Quaternary structure and apical membrane sorting of the mammalian NaSi-1 sulfate transporter in renal cell lines.

PubMed

Regeer, Ralf R; Nicke, Annette; Markovich, Daniel

2007-01-01

NaSi-1 encodes a Na(+)-sulfate cotransporter expressed on the apical membrane of renal proximal tubular cells, which is responsible for body sulfate homeostasis. Limited information is available on NaSi-1 protein structure and the mechanisms controlling its apical membrane sorting. The aims of this study were to biochemically determine the quaternary structure of the rat NaSi-1 protein and to characterize its expression in renal epithelial cell lines. Hexahistidyl-tagged NaSi-1 (NaSi-1-His) proteins expressed in Xenopus oocytes, appeared as two bands of about 60 and 75 kDa. PNGase F treatment shifted both bands to 57 kDa while endoglycosidase H treatment led to a downward shift of the lower molecular mass band only. Mutagenesis of a putative N-glycosylation site (N591S) produced a single band that was not shifted by endoglycosidase H or PNGase F, confirming a single glycosylation site at residue 591. Blue native-PAGE and cross-linking experiments revealed dimeric complexes, suggesting the native form of NaSi-1 to be a dimer. Transient transfection of EGFP/NaSi-1 in renal epithelial cells (OK, LLC-PK1 and MDCK) demonstrated apical membrane sorting, which was insensitive to tunicamycin. Transfection of the EGFP/NaSi-1 N591S glycosylation mutant also showed apical expression, suggesting N591 is not essential for apical sorting. Treatment with cholesterol depleting compounds did not disrupt apical sorting, but brefeldin A led to misrouting to the basolateral membrane, suggesting that NaSi-1 sorting is through the ER to Golgi pathway. Our data demonstrates that NaSi-1 forms a dimeric protein which is glycosylated at N591, whose sorting to the apical membrane in renal epithelial cells is brefeldin A-sensitive and independent of lipid rafts or glycosylation.

Optimization of NaOH Molarity, LUSI Mud/Alkaline Activator, and Na2SiO3/NaOH Ratio to Produce Lightweight Aggregate-Based Geopolymer

PubMed Central

Abdul Razak, Rafiza; Abdullah, Mohd Mustafa Al Bakri; Hussin, Kamarudin; Ismail, Khairul Nizar; Hardjito, Djwantoro; Yahya, Zarina

2015-01-01

This paper presents the mechanical function and characterization of an artificial lightweight geopolymer aggregate (ALGA) using LUSI (Sidoarjo mud) and alkaline activator as source materials. LUSI stands for LU-Lumpur and SI-Sidoarjo, meaning mud from Sidoarjo which erupted near the Banjarpanji-1 exploration well in Sidoarjo, East Java, Indonesia on 27 May 2006. The effect of NaOH molarity, LUSI mud/Alkaline activator (LM/AA) ratio, and Na2SiO3/NaOH ratio to the ALGA are investigated at a sintering temperature of 950 °C. The results show that the optimum NaOH molarity found in this study is 12 M due to the highest strength (lowest AIV value) of 15.79% with lower water absorption and specific gravity. The optimum LUSI mud/Alkaline activator (LM/AA) ratio of 1.7 and the Na2SiO3/NaOH ratio of 0.4 gives the highest strength with AIV value of 15.42% with specific gravity of 1.10 g/cm3 and water absorption of 4.7%. The major synthesized crystalline phases were identified as sodalite, quartz and albite. Scanning Electron Microscope (SEM) image showed more complete geopolymer matrix which contributes to highest strength of ALGA produced. PMID:26006238

On the existence of a high-temperature polymorph of Na2Ca6Si4O15—implications for the phase equilibria in the system Na2O-CaO-SiO2

NASA Astrophysics Data System (ADS)

Kahlenberg, Volker; Maier, Matthias

2016-12-01

Singe crystals of a new high-temperature polymorph of Na2Ca6Si4O15 have been obtained from solid state reactions performed at 1300 °C. The basic crystallographic data of this so-called β-phase at ambient conditions are as follows: space group P1 c1, a = 9.0112(5) Å, b = 7.3171(5) Å, c = 10.9723(6) Å, β = 107.720(14)°, V = 689.14(7) Å3, Z = 2. The crystals showed twinning by reticular merohedry (mimicking an orthorhombic C-centred unit cell) which was accounted for during data processing and structure solution. Structure determination was accomplished by direct methods. Least-squares refinements resulted in a residual of R(|F|) = 0.043 for 5811 observed reflections with I > 2σ(I). From a structural point of view β-Na2Ca6Si4O15 can be attributed to the group of mixed-anion silicates containing [Si2O7]-dimers as well as isolated [SiO4]-tetrahedra in the ratio 1:2, i.e. more precisely the formula can be written as Na2Ca6[SiO4]2[Si2O7]. The tetrahedral groups are arranged in layers parallel to (100). Sodium and calcium cations are located between the silicate anions for charge compensation and are coordinated by six to eight nearest oxygen ligands. Alternatively, the structure can be described as a mixed tetrahedral-octahedral framework based on kröhnkite-type [Ca(SiO4)2O2]-chains in which the CaO6-octahedra are corner-linked to bridging SiO4-tetrahedra. The infinite chains are running parallel to [001] and are concentrated in layers parallel to (010). Adjacent layers are shifted relative to each other by an amount of +δ or -δ along a*. Consequently, a …ABABAB… stacking sequence is created. A detailed comparison with related structures such as α-Na2Ca6Si4O15 and other A2B6Si4O15 representatives including topological as well as group theoretical aspects is presented. There are strong indications that monoclinic Na2Ca3Si2O8 mentioned in earlier studies is actually misinterpreted β-Na2Ca6Si4O15. In addition to the detailed crystallographic analysis of

Thermodynamic modeling of melts in the system Na 2O-NaAlO 2-SiO 2-F 2O -1

NASA Astrophysics Data System (ADS)

Dolejš, David; Baker, Don R.

