by the crack deflection and bifurcation. Additionally, some other energy-absorbing mechanisms, such as deflection of cracks, plastic deformation of the ductile Ti also play important roles in enhancing the energy-absorbing capacity of the MIL composites.

  17. Self-irradiation damage to the local structure of plutonium and plutonium intermetallics

    SciTech Connect

    Booth, C. H.; Jiang Yu; Medling, S. A.; Wang, D. L.; Costello, A. L.; Schwartz, D. S.; Mitchell, J. N.; Tobash, P. H.; Bauer, E. D.; McCall, S. K.; Wall, M. A.; Allen, P. G.

    2013-03-07

    The effect of self-irradiation damage on the local structure of {delta}-Pu, PuAl{sub 2}, PuGa{sub 3}, and other Pu intermetallics has been determined for samples stored at room temperature using the extended x-ray absorption fine-structure (EXAFS) technique. These measurements indicate that the intermetallic samples damage at a similar rate as indicated in previous studies of PuCoGa{sub 5}. In contrast, {delta}-Pu data indicate a much slower damage accumulation rate. To explore the effect of storage temperature and possible room temperature annealing effects, we also collected EXAFS data on a {delta}-Pu sample that was held at less than 32 K for a two month period. This sample damaged much more quickly. In addition, the measurable damage was annealed out at above only 135 K. Data from samples of {delta}-Pu with different Ga concentrations and results on all samples collected from different absorption edges are also reported. These results are discussed in terms of the vibrational properties of the materials and the role of Ga in {delta}-Pu as a network former.

  18. Ab initio study of the structural, elastic, thermodynamic, electronic and vibration properties of TbMg intermetallic compound

    NASA Astrophysics Data System (ADS)

    Mogulkoc, Y.; Ciftci, Y. O.; Kabak, M.; Colakoglu, K.

    2014-07-01

    The structural, elastic, thermodynamic, electronic and vibrational properties of CsCl-type TbMg have been studied by performing ab initio calculations based on density functional theory using the Vienna Ab initio Simulation Package (VASP). The exchange correlation potential within the generalized-gradient approximation (GGA) of projector augmented wave (PAW) method is used. The calculated structural parameters, such as the lattice constant, bulk modulus, its pressure derivative, formation energy and second-order elastic constants are presented in this paper. The obtained results are compared with related experimental and theoretical studies. The electronic band calculations, total density of states (DOS), partial DOS and charge density are also presented. Formation enthalpy and Cauchy pressure are determined. In order to obtain more information the elastic properties such as Zener anisotropy factor, Poisson’s ratio, Young modulus, isotropic shear modulus, Debye temperature and melting point have been carried out. The elastic constants are calculated in zero and different pressure ranges (0-50 GPa) with bulk modulus. We have performed the thermodynamic properties of TbMg by using quasi-harmonic Debye model. The temperature and pressure variation of the volume, bulk modulus, and thermal expansion coefficient have been predicted over a pressure range of 0-25 GPa for of TbMg. Pressure dependence of the anisotropy factors, Young’s modulus, Poisson’s ratios, bulk modulus and axis compressibility of TbMg are presented along different directions and planes. Finally, the phonon dispersion curves are presented for TbMg.

  19. Exploratory study of elevated-temperature tensile properties of alloys based on the intermetallic compound TiNi

    NASA Technical Reports Server (NTRS)

    Garfinkle, M.

    1974-01-01

    The tensile properties and oxygen contamination behavior of TiNi alloyed with aluminum, chromium, and silicon were investigated in the temperature range between 800 and 1000 K (980 and 1340 F). The alloys were significantly stronger than unalloyed TiNi and less susceptible to embrittlement than the Ti-6242 alloy.