2005-12-01

Fluorine is a common volatile element in magmatic-hydrothermal systems, but its solution mechanisms and thermodynamic description in highly polymerized silicate melts are poorly known. We have developed a thermodynamic model for fluorosilicate liquids that links experimentally determined phase equilibria and spectroscopic information on melt structure. The model is applicable to crystallization of fluoride minerals, fluoride-silicate immiscibility in natural felsic melts, and metallurgical processes. Configurational properties of fluorosilicate melts are described by mixing on three site levels (sublattices): (1) alkali fluoride, polyhedral aluminofluoride and silicofluoride species and nonbridging terminations of the aluminosilicate network, (2) alkali-aluminate and silicate tetrahedra within the network and (3) bridging oxygen, nonbridging oxygen and terminal fluorine atoms on tetrahedral apices of the network. Abundances of individual chemical species are described by a homogeneous equilibrium representing melt depolymerization: F - (free) + O 0 (bridging) = F 0 (terminal) + O - (nonbridging) which corresponds to a replacement of an oxygen bridging two tetrahedra by a pair of terminations, one with F and the other with an O and a charge-balancing Na. In cryolite-bearing systems two additional interaction mechanisms occur: (1) the self-dissociation of octahedral aluminofluoride complexes: [AlF 6] = [AlF 4] + 2 [F], and (2) the short-range order between (O,F)-corners and (Si,NaAl)-centers of tetrahedra: Si-O-Si + 2 [NaAl]-F = [NaAl]-O-[NaAl] + 2 Si-F. Portrayal of these equilibria in ternary Thompson reaction space allows for the decrease in the number of interaction mechanisms by linearly combining melt depolymerization with tetrahedral short-range order. In this formulation, the nonideal thermodynamic properties are represented by reaction energies of homogeneous equilibria, thus defining directly individual chemical species concentrations and configurational

Thermodynamic properties of Na2O-SiO2-CaO melts at 1000 to 1100 °C

NASA Astrophysics Data System (ADS)

Neudorf, D. A.; Elliott, J. F.

1980-12-01

The thermodynamic properties of Na2O-SiO2 and Na2O-SiO2-CaO melts have been measured using the galvanic cellbegin{array}{*{20}c} {O_2 (g), (Na_2 O), Pt} \\ {Na_2 O - WO_3 liq} \\ left| begin{gathered} Na^ + \\ β - alumina \\ right| begin{array}{*{20}c} {Pt,(Na_2 O), O_2 (g)} \\ {Na_2 O - SiO_2 - CaO liq} \\ Activities of Na2O were calculated from the reversible emf of the cell. This is possible because the activity of Na2O in the Na2O-WO3 liquid is known from previous work. Data for the binary Na2O-SiO2 system were obtained between 1000 and 1100 °C and for compositions ranging from 25 wt pct to 40 wt pct Na2O. At 1050 °C, Loga_{Na_2 O} varied from approximately 10.2 at 25 wt pct Na2O to approximately -8.3 at 40 wt pct Na2O, the dependence with respect to composition being nearly linear. The Gibbs-Duhem equation was used to calculate the activities of SiO2(s), and the integral mixing properties, G M, HM, and S M, were derived. At the di-silicate composition, G M = -83 kJ/mol, H M = -41 kJ mol and S M = 33 J/mol K at 1000 °C. (Standard states are pure, liquid Na2O and pure, solid tridymite.) The activity data are interpreted in terms of the polymeric nature of silicate melts. Activities of Na2O in the Na2O-CaO-SiO2 system were measured for the 25, 30 and 35 wt pct Na2O binary compositions with up to 10 wt pct CaO added. The addition of CaO caused an increase in the activity of Na2O at constantN_{Na_2 O} /N_{SiO_2 } . The experimental data agree well with the behavior predicted by Richardson’s ternary mixing model.

Shock-induced transformations in the system NaAlSiO4-SiO2 - A new interpretation

NASA Technical Reports Server (NTRS)

Sekine, Toshimori; Ahrens, Thomas J.

1992-01-01

New internally consistent interpretations of the phases represented by the high pressure phase shock wave data for an albite-rich rock, jadeite, and nepheline in the system NaAlSiO4-SiO2, are obtained using the results of static high pressure investigations, and the recent discovery of the hollandite phase in a shocked meteorite. We conclude that nepheline transforms directly to the calcium ferrite structure, whereas albite transforms possibly to the hollandite structure. Shock Hugoniots for the other plagioclase and alkali feldspars also indicate that these transform to hollandite structures. The pressure-volume data at high pressure could alternatively represent the compression of an amorphous phase. Moreover, the shock Hugoniot data are expected to reflect the properties of the melt above shock stresses of 60-80 GPa. The third order Birch-Murnaghan equation of state parameters are given for the calcium ferrite type NaAlSiO4 and for albite-rich, orthoclase-rich, and anorthite-rich hollandites.

Crystallization kinetics of bioactive glasses in the ZnO-Na2O-CaO-SiO2 system.

PubMed

Malavasi, Gianluca; Lusvardi, Gigliola; Pedone, Alfonso; Menziani, Maria Cristina; Dappiaggi, Monica; Gualtieri, Alessandro; Menabue, Ledi

2007-08-30

The crystallization kinetics of Na(2)O.CaO.2SiO(2) (x = 0) and 0.68ZnO.Na(2)O.CaO.2SiO(2) (x = 0.68, where x is the ZnO stoichiometric coefficient in the glass formula) bioactive glasses have been studied using both nonisothermal and isothermal methods. The results obtained from isothermal XRPD analyses have showed that the first glass crystallizes into the isochemical Na(2)CaSi(2)O(6) phase, whereas the Na(2)ZnSiO(4) crystalline phase is obtained from the Zn-rich glass, in addition to Na(2)CaSi(2)O(6). The activation energy (Ea) for the crystallization of the Na(2)O.CaO.2SiO(2) glass is 193 +/- 10 and 203 +/- 5 kJ/mol from the isothermal in situ XRPD and nonisothermal DSC experiments, respectively. The Avrami exponent n determined from the isothermal method is 1 at low temperature (530 degrees C), and its value increases linearly with temperature increase up to 2 at 607 degrees C. For the crystallization of Na(2)CaSi(2)O(6) from the Zn-containing glass, higher values of both the crystallization temperature (667 and 661 degrees C) and Ea (223 +/- 10 and 211 +/- 5 kJ/mol) have been found from the isothermal and nonisothermal methods, respectively. The Na(2)ZnSiO(4) crystalline phase crystallizes at lower temperature with respect to Na(2)CaSi(2)O(6), and the Ea value is 266 +/- 20 and 245 +/- 15 kJ/mol from the isothermal and nonisothermal methods, respectively. The results of this work show that the addition of Zn favors the crystallization from the glass at lower temperature with respect to the Zn-free glass. In fact, it causes an increase of Ea for the Na diffusion process, determined using MD simulations, and consequently an overall increase of Ea for the crystallization process of Na(2)CaSi(2)O(6). Our results show good agreement between the Ea and n values obtained with the two different methods and confirm the reliability of the nonisothermal method applied to kinetic crystallization of glassy systems. This study allows the determination of the temperature

NaF-assisted combustion synthesis of MoSi2 nanoparticles and their densification behavior

NASA Astrophysics Data System (ADS)

Nersisyan, Hayk H.; Lee, Tae Hyuk; Ri, Vladislav; Lee, Jong Hyeon; Suh, Hoyoung; Kim, Jin-Gyu; Son, Hyeon Taek; Kim, Yong-Ho

2017-03-01

The exothermic reduction of oxides mixture (MoO3+2SiO2) by magnesium in NaF melt enables the synthesis of nanocrystalline MoSi2 powders in near-quantitative yields. The combustion wave with temperature of about 1000-1200 °C was recorded in highly diluted by NaF starting mixtures. The by-products of combustion reaction (NaF and MgO) were subsequently removed by leaching with acid and washing with water. The as-prepared MoSi2 nanopowder composed of spherical and dendritic shape particles was consolidated using the spark plasma sintering method at 1200-1500 °C and 50 MPa for 10 min. The result was dense compacts (98.6% theoretical density) possessing submicron grains and exhibiting hardness of 8.74-12.92 GPa.