  20. Study of the superconducting properties of the new intermetallic compound {{Zr}}_{1-x}{{Nb}}_{x}{B}_{2}

    NASA Astrophysics Data System (ADS)

    Marques, M. D. R.; Portela, F. S.; Corredor, L. T.; Zhang, G.; Vanacken, J.; Moshchalkov, V. V.; Correa, L. E.; Renosto, S. T.; Cigarroa, O.; Machado, A. J. S.; Aguiar, J. Albino

    2016-09-01

    In this paper we report on the synthesis and the structural, electrical, magnetic and thermal analysis for the new material {{{Zr}}}1-x{{{Nb}}}x{{{B}}}2 (0.01 ≤slant x ≤slant 0.05). A superconducting transition was observed for all x values studied, despite the non-superconducting matrix ZrB2, which indicates that the superconducting state is induced by the presence of Nb. The results show that the critical temperature increases with Nb content, reaching its maximum (T c = 8.1 K) for x = 0.04. From the specific heat data we find a Sommerfeld constant of γ = 1.6 mJ molK‑2 and a Debye temperature of {θ }D = 615.5 K. Unconventional behaviors are observed in specific heat dependence with temperature and in {H}{{c}1}(T) diagram. These behaviors are investigated in {C}{{e}}/T versus T curve, where an upturn appears for T\\lt 2.3 K, and in {ln}({C}{{e}}/γ {T}{{c}}) versus {T}{{c}}/T dependence, which shows a clear deviation from BCS theory for low temperatures. Also, contrary to the conventional theories we found a positive curvature for temperatures near T c in the lower critical field, besides an upturn around 2.3 K. We suggest that these behaviors possibly arise from multiband superconductivity in {{Zr}}0.96{{Nb}}0.04{{{B}}}2.

  1. Synthesis and characteristic of FeNi{sub 3} intermetallic compound obtained by electrical explosion of wire

    SciTech Connect

    Bac, L.H.; Kwon, Y.S.; Kim, J.S.; Lee, Y.I.; Lee, D.W.; Kim, J.C.

    2010-03-15

    In this work, the FeNi{sub 3} permalloy nanopowder was synthesized by wire explosion in deionized water. X-ray diffraction was used to identify and characterize the prepared nanopowder exhibiting a FeNi{sub 3} phase. The morphology and size of the prepared powders were observed by field emission-scanning electron microscopy and transmission electron microscopy. The compositions of the wire before exploding and the nanopowder were determined with electron probe microanalysis. The results indicate that the FeNi{sub 3} permalloy nanopowder was synthesized with an average particle size {approx}50 nm. The magnetic properties of the nanopowder indicate a symmetric hysteresis loop of ferromagnetic behavior with coercivity of 199.3 Oe and saturation magnetization of 56.7 emu/g.

  2. Investigation of Strain Aging in the Ordered Intermetallic Compound beta-NiAl. Ph.D. Thesis Final Contractor Report

    NASA Technical Reports Server (NTRS)

    Weaver, Mark Lovell

    1995-01-01

    The phenomenon of strain aging has been investigated in polycrystalline and single crystal NiAl alloys at temperatures between 300 and 1200 K. Static strain aging studies revealed that after annealing at 1100 K for 7200 s (i.e., 2h) followed by furnace cooling, high purity, nitrogen-doped and titanium-doped polycrystalline alloys exhibited continuous yielding, while conventional-purity and carbon-doped alloys exhibited distinct yield points and Luders strains. Prestraining by hydrostatic pressurization removed the yield points, but they could be reintroduced by further annealing treatments. Yield points could be reintroduced more rapidly if the specimens were prestrained uniaxially rather than hydrostatically, owing to the arrangement of dislocations into cell structures during uniaxial deformation. The time dependence of the strain aging events followed at t(exp 2/3) relationship suggesting that the yield points observed in polycrystalline NiAl were the result of the pinning of mobile dislocations by interstitials, specifically carbon. Between 700 and 800 K, yield stress plateaus, yield stress transients upon a ten-fold increase in strain rate, work hardening peaks, and dips in the strain rate sensitivity (SRS) have been observed in conventional-purity and carbon-doped polycrystals. In single crystals, similar behavior was observed; in conventional-purity single crystals, however, the strain rate sensitivity became negative resulting in serrated yielding, whereas, the strain rate sensitivity stayed positive in high purity and in molybdenum-doped NiAl. These observations are indicative of dynamic strain aging (DSA) and are discussed in terms of conventional strain aging theories. The impact of these phenomena on the composition-structure-property relations are discerned. Finally, a good correlation has been demonstrated between the properties of NiAl alloys and a recently developed model for strain aging in metals and alloys developed by Reed-Hill et al.

  3. Evidence of a Lifshitz transition in the high-pressure behavior of the intermetallic compound AuIn2

    NASA Astrophysics Data System (ADS)

    Godwal, B. K.; Meenakshi, S.; Modak, P.; Rao, R. S.; Sikka, S. K.; Vijayakumar, V.; Bussetto, E.; Lausi, A.

    2002-04-01

    Accurate equation of state of AuIn2 was obtained by x-ray diffraction measurements with ELETTRA synchrotron source to pressures over 20 GPa. Below 5 GPa, the P-V data when transformed to universal equation of state (UEOS), shows a deviation from linearity, confirming an electronic transition, consistent with the anomaly observed earlier in fusion and electrical data. The present high-resolution data also reaffirm a structural phase transition beyond 9 GPa. Full potential electronic band-structure calculations reveal a Lifshitz transition at the observed anomaly in the UEOS. Its transition pressure was found to be sensitive to the exchange-correlation terms.

  4. Tetragonal-antiprismatic coordination of transition metals in intermetallic compounds: ω1-Mn6Ga29 and its structuralrelationships

    NASA Astrophysics Data System (ADS)

    Antonyshyn, Iryna; Prots, Yurii; Margiolaki, Irene; Schmidt, Marcus Peter; Zhak, Olga; Oryshchyn, Stepan; Grin, Yuri

    2013-03-01

    The new phase ω1-Mn6Ga29 was synthesised in single-crystal form from the elements applying the high-temperature centrifugation-aided filtration technique. The crystal structure was determined using diffraction data collected from a twinned specimen: a new prototype, space group P1¯; a=6.3114(2) Å, b=9.9557(3) Å, c=18.920(1) Å, α=90.473(1)°, β=90.847(1)°, γ=90.396(1)°; R1=0.047, wR2=0.117 for 317 variable parameters and 7346 observed reflections; twinning matrix 0 0 -1/3, 0 -1 0, -3 0 0; twin domains ratio 0.830(3):0.170. All manganese atoms in the crystal structure of ω1-Mn6Ga29 are coordinated exclusively by Ga forming distorted tetragonal antiprisms. The monocapped [MnGa8+1] antiprisms condense into pairs by sharing their pseudo-quadratic faces and are interconnected via common apexes and edges to form a 3D framework. The relationship between the crystal structures of ω1-Mn6Ga29 and CuAl2, α-, β-CoSn3, PtSn4, Ti4MnBi2, PdGa5, Rh3Ga16, Rh4Ga21, Al7FeCu2, Co2Al9, and RhBi4 is discussed.

  5. Study of the superconducting properties of the new intermetallic compound {{Zr}}_{1-x}{{Nb}}_{x}{B}_{2}

    NASA Astrophysics Data System (ADS)

    Marques, M. D. R.; Portela, F. S.; Corredor, L. T.; Zhang, G.; Vanacken, J.; Moshchalkov, V. V.; Correa, L. E.; Renosto, S. T.; Cigarroa, O.; Machado, A. J. S.; Aguiar, J. Albino

    2016-09-01

    In this paper we report on the synthesis and the structural, electrical, magnetic and thermal analysis for the new material {{{Zr}}}1-x{{{Nb}}}x{{{B}}}2 (0.01 ≤slant x ≤slant 0.05). A superconducting transition was observed for all x values studied, despite the non-superconducting matrix ZrB2, which indicates that the superconducting state is induced by the presence of Nb. The results show that the critical temperature increases with Nb content, reaching its maximum (T c = 8.1 K) for x = 0.04. From the specific heat data we find a Sommerfeld constant of γ = 1.6 mJ molK-2 and a Debye temperature of {θ }D = 615.5 K. Unconventional behaviors are observed in specific heat dependence with temperature and in {H}{{c}1}(T) diagram. These behaviors are investigated in {C}{{e}}/T versus T curve, where an upturn appears for T\\lt 2.3 K, and in {ln}({C}{{e}}/γ {T}{{c}}) versus {T}{{c}}/T dependence, which shows a clear deviation from BCS theory for low temperatures. Also, contrary to the conventional theories we found a positive curvature for temperatures near T c in the lower critical field, besides an upturn around 2.3 K. We suggest that these behaviors possibly arise from multiband superconductivity in {{Zr}}0.96{{Nb}}0.04{{{B}}}2.