Experimental and thermodynamic study of heterogeneous and homogeneous equilibria in the system NaAlSiO4-SiO2

NASA Astrophysics Data System (ADS)

Waterwiese, Tanja; Chatterjee, Niranjan D.; Dierdorf, Ivana; Göttlicher, Jörg; Kroll, Herbert

1995-08-01

Internally consistent thermodynamic datasets available at present call for a further improvement of the data for nepheline (Holland and Powell 1988; Berman 1991). Because nepheline is a common rock-forming mineral, an attempt has been made to improve on the present state of knowledge of its thermodynamic properties. To achieve that goal, two heterogeneous reactions involving nepheline, albite, jadeite and a-quartz in the system NaAlSiO4-SiO2 have been reversed by long duration runs in the range 460 ≤ T(°C) ≤ 960 and 10 ≤ P(kbar) ≤ 22. Given sufficiently long run times, the albite run products approach internal equilibrium with respect to their Al,Si order-disorder states. Using appropriate thermochemical, thermophysical, and volumetric data, Landau expansion for albite, and the relevant reaction reversals, a refined thermodynamic dataset (ΔfH{i/0} and S{i/0}) has been derived for nepheline, jadeite, a-quartz, albite, and monalbite. Our refined data agree very well with their calorimetric counterparts, but have smaller uncertainties. The refined dataset for ΔfH{i/0} and S{i/0}, including their uncertainties and correlation, help generate the NaAlSiO4-SiO2 phase diagram including 2a confidence interval for each P-T curve (Fig. 5).

NaI(Tl) scintillator read out with SiPM array for gamma spectrometer

NASA Astrophysics Data System (ADS)

Huang, Tuchen; Fu, Qibin; Lin, Shaopeng; Wang, Biao

2017-04-01

The NaI(Tl) scintillator is widely used in gamma spectrometer with photomultiplier tube (PMT) readout. Recently developed silicon photomultiplier (SiPM) offers gain and efficiency similar to those of PMT, but with merits such as low bias voltage, compact volume, low cost, high ruggedness and magnetic resonance compatibility. In this study, 2-in. and 1-in. NaI(Tl) scintillators were readout with SiPM arrays, which were made by tiling multiple SiPMs each with an active area of 6×6 mm2 on a printed circuit board. The energy resolutions for 661.6 keV gamma rays, obtained with Φ2×2 in. scintillator coupled to 6×6 ch SiPM array and Φ1×1 in. scintillator coupled to 4×4 ch SiPM array were 7.6% and 7.8%, respectively, and were very close to the results obtained with traditional bialkali PMT (7.3% and 7.6%, respectively). Scintillator coupled to photodetector with smaller area was also studied by adding a light guide or using scintillator with tapered head. The latter showed better performance than using light guide. The 1-in. NaI(Tl) scintillator with tapered head coupled to 2×2 ch SiPM array achieved 7.7% energy resolution at 661.6 keV, the same as that obtained with standard Φ1×1 in. scintillator coupled to 4×4 ch SiPM array. While the 2-in. scintillator with similar geometry showed degraded energy resolution, 10.2% at 661.6 keV, but could still be used when high efficiency is preferred over energy resolution.

Peierls instability as the insulating origin of the Na/Si(111)-(3 × 1) surface with a Na coverage of 2/3 monolayers

NASA Astrophysics Data System (ADS)

Kang, Myung Ho; Kwon, Se Gab; Jung, Sung Chul

2018-03-01

Density functional theory (DFT) calculations are used to investigate the insulating origin of the Na/Si(111)-(3 × 1) surface with a Na coverage of 2/3 monolayers. In the coverage definition, one monolayer refers to one Na atom per surface Si atom, so this surface contains an odd number of electrons (i.e., three Si dangling-bond electrons plus two Na electrons) per 3 × 1 unit cell. Interestingly, this odd-electron surface has been ascribed to a Mott-Hubbard insulator to account for the measured insulating band structure with a gap of about 0.8 eV. Here, we instead propose a Peierls instability as the origin of the experimental band gap. The concept of Peierls instability is fundamental in one-dimensional metal systems but has not been taken into account in previous studies of this surface. Our DFT calculations demonstrate that the linear chain structure of Si dangling bonds in this surface is energetically unstable with respect to a × 2 buckling modulation, and the buckling-induced band gap of 0.79 eV explains well the measured insulating nature.

Thin-film formation of Si clathrates on Si wafers

NASA Astrophysics Data System (ADS)

Ohashi, Fumitaka; Iwai, Yoshiki; Noguchi, Akihiro; Sugiyama, Tomoya; Hattori, Masashi; Ogura, Takuya; Himeno, Roto; Kume, Tetsuji; Ban, Takayuki; Nonomura, Shuichi

2014-04-01

In this study, we prepared Si clathrate films (Na8Si46 and NaxSi136) using a single-crystalline Si substrate. Highly oriented film growth of Zintl-phase sodium silicide, which is a precursor of Si clathrate, was achieved by exposing Na vapour to Si substrates under an Ar atmosphere. Subsequent heat treatment of the NaSi film at 400 °C (3 h) under vacuum (<10-2 Pa) resulted in a film of Si clathrates having a thickness of several micrometres. Furthermore, this technique enabled the selective growth of Na8Si46 and NaxSi136 using the appropriate crystalline orientation of Si substrates.

Synthesis, structure, and polymorphism of A{sub 3}LnSi{sub 2}O{sub 7} (A=Na, K; Ln=Sm, Ho, Yb)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Latshaw, Allison M.; Yeon, Jeongho; Smith, Mark D.

2016-03-15

Four new members of the A{sub 3}LnSi{sub 2}O{sub 7} family, K{sub 3}SmSi{sub 2}O{sub 7}, Na{sub 3}HoSi{sub 2}O{sub 7}, and two polymorphs of Na{sub 3}YbSi{sub 2}O{sub 7}, are reported. K{sub 3}SmSi{sub 2}O{sub 7} crystallizes in the hexagonal space group P6{sub 3}/mcm, Na{sub 3}HoSi{sub 2}O{sub 7} and Na{sub 3}YbSi{sub 2}O{sub 7} crystallize in the hexagonal space group P6{sub 3}/m, and Na{sub 3}YbSi{sub 2}O{sub 7} crystallizes in the trigonal space group P31c. The Na{sub 3}YbSi{sub 2}O{sub 7} composition that crystallizes in P31c is a new structure type. The magnetic properties for the Ho and Yb analogs are reported. - Graphical abstract: The differentmore » structure types and polymorphs of the A{sub 3}LnSi{sub 2}O{sub 7} family reported. - Highlights: • Four new members of the A{sub 3}LnSi{sub 2}O{sub 7} family are presented. • Na{sub 3}YbSi{sub 2}O{sub 7} is reported as two polymorphs, one is a new structure type. • Crystals synthesized out of molten fluoride fluxes.« less

UV-visible light photocatalytic properties of NaYF4:(Gd, Si)/TiO2 composites

NASA Astrophysics Data System (ADS)

Mavengere, Shielah; Kim, Jung-Sik

2018-06-01

In this study, a new novel composite photocatalyst of NaYF4:(Gd, Si)/TiO2 phosphor has been synthesized by two step method of solution combustion and sol-gel. The photocatalyst powders were characterized by X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM), UV-vis spectroscopy and photoluminescence (PL) spectroscopy. Raman spectroscopy confirmed the anatase TiO2 phase which remarkably increased with existence of yttrium silicate compounds between 800 cm-1 and 900 cm-1. Double-addition of Gd3+-Si4+ ions in NaYF4 host introduced sub-energy band levels with intense absorption in the ultraviolet (UV) light region. Photocatalytic activity was examined by exposing methylene blue (MB) solutions mixed with photocatalyst powders to 254 nm UV-C fluorescent lamp and 200 W visible lights. The UV and visible photocatalytic reactivity of the NaYF4:(Gd, 1% Si)/TiO2 phosphor composites showed enhanced MB degradation efficiency. The coating of NaYF4:(Gd, 1% Si) phosphor with TiO2 nanoparticles creates energy band bending at the phosphor/TiO2 interfaces. Thus, these composites exhibited enhanced absorption of UV/visible light and the separation of electron and hole pairs for efficient photocatalysis.

Effect of Na2SiO3/NaOH on mechanical properties and microstructure of geopolymer mortar using fly ash and rice husk ash as precursor

NASA Astrophysics Data System (ADS)

Saloma, Hanafiah, Elysandi, Debby Orjina; Meykan, Della Garnesia

2017-11-01

Geopolymer concrete is an eco-friendly concrete that can reduce carbon emissions on the earth surface because it used industrial waste material such as fly ash, rice husk ash, bagasse ash, and palm oil fuel. Geopolymer is semi-crystalline amorphous materials which has irregular chemical bonds structure. The material is produced by geosynthesis of aluminosilicates and alkali-silicates which produce the Si-O-Al polymer structure. This research used the ratio of fly ash and rice husk ash as precursors e.g. 100:0, 75:25, 50:50, and 25:75. NaOH solutions of 14 M and Na2SiO3 solutions with the variation e.g. 2.5, 2.75, 3.00, and 3.25 were used as activators on mortar geopolymer mixture. The tests of fresh mortar were slump flow and setting time. The optimum compressive strength is 68.36 MPa for 28 days resulted from mixture using 100% fly ash and Na2SiO3 and NaOH with ratio 2.75. The largest value of slump flow test resulted from mixture using Na2SiO3 and NaOH with ratio 2.50 is 17.25 cm. Based on SEM test results, mortar geopolymer microstructure with mixture RHA 0% has less pores and denser CSH structure.

First investigations on the quaternary system Na2O-K2O-CaO-SiO2: synthesis and crystal structure of the mixed alkali calcium silicate K1.08Na0.92Ca6Si4O15

NASA Astrophysics Data System (ADS)

Kahlenberg, Volker; Mayerl, Michael Jean-Philippe; Schmidmair, Daniela; Krüger, Hannes; Tribus, Martina

2018-04-01

In the course of an exploratory study on the quaternary system Na2O-K2O-CaO-SiO2 single crystals of the first anhydrous sodium potassium calcium silicate have been obtained from slow cooling of a melt in the range between 1250 and 1050 °C. Electron probe micro analysis suggested the following idealized molar ratios of the oxides for the novel compound: K2O:Na2O:CaO:SiO2 = 1:1:12:8 (or KNaCa6Si4O15). Single-crystal diffraction measurements on a crystal with chemical composition K1.08Na0.92Ca6Si4O15 resulted in the following basic crystallographic data: monoclinic symmetry, space group P 21/ c, a = 8.9618(9) Å, b = 7.3594(6) Å, c = 11.2453(11) Å, β= 107.54(1)°, V = 707.2(1) Å3, Z = 2. Structure solution was performed using direct methods. The final least-squares refinement converged at a residual of R(|F|) = 0.0346 for 1288 independent reflections and 125 parameters. From a structural point of view, K1.08Na0.92Ca6Si4O15 belongs to the group of mixed-anion silicates containing [Si2O7]- and [SiO4]-units in the ratio 1:2. The mono- and divalent cations occupy a total of four crystallographically independent positions located in voids between the tetrahedra. Three of these sites are exclusively occupied by calcium. The fourth site is occupied by 54(1)% K and 46%(1) Na, respectively. Alternatively, the structure can be described as a heteropolyhedral framework based on corner-sharing silicate tetrahedra and [CaO6]-octahedra. The network can build up from kröhnkite-like [Ca(SiO4)2O2]-chains running along [001]. A detailed comparison with other A2B6Si4O15-compounds including topological and group-theoretical aspects is presented.

The Heat of Formation of Na2SiF6.

ERIC Educational Resources Information Center

DeVore, T. C.; Gallaher, T. N.

1986-01-01

Describes a physical chemistry experiment which uses spectroscopy to measure the heat of formation of Na2SiF6. Discusses the opportunities for students to see the use of a familiar instrument in an unfamiliar application, emphasizing that there are often many ways to attack problems in science. (TW)

The influence of Na + and Ca 2+ ions on the SiO 2-AlPO 4 materials structure — IR and Raman studies

NASA Astrophysics Data System (ADS)

Rokita, M.; Mozgawa, W.; Handke, M.