  6. Catalytic Properties Dominated by Electronic Structures in PdZn, NiZn, and PtZn Intermetallic Compounds

    NASA Astrophysics Data System (ADS)

    Nozawa, Kazuki; Endo, Naruki; Kameoka, Satoshi; Tsai, An Pang; Ishii, Yasushi

    2011-06-01

    The catalytic functions of Pd are completely modified by alloying with Zn, and PdZn exhibits comparable catalytic selectivity to Cu in the steam reforming of methanol (SRM). We perform theoretical and experimental studies to confirm our previous argument that the position of the d-band is a significant factor determining catalytic properties. First-principles slab calculations for M--Zn (M = Pd, Ni, Pt) reveal that the bond breaking on the surface leads to some reduction in the d-bandwidth, but that the position of the d-band for stable surfaces remains essentially unchanged from that of the bulk. The origin of the dramatic change in the electronic structure caused by alloying is theoretically demonstrated. Our previous argument is experimentally examined not only in SRM, but also in elemental reactions such as CO and H2 adsorptions. Magnetic measurements also indicate the importance of the d-band position in SRM.

  7. Atomic site preferences and its effect on magnetic structure in the intermetallic borides M2Fe(Ru0.8T0.2)5B2 (M=Sc, Ti, Zr; T=Ru, Rh, Ir)

    NASA Astrophysics Data System (ADS)

    Brgoch, Jakoah; Mahmoud, Yassir A.; Miller, Gordon J.

    2012-12-01

    The site preference for a class of intermetallic borides following the general formula M2Fe(Ru0.8T0.2)5B2 (M=Sc, Ti, Zr; T=Ru, Rh, Ir), has been explored using ab initio and semi-empirical electronic structure calculations. This intermetallic boride series contains two potential sites, the Wyckoff 2c and 8j sites, for Rh or Ir to replace Ru atoms. Since the 8j site is a nearest neighbor to the magnetically active Fe atom, whereas the 2c site is a next nearest neighbor, the substitution pattern should play an important role in the magnetic structure of these compounds. The substitution preference is analyzed based on the site energy and bond energy terms, both of which arise from a tight-binding evaluation of the electronic band energy, and are known to influence the locations of atoms in extended solids. According to these calculations, the valence electron-rich Rh and Ir atoms prefer to occupy the 8j site, a result also corroborated by experimental evidence. Additionally, substitution of Rh or Ir at the 8j site results in a modification of the magnetic structure that ultimately results in larger local magnetic moment on the Fe atoms.

  8. Competing anisotropies on 3d sub-lattice of YNi{sub 4–x}Co{sub x}B compounds

    SciTech Connect

    Caraballo Vivas, R. J.; Rocco, D. L.; Reis, M. S.; Caldeira, L.; Coelho, A. A.

    2014-08-14

    The magnetic anisotropy of 3d sub-lattices has an important rule on the overall magnetic properties of hard magnets. Intermetallics alloys with boron (R-Co/Ni-B, for instance) belong to those hard magnets family and are useful objects to help to understand the magnetic behavior of 3d sub-lattice, specially when the rare earth ions R do not have magnetic nature, like YCo{sub 4}B ferromagnetic material. Interestingly, YNi{sub 4}B is a paramagnetic material and Ni ions do not contribute to the magnetic anisotropy. We focused therefore our attention to YNi{sub 4–x}Co{sub x}B series, with x = 0, 1, 2, 3, and 4. The magnetic anisotropy of these compounds is deeper described using statistical and preferential models of Co occupation among the possible Wyckoff positions into the CeCo{sub 4}B type hexagonal structure. We found that the preferential model is the most suitable to explain the magnetization experimental data.