2001-09-01

The series of samples containing 0-20 mol% of NaCaPO4 and 20-0 mol% of AlPO4, respectively, with the constant amount of SiO2 (80 mol%) have been selected. The materials were prepared using both sol-gel as well as aerosil pseudo-aqua solution method. The AlPO4·SiO2 and NaCaPO4·SiO2 (80 mol% of SiO2) samples have been prepared. IR and Raman spectra of these samples are presented. The spectra of materials from NaCaPO4-AlPO4-SiO2 system are compared to those of NaCaPO4·SiO2 and AlPO4·SiO2 sample (samples without Al3+ or Na+ and Ca2+ cations, respectively). The studies have enabled us to identify the bands arising from the internal and lattice vibrations. The slight differences between the spectra of sol-gel and aerosil pseudo-aqua solution materials are pointed out and discussed. The influence of Na+ and Ca2+ ions on the AlPO4-SiO2 materials structure is analysed.

Precursor routes to quaternary intermetallics: Synthesis, crystal structure, and physical properties of clathrate-II Cs8Na16Al24Si112

NASA Astrophysics Data System (ADS)

Wei, Kaya; Dong, Yongkwan; Nolas, George S.

2016-05-01

A new quaternary clathrate-II composition, Cs8Na16Al24Si112, was synthesized by kinetically controlled thermal decomposition (KCTD) employing both NaSi and NaAlSi as the precursors and CsCl as a reactive flux. The crystal structure and composition of Cs8Na16Al24Si112 were investigated using both Rietveld refinement and elemental analysis, and the temperature dependent transport properties were investigated. Our results indicate that KCTD with multiple precursors is an effective method for the synthesis of multinary inorganic phases that are not easily accessible by traditional solid-state synthesis or crystal growth techniques.

Luminescent properties of Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} and its potential application in white light emitting diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Zhijun, E-mail: wangzhijunmail@yahoo.com.cn; Li, Panlai; Li, Ting

2013-06-01

Graphical abstract: Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} phosphor can be effectively excited by an ultraviolet and near-ultraviolet light, and produce a bright blue emission centered at 436 nm. The CIE chromaticity coordinations (x, y) of Na{sub 2}CaSiO{sub 4}:Eu{sup 2+}(NSCE)/Li{sub 2}SrSiO{sub 4}:Eu{sup 2+}(LSSE) vary with the molar ratio of the two constituents. When NSCE/LSSE is 1:3, the CIE chromaticity coordination is (0.332, 0.346), which is close to that of the natural sunlight (0.33, 0.33). The results indicate that Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} may be a promising blue phosphor for UV chip-based multi-phosphor converted white light emitting diodes. Highlights: ► Na{sub 2}CaSiO{sub 4}:Eu{supmore » 2+} shows the blue emission with a peak at 436 nm and broad excitation band in the UV/n-UV range. ► White light with CIE coordinates (0.332, 0.346) is generated by mixing the blue phosphor with the Li{sub 2}SrSiO{sub 4}:Eu{sup 2+} yellow phosphor. ► Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} would be a promising blue phosphor candidate for UV chip-based multi-phosphor converted white LEDs. - Abstract: A novel blue phosphor Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} is synthesized by a high temperature solid-state reaction, and its luminescent properties are systematically studied. Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} can be effectively excited by the 354 nm radiation, and create blue emission (436 nm). The emission intensity of Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} is influenced by the Eu{sup 2+} doping content, and the optimal doping content is 1.5%, and the concentration quenching mechanism of Eu{sup 2+} in Na{sub 2}CaSiO{sub 4} can be attributed to the multipolar interaction. The white light with CIE coordinates (0.332, 0.346) is generated by mixing the blue phosphor Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} with the yellow phosphor Li{sub 2}SrSiO{sub 4}:Eu{sup 2+}. The results indicate that Na{sub 2}CaSiO{sub 4}:Eu{sup 2+} may be a potential blue emitting phosphor for UV chip-based multi

Effects of Combining Na and Sr additions on Eutectic Modification in Al-Si alloy

NASA Astrophysics Data System (ADS)

Zhu, G. L.; Gu, N. J.; Zhou, B. J.

2017-09-01

Experiments were designed to investigate the effects of strontium and sodium modified on the eutectic silicon for Al-Si alloy. It was found that combining addition of Na and Sr did not appear to cause deleterious interactions of modification, at at the same time, Sr-Na was fairly constant with holding time and without obvious modification fading. Addition of Na-Sr modifier could take effect quickly and decrease incubation period.

Thermodynamics of open networks: Ordering and entropy in NaAlSiO4 glass, liquid, and polymorphs

USGS Publications Warehouse

Richet, P.; Robie, R.A.; Rogez, J.; Hemingway, B.S.; Courtial, P.; Tequi, C.

1990-01-01

The thermodynamic properties of carnegieite and NaAlSiO4 glass and liquid have been investigated through Cp determinations from 10 to 1800 K and solution-calorimetry measurements. The relative entropies S298-S0 of carnegieite and NaAlSiO4 glass are 118.7 and 124.8 J/mol K, respectively. The low-high carnegieite transition has been observed at 966 K with an enthalpy of transition of 8.1??0.3 kJ/mol, and the enthalpy of fusion of carnegieite at the congruent melting point of 1799 K is 21.7??3 kJ/mol. These results are consistent with the reported temperature of the nepheline-carnegieite transition and available thermodynamic data for nepheline. The entropy of quenched NaAlSiO4 glass at 0 K is 9.7??2 J/mol K and indicates considerable ordering among AlO4 and SiO4 tetrahedra. In the liquid state, progressive, temperature-induced Si, Al disordering could account for the high configurational heat capacity. Finally, the differences between the entropies and heat capacities of nepheline and carnegieite do not seem to conform to current polyhedral modeling of these properties ?? 1990 Springer-Verlag.

On the temperature dependence of Na migration in thin SiO 2 films during ToF-SIMS O 2+ depth profiling

NASA Astrophysics Data System (ADS)

Krivec, Stefan; Detzel, Thomas; Buchmayr, Michael; Hutter, Herbert

2010-10-01

The detection of Na in insulating samples by means of time of flight-secondary ion mass spectrometry (ToF-SIMS) depth profiling has always been a challenge. In particular the use of O 2+ as sputter species causes a severe artifact in the Na depth distribution due to Na migration under the influence of an internal electrical filed. In this paper we address the influence of the sample temperature on this artifact. It is shown that the transport of Na is a dynamic process in concordance with the proceeding sputter front. Low temperatures mitigated the migration process by reducing the Na mobility in the target. In the course of this work two sample types have been investigated: (i) A Na doped PMMA layer, deposited on a thin SiO 2 film. Here, the incorporation behavior of Na into SiO 2 during depth profiling is demonstrated. (ii) Na implanted into a thin SiO 2 film. By this sample type the migration behavior could be examined when defects, originating from the implantation process, are present in the SiO 2 target. In addition, we propose an approach for the evaluation of an implanted Na profile, which is unaffected by the migration process.

Inhibitory effects of α-Na8SiW11CoO40 on tyrosinase and its application in controlling browning of fresh-cut apples.

PubMed

Chen, Bing-Nian; Xing, Rui; Wang, Fang; Zheng, A-Ping; Wang, Li

2015-12-01

α-Na8SiW11CoO40 was synthesized and characterized. The inhibitory effects of α-Na8SiW11CoO40 on the activity of mushroom tyrosinase and the effects of α-Na8SiW11CoO40 on the browning of fresh-cut apples were studied. The Native-PAGE result showed that α-Na8SiW11CoO40 had a significant inhibitory effect on tyrosinase. Kinetic analyses showed that α-Na8SiW11CoO40 was an irreversible and competitive inhibitor. The inhibitor concentration leading to a 50% reduction in activity (IC50) was estimated to be 0.239 mM. Additionally, the results also showed that α-Na8SiW11CoO40 treatment could significantly decrease the browning process of apple slices and inhibit the polyphenol oxidase (PPO) activity. Moreover, application of α-Na8SiW11CoO40 resulted in higher peroxidase activity and promoted high amounts of phenolic compounds and ascorbic acid. This study may provide a promising method for the use of polyoxometalates to inhibit tyrosinase activity and control the browning of fresh-cut apples. Copyright © 2015 Elsevier Ltd. All rights reserved.

Crystal structure of the true Nasicon: Na/sub 3/Zr/sub 2/Si/sub 2/PO/sub 12/

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boilot, J.P.; Collin, G.; Colomban, P.

For the first time, the results of single crystal determination of the true Nasicon are given. The structure refinement yielded the following composition: Na/sub 3.09(8)/Zr/sub 2.01(1)/P/sub 0.91/Si/sub 2.09/O/sub 12/. Evidence of the total occupancy of the Zr octahedron is found, displaying that only the Si/P non-stoichiometry mechanism is present in the Nasicon crystal. For the two temperatures which have been investigated (R.T. and 623K), the structures are very close to that of the Nasicon analog: Na/sub 3/Sc/sub 2/P/sub 3/O/sub 12/. However the Si/P substitution prevents the sodium long range ordering even in the monoclinic low temperature phase and therefore themore » cross over to the rhombohedral symmetry only involves very small atomic displacements. For both structures, a new sodium position (mid-Na) is displayed in the conduction channel, intermediate between the usual Na(1) and Na(2) sites.« less

Synthesis and Characterization of Monodisperse Core-shell Lanthanide Upconversion Nanoparticles NaYF4: Yb,Tm/SiO2

NASA Astrophysics Data System (ADS)

Manurung, R. V.; Wiranto, G.; Hermida, I. D. P.

2018-05-01

Lanthanide up-converting luminescent nanoparticles (UCNPs) are exciting and promising materials for optical bioimaging, biosensor and theranostic due to their unique and advantageous optical and chemical properties. The UCNPs absorb low energy near-infrared (NIR) light and emit high-energy shorter wavelength photons (visible light). Their unique features allow them to overcome various problems associated with conventional imaging probes such as photostability, lack of toxicity, and to provide versatility for creating nanoplatforms with both imaging and therapeutic modalities. This paper reports synthesis and characterization of core-shell structured of NaYF4:Yb,Tm/SiO2 microspheres. The synthesis of lanthanide upconversion nanoparticles NaYF4:Yb,Tm was prepared by thermal decomposition process which involves dissolving organic precursors in high-boiling-point solvents oleic acid (OA) and octadecene (ODE). After that, the NaYF4:Yb,Tm phosphors was coated by silica via reverse microemulsion process to obtain core-shell structured NaYF4:Yb,Tm/SiO2. Scanning electron microscopy, transmission electron microscopy, specific area electron diffraction, and photoluminescence were applied to characterize these samples. The obtained core-shell structured NaYF4:Yb,Tm/SiO2 phosphors exhibit a perfect cubic morphology with narrow size distribution and smooth surface. Upon IR excitation at 980 nm, the NaYF4:Yb,Tm/SiO2 samples exhibit whitish blue upconversion (UC) luminescence, respectively. These phosphors show potential applications in the displaying on biological fields and biosensing.

Pressure induced coordination change of Al in silicate melts from Al K edge XANES of high pressure NaAlSi2O6-NaAlSi3O8 glasses

NASA Astrophysics Data System (ADS)

Li, Dien; Secco, R. A.; Bancroft, G. M.; Fleet, M. E.

Aluminum K-edge XANES spectra of high pressure and high temperature (4.4 GPa and 1575°C) glasses along the NaAlSi2O6 (Jd)-NaAlSi3O8 (Ab) join are reported using synchrotron radiation, and shown to provide direct experimental evidence for the pressure-induced coordination change of Al. Five- and six-fold coordinated Al (5Al and 6Al), characterized by Al K-edge positions at 1567.8 and 1568.7 eV, respectively, first appear in glass of composition Jd60Ab40 and increase in proportion progressively with increasing Jd content. The end-member jadeite glass contains about 6% of each of 5Al and 6Al. The present direct measurements confirm literature suggestions for the important role of Al in controlling viscosity and diffusion in mantle melts.

High-pressure systematic of NaMe3+Si2O6 pyroxenes: volume compression vs Me3+ cation radius

NASA Astrophysics Data System (ADS)

Periotto, Benedetta; Nestola, Fabrizio; Balic-Zunic, Tonci; Pasqual, Daria; Alvaro, Matteo; Ohashi, Haruo

2010-05-01

Recent investigations have been experimentally demonstrated that Na-clinopyroxenes (Na-cpx) can be stable throughout a wide range of temperatures and pressures in the upper mantle and several works have been carried out in order to better constrain their physical properties. In this work the equation of state of a synthetic NaInSi2O6 clinopyroxene characterized by a trivalent non 3d-transition metal at the Me3+ crystallographic site (space group C2/c) was determined up to about 8 GPa by in situ single-crystal X-ray diffraction. Since previous investigations on CaMe2+Si2O6 showed a different effect when 3d- and non 3d-transition elements located at Me site, the aim of this study is to provide a definitive model capable to predict the high-pressure behaviour of (Ca,Na)(Me2+, Me3+)Si2O6 clinopyroxenes. A single crystal of NaInSi2O6 with size 150*80*50 microns3 was selected for the high-pressure single-crystal X-ray diffraction study. The sample was loaded in an ETH-type diamond anvil cell assembled with a diamond culet of 600 microns in diameter and a gasket preindented to 90 microns with a spark eroded hole of 200 microns in diameter. The cpx was loaded together with a single-crystal of quartz used as an internal pressure standard and some ruby chips used for more approximate determination of the internal pressure. The measurements were performed using a four-circles STOE STADI IV diffractometer on which the software SINGLE08 has been recently installed allowing to perform the eight-position diffracted-beam centering and to fit the diffraction peak profiles. Such centering procedure allows to obtain precise and accurate unit-cell parameters in order to provide values of room pressure bulk modulus affected by a significantly small error. The NaInSi2O6 cpx was investigated at 12 different pressures up to 7.83 GPa. No evidences of phase transformation were found throughout the pressure range investigated. The sample compresses anisotropically with the b direction being