  9. Synthesis of early transition metal and non-equilibrium intermetallic nanoparticles using n-butyllithium

    NASA Astrophysics Data System (ADS)

    Bondi, James F.

    Over the past decade, the role of inorganic nanomaterials has become an essential cornerstone for modern research applications. Despite these applications becoming progressively more advanced, the field of nanoscience is dependent on a material's physical and chemical properties which are affected by factors such as size, shape, composition, and crystal structure. One synthetic approach to yield inorganic nanomaterials with great control is solution-based methods, particularly the reduction of metal salt precursors. Non-equilibrium phases and early transition metals represent one class of materials that may result in new and enhanced properties at the nanoscale but are challenging to synthesize. In this dissertation, I present my studies on synthesizing non-equilibrium intermetallics and early transition metal nanoparticles using n-butyllithium and solution-based methods. By utilizing a template-driven approach, I first report an optimized synthesis for the non-equilibrium L12-type Au 3M1-x ( M = Fe, Co, or Ni) intermetallics with morphological, compositional, and structural control. Modifying a previous n-butyllithium procedure, it was possible to identify key variables (solvent, order of reagent addition, stabilizer, and heating rate) which led to the generation of high phase purity and increased sample sizes. Aliquot studies showed that the intermetallic nanoparticles were formed through the initial nucleation of Au nanoparticles, followed by subsequent incorporation of the 3d transition metal. Property studies of the non-equilibrium phases found that Au3Fe1- x and Au3Co1-x nanoparticles are superparamagnetic with TB = 7.9 K and 2.4 K, respectively, while Au3Ni 1-x is weakly paramagnetic down to 1.8 K. Elemental analysis by energy dispersive X-ray spectroscopy and refinement of electron diffraction patterns confirmed Au3Fe1- x with a composition of approximately Au3Fe 0.7. The 3d transition metal deficiency in the non-equilibrium Au3 M1-x phases was studied by

  10. Enhanced negative thermal expansion in La(1-x)Pr(x)Fe10.7Co0.8Si1.5 compounds by doping the magnetic rare-earth element praseodymium.

    PubMed

    Li, Wen; Huang, Rongjin; Wang, Wei; Tan, Jie; Zhao, Yuqiang; Li, Shaopeng; Huang, Chuanjun; Shen, Jun; Li, Laifeng

    2014-06-01

    Experiments have been performed to enhance negative thermal expansion (NTE) in the La(Fe,Co,Si)13-based compounds by optimizing the chemical composition, i.e., proper substitution of La by magnetic element Pr. It is found that increasing the absolute value of the average coefficient of thermal expansion (CTE) in the NTE temperature region (200-300 K) attributes to enhancement of the spontaneous magnetization and its growth rate with increasing Pr content. Typically, the average CTE of La(1-x)Pr(x)Fe10.7Co0.8Si1.5 with x = 0.5 reaches as large as -38.5 × 10(-6) K(-1) between 200 and 300 K (ΔT = 100 K), which is 18.5% larger than that of x = 0. The present results highlight the potential applications of La(Fe,Co,Si)13-based compounds with a larger NTE coefficient.

  11. Enhanced negative thermal expansion in La(1-x)Pr(x)Fe10.7Co0.8Si1.5 compounds by doping the magnetic rare-earth element praseodymium.

    PubMed

    Li, Wen; Huang, Rongjin; Wang, Wei; Tan, Jie; Zhao, Yuqiang; Li, Shaopeng; Huang, Chuanjun; Shen, Jun; Li, Laifeng

    2014-06-01

    Experiments have been performed to enhance negative thermal expansion (NTE) in the La(Fe,Co,Si)13-based compounds by optimizing the chemical composition, i.e., proper substitution of La by magnetic element Pr. It is found that increasing the absolute value of the average coefficient of thermal expansion (CTE) in the NTE temperature region (200-300 K) attributes to enhancement of the spontaneous magnetization and its growth rate with increasing Pr content. Typically, the average CTE of La(1-x)Pr(x)Fe10.7Co0.8Si1.5 with x = 0.5 reaches as large as -38.5 × 10(-6) K(-1) between 200 and 300 K (ΔT = 100 K), which is 18.5% larger than that of x = 0. The present results highlight the potential applications of La(Fe,Co,Si)13-based compounds with a larger NTE coefficient. PMID:24848739

  12. Organic compounds in meteorites

    NASA Technical Reports Server (NTRS)

    Lawless, J. G.