Reaction of the thermo-labile triazenide Na[tBu3SiNNNSiMe3] with CO2: formation of the imido carbonate (tBu3SiO)(Me3SiO)C[double bond, length as m-dash]N-SitBu3 and carbamine acid (tBu3SiO)CONH2.

PubMed

Lerner, H-W; Bolte, M; Wagner, M

2017-07-11

The thermo-labile triazenide Na[tBu 3 SiNNNSiMe 3 ] was prepared by the reaction of Me 3 SiN 3 with Na(thf) 2 [SitBu 3 ] in pentane at -78 °C. Treatment of Na[tBu 3 SiNNNSiMe 3 ] with an excess of carbon dioxide in pentane at -78 °C yielded the imido carbonate (tBu 3 SiO)(Me 3 SiO)C[double bond, length as m-dash]N-SitBu 3 and the carbamine acid (tBu 3 SiO)CONH 2 along with other products. From the reaction solution we could isolate the imido carbonate (tBu 3 SiO)(Me 3 SiO)C[double bond, length as m-dash]N-SitBu 3 and carbamine acid (tBu 3 SiO)CONH 2 . At first single crystals of the carbamine acid (tBu 3 SiO)CONH 2 (triclinic, space group P1[combining macron]) were grown from this solution at room temperature. A second crop of crystals were obtained by concentrating the solution. The second charge consisted of the imido carbonate (tBu 3 SiO)(Me 3 SiO)C[double bond, length as m-dash]N-SitBu 3 (monoclinic, space group P2 1 /n).

Characterization of solar-grade silicon produced by the SiF4-Na process

NASA Technical Reports Server (NTRS)

Sanjurjo, A.; Sancier, K. M.; Emerson, R. M.; Leach, S. C.; Minahan, J.

1986-01-01

A process was developed for producing low cost solar grade silicon by the reaction between SiF4 gas and sodium metal. The results of the characterization of the silicon are presented. These results include impurity levels, electronic properties of the silicon after crystal growth, and the performance of solar photovoltaic cells fabricated from wafers of the single crystals. The efficiency of the solar cells fabricated from semiconductor silicon and SiF4-Na silicon was the same.

Mechanism of Na accumulation at extended defects in Si from first-principles

NASA Astrophysics Data System (ADS)

Park, Ji-Sang; Chan, Maria K. Y.

2018-04-01

Sodium (Na) impurities in silicon solar cells are considered to play an important role in potential-induced degradation (PID), a significant cause of solar cell degradation and failure. Shorting due to Na accumulation at extended defects has been suggested as a culprit for PID. However, it is not clear how the extended defects are decorated by Na impurities. Using first-principles density functional theory calculations, we find that Na impurities segregate from the bulk into extended defects such as intrinsic stacking faults and Σ3 (111) grain boundaries. The energy barrier required for Na to escape from the extended defects is substantial and similar to the sum of the barrier energy in bulk Si (1.1-1.2 eV) and the segregation energy to the stacking fault (˜0.7 eV). Surprisingly, the migration barrier for Na diffusion within the extended defects is even higher than the energy barrier for escaping. The results suggest that the extended defects likely accumulate Na as the impurities segregate to the defects from the bulk, rather than because of migration through the extended defects.

Production of Na-22 and Other Radionuclides by Neutrons in Al, SiO2, Si, Ti, Fe and Ni Targets: Implications for Cosmic Ray Studies

NASA Technical Reports Server (NTRS)

Sisterson, J. M.; Jones, D. T. L.; Binns, P. J.; Langen, K.; Schroeder, I.; Buthelezi, Z.; Latti, E.; Brooks, F. D.; Buffler, A.; Allie, M. S.;

Sodium Ion Diffusion in Nasicon (Na3Zr2Si2PO12) Solid Electrolytes: Effects of Excess Sodium.

PubMed

Park, Heetaek; Jung, Keeyoung; Nezafati, Marjan; Kim, Chang-Soo; Kang, Byoungwoo

2016-10-04

The Na superionic conductor (aka Nasicon, Na 1+x Zr 2 Si x P 3-x O 12 , where 0 ≤ x ≤ 3) is one of the promising solid electrolyte materials used in advanced molten Na-based secondary batteries that typically operate at high temperature (over ∼270 °C). Nasicon provides a 3D diffusion network allowing the transport of the active Na-ion species (i.e., ionic conductor) while blocking the conduction of electrons (i.e., electronic insulator) between the anode and cathode compartments of cells. In this work, the standard Nasicon (Na 3 Zr 2 Si 2 PO 12 , bare sample) and 10 at% Na-excess Nasicon (Na 3.3 Zr 2 Si 2 PO 12 , Na-excess sample) solid electrolytes were synthesized using a solid-state sintering technique to elucidate the Na diffusion mechanism (i.e., grain diffusion or grain boundary diffusion) and the impacts of adding excess Na at relatively low and high temperatures. The structural, thermal, and ionic transport characterizations were conducted using various experimental tools including X-ray diffraction (XRD), differential scanning calorimetry (DSC), scanning electron microscopy (SEM), and electrochemical impedance spectroscopy (EIS). In addition, an ab initio atomistic modeling study was carried out to computationally examine the detailed microstructures of Nasicon materials, as well as to support the experimental observations. Through this combination work comprising experimental and computational investigations, we show that the predominant mechanisms of Na-ion transport in the Nasicon structure are the grain boundary and the grain diffusion at low and high temperatures, respectively. Also, it was found that adding 10 at% excess Na could give rise to a substantial increase in the total conductivity (e.g., ∼1.2 × 10 -1 S/cm at 300 °C) of Nasicon electrolytes resulting from the enlargement of the bottleneck areas in the Na diffusion channels of polycrystalline grains.

Ab initio calculation of 1H, 17O, 27Al and 29Si NMR parameters, vibrational frequencies and bonding energetics in hydrous silica and Na-aluminosilicate glasses

NASA Astrophysics Data System (ADS)

Kubicki, J. D.; Sykes, D. G.