    1980-01-01

    Recent studies of carbonaceous chondrites provide evidence that certain organic compounds are indigenous and the result of an abiotic, chemical synthesis. The results of several investigators have established the presence of amino acids and precursors, mono- and dicarboxylic acids, N-heterocycles, and hydrocarbons as well as other compounds. For example, studies of the Murchison and Murray meteorites have revealed the presence of at least 40 amino acids with nearly equal abundances of D and L isomers. The population consists of both protein and nonprotein amino acids including a wide variety of linear, cyclic, and polyfunctional types. Results show a trend of decreasing concentration with increasing carbon number, with the most abundant being glycine (41 n Moles/g). These and other results to be reviewed provide persuasive support for the theory of chemical evolution and provide the only natural evidence for the protobiological subset of molecules from which life on earth may have arisen.

  13. The effects of solidification and atomization on rare-earth alloys

    NASA Astrophysics Data System (ADS)

    Anderson, Iver E.; Osborne, M. G.; Ellis, T. W.

    1996-03-01

    This article discusses the results of experiments involving the application of atomization techniques to the production of three selected rare-earth intermetallic (REI) materials. High-pressure gas atomization and centrifugal atomization into a rotating quench bath have been used to process the alloys. Rapid-solidification processing by atomization techniques is of great benefit since optimum performance of these REI materials demands chemical and structural homogeneity. The results demonstrate that such careful solidification microstructure control is required if the benefits of REI-alloy properties are to be realized with maximum processing efficiency.

  14. Enhanced cycling stability of hybrid Li-air batteries enabled by ordered Pd3Fe intermetallic electrocatalyst.

    PubMed

    Cui, Zhiming; Li, Longjun; Manthiram, Arumugam; Goodenough, John B

    2015-06-17

    We report an ordered Pd3Fe intermetallic catalyst that exhibits significantly enhanced activity and durability for the oxygen reduction reaction under alkaline conditions. Ordered Pd3Fe enables a hybrid Li-air battery to exhibit the best reported full-cell cycling performance (220 cycles, 880 h). PMID:26020366

  15. Results on powder injection molding of Ni{sub 3}Al and application to other intermetallic compositions

    SciTech Connect

    Cooper, R.M.

    1992-12-31

    Net forming processes are under development to allow affordable production of intermetallic components. Powder injection molding (PIM) mav be employed for the production of complex-shaped intermetallic geometries. Proper choice of powder parameters and processing conditions can lead to the formation of fullv dense structures through pressure-less sintering. In this study, Ni{sub 3}Al with 0.04 wt.-% boron has been successfully injection molded and sintered to full density. A yield strength of 340 MPa, ultimate tensile strength (UTS) of 591 MPa, and 8% elongation were attained for injection molded and sintered tensile bars. Powder characteristics and sintering behavior are given for the nickel aluminide employed in this study to highlight the powder attributes needed for injection molding. Molding parameters, debinding and sintering schedules, along, with mechanical properties are presented to indicate the viability of PIM for intermetallics. This approach based on the understanding of key powder characteristics and use of the reactive synthesis powder process mav be extended to the successful injection molding of other intermetallic systems.

  16. Results on powder injection molding of Ni[sub 3]Al and application to other intermetallic compositions

    SciTech Connect

    Cooper, R.M.