2004-10-01

Ab initio, molecular orbital (MO) calculations were performed on model systems of SiO 2, NaAlSi 3O 8 (albite), H 2O-SiO 2 and H 2O-NaAlSi 3O 8 glasses. Model nuclear magnetic resonance (NMR) isotropic chemical shifts (δ iso) for 1H, 17O, 27Al and 29Si are consistent with experimental data for the SiO 2, NaAlSi 3O 8, H 2O-SiO 2 systems where structural interpretations of the NMR peak assignments are accepted. For H 2O-NaSi 3AlO 8 glass, controversy has surrounded the interpretation of NMR and infrared (IR) spectra. Calculated δ iso1H, δ iso17O, δ iso27Al and δ iso29Si are consistent with the interpretation of Kohn et al. (1992) that Si-(OH)-Al linkages are responsible for the observed peaks in hydrous Na-aluminosilicate glasses. In addition, a theoretical vibrational frequency associated with the Kohn et al. (1992) model agrees well with the observed shoulder near 900 cm -1 in the IR and Raman spectra of hydrous albite glasses. MO calculations suggest that breaking this Si-(OH)-Al linkage requires ˜+56 to +82 kJ/mol which is comparable to the activation energies for viscous flow in hydrous aluminosilicate melts.

Precursor routes to quaternary intermetallics: Synthesis, crystal structure, and physical properties of clathrate-II Cs{sub 8}Na{sub 16}Al{sub 24}Si{sub 112}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wei, Kaya; Dong, Yongkwan; Nolas, George S., E-mail: gnolas@usf.edu

A new quaternary clathrate–II composition, Cs{sub 8}Na{sub 16}Al{sub 24}Si{sub 112}, was synthesized by kinetically controlled thermal decomposition (KCTD) employing both NaSi and NaAlSi as the precursors and CsCl as a reactive flux. The crystal structure and composition of Cs{sub 8}Na{sub 16}Al{sub 24}Si{sub 112} were investigated using both Rietveld refinement and elemental analysis, and the temperature dependent transport properties were investigated. Our results indicate that KCTD with multiple precursors is an effective method for the synthesis of multinary inorganic phases that are not easily accessible by traditional solid-state synthesis or crystal growth techniques. - Graphical abstract: Quaternary Cs{sub 8}Na{sub 16}Al{sub 24}S{submore » 112} clathrate–II was synthesized for the first time by kinetically controlled thermal decomposition (KCTD) employing a NaSi+NaAlSi precursor mixture with CsCl as the reactive flux, and the structural and transport properties were investigated. Our approach demonstrates a new synthetic pathway for the synthesis of multinary inorganic compounds. This work reports the exploration of a new clathrate composition as this class of materials continues to be of interest for thermoelectrics and other energy-related applications.« less

Effect of KOH to Na2SiO3 Ratio on Microstructure and Hardness of Plasma Electrolytic Oxidation Coatings on AA 6061 Alloy

NASA Astrophysics Data System (ADS)

Sharma, Ashutosh; Jang, Yong-Joo; Jung, Jae Pil

2017-10-01

In this study, plasma electrolytic oxidation (PEO) process has been employed to fabricate alumina coatings on AA 6061 aluminum alloy from an electrolyte containing water glass (Na2SiO3) and alkali (KOH). The effect of deposition time and the alkali to water glass (KOH: Na2SiO3) composition ratio on the coating morphology and properties are studied. The different phases of the oxide layer and microstructure are investigated by x-ray diffraction, scanning electron microscopy, and atomic force microscopy. The results indicate that initially γ-Al2O3 forms in the coating, and as the processing time is increased from 5 to 60 minutes, α-Al2O3 phase becomes prominent. Further, higher the content of Na2SiO3, higher is the hardness and coating growth rate due to the formation of stable α-Al2O3 and Al-Si-O phase. It has been reported that the optimum properties of the PEO coatings can be obtained at a ratio of KOH: Na2SiO3 ≈ 15:10 followed by 10:10.

Complete Al-SI Order in Scapolite Me[subscript 37.5], Ideally Ca[subscript 3]Na[subscript 5][Al[subscript 8]Si[subscript 16]O[subscript 48

DOE Office of Scientific and Technical Information (OSTI.GOV)

Antao, Sytle M.; Hassan, Ishmael; West Indies)

2011-09-06

The structure of an intermediate scapolite (Me{sub 36.6}) from Lake Clear, Ontario, was obtained using synchrotron high-resolution powder X-ray diffraction (HRPXRD) data and Rietveld structure refinement in space group P4{sub 2}/n. The chemical formula obtained by electron microprobe is Na{sub 2.19}Ca{sub 1.35}K{sub 0.16}[Al{sub 3.95}Si{sub 8.05}O{sub 24}]Cl{sub 0.55}(CO{sub 3}){sub 0.41}(SO{sub 4}){sub 0.04}, equivalent to Me{sub 36.6}. The unit-cell parameters are a 12.07899(1), c 7.583467(9) {angstrom}, and V 1106.443(2) {angstrom}{sup 3}. The average distances are = 1.617(1) {angstrom}, = 1.744(1) {angstrom}, and = 1.601(1) {angstrom}. Therefore, the T1 and T3 sites contain only Si atoms, and the T2 sitemore » contains only Al atoms, so the Al and Si atoms are completely ordered. Complete Al-Si order was predicted for Me{sub 37.5}, ideally Ca{sub 3}Na{sub 5}[Al{sub 8}Si{sub 16}O{sub 48}]Cl(CO{sub 3}), and is confirmed in this study. Antiphase domain boundaries (APBs) in scapolite cannot arise from Al-Si order because the average distances indicate complete Al-Si order in Me{sub 36.6}. If APBs were to arise from Al-Si order, switching of the T sites across the APBs will occur, and complete Al-Si order cannot be observed. Therefore, Al-Si order, which is present to various extents across the scapolite series, can be ruled out as the cause for the APBs. Order involving Cl and CO{sub 3} is the cause for the APBs in scapolite.« less

Phase Equilibria Study in the TeO2-Na2O-SiO2 System in Air Between 723 K (500 °C) and 1473 K (1200 °C)

NASA Astrophysics Data System (ADS)

Santoso, Imam; Taskinen, Pekka

2016-08-01

Knowledge of phase equilibria in the TeO2-Na2O-SiO2 system at elevated temperatures is important for ceramic and glass industries and for improving the operation of the smelting process of tellurium-containing materials. A review of previous investigations has indicated, however, that there are omissions in the available datasets on the liquidus temperatures of the molten TeO2-Na2O-SiO2 mixtures. The employed experimental method included equilibration of mixtures