    1992-01-01

    Net forming processes are under development to allow affordable production of intermetallic components. Powder injection molding (PIM) mav be employed for the production of complex-shaped intermetallic geometries. Proper choice of powder parameters and processing conditions can lead to the formation of fullv dense structures through pressure-less sintering. In this study, Ni[sub 3]Al with 0.04 wt.-% boron has been successfully injection molded and sintered to full density. A yield strength of 340 MPa, ultimate tensile strength (UTS) of 591 MPa, and 8% elongation were attained for injection molded and sintered tensile bars. Powder characteristics and sintering behavior are given for the nickel aluminide employed in this study to highlight the powder attributes needed for injection molding. Molding parameters, debinding and sintering schedules, along, with mechanical properties are presented to indicate the viability of PIM for intermetallics. This approach based on the understanding of key powder characteristics and use of the reactive synthesis powder process mav be extended to the successful injection molding of other intermetallic systems.

  17. Polybenzimidazole compounds

    DOEpatents

    Klaehn, John R.; Peterson, Eric S.; Wertsching, Alan K.; Orme, Christopher J.; Luther, Thomas A.; Jones, Michael G.

    2010-08-10

    A PBI compound that includes imidazole nitrogens, at least a portion of which are substituted with an organic-inorganic hybrid moiety. At least 85% of the imidazole nitrogens may be substituted. The organic-inorganic hybrid moiety may be an organosilane moiety, for example, (R)Me.sub.2SiCH.sub.2--, where R is selected from among methyl, phenyl, vinyl, and allyl. The PBI compound may exhibit similar thermal properties in comparison to the unsubstituted PBI. The PBI compound may exhibit a solubility in an organic solvent greater than the solubility of the unsubstituted PBI. The PBI compound may be included in separatory media. A substituted PBI synthesis method may include providing a parent PBI in a less than 5 wt % solvent solution. Substituting may occur at about room temperature and/or at about atmospheric pressure. Substituting may use at least five equivalents in relation to the imidazole nitrogens to be substituted or, preferably, about fifteen equivalents.

  18. Polybenzimidazole compounds

    DOEpatents

    Klaehn, John R.; Peterson, Eric S.; Orme, Christopher J.; Jones, Michael G.; Wertsching, Alan K.; Luther, Thomas A.; Trowbridge, Tammy L.

    2011-11-22

    A PBI compound includes imidazole nitrogens at least a portion of which are substituted with a moiety containing a carbonyl group, the substituted imidazole nitrogens being bonded to carbon of the carbonyl group. At least 85% of the nitrogens may be substituted. The carbonyl-containing moiety may include RCO--, where R is alkoxy or haloalkyl. The PBI compound may exhibit a first temperature marking an onset of weight loss corresponding to reversion of the substituted PBI that is less than a second temperature marking an onset of decomposition of an otherwise identical PBI compound without the substituted moiety. The PBI compound may be included in separatory media. A substituted PBI synthesis method may include providing a parent PBI in a less than 5 wt % solvent solution. Substituting may use more than 5 equivalents in relation to the imidazole nitrogens to be substituted.

  19. SEPARATION PROCESS FOR ZIRCONIUM AND COMPOUNDS THEREOF

    DOEpatents

    Crandall, H.W.; Thomas, J.R.

    1959-06-30

    The separation of zirconium from columbium, rare earths, yttrium and the alkaline earth metals, such mixtures of elements occurring in zirconium ores or neutron irradiated uranium is described. According to the invention a suitable separation of zirconium from a one normal acidic aqueous solution containing salts, nitrates for example, of tetravalent zirconium, pentavalent columbium, yttrium, rare earths in the trivalent state and alkaline earths can be obtained by contacting the aqueous solution with a fluorinated beta diketonc alone or in an organic solvent solution, such as benzene, to form a zirconium chelate compound. When the organic solvent is present the zirconium chelate compound is directly extracted; otherwise it is separated by filtration. The zirconium may be recovered from contacting the organic solvent solution containing the chelated compound by back extraction with either an aqueous hydrofluoric acid or an oxalic acid solution.

  20. Crew Earth Observations

    NASA Technical Reports Server (NTRS)

    Runco, Susan

    2009-01-01

    Crew Earth Observations (CEO) takes advantage of the crew in space to observe and photograph natural and human-made changes on Earth. The photographs record the Earth's surface changes over time, along with dynamic events such as storms, floods, fires and volcanic eruptions. These images provide researchers on Earth with key data to better understand the planet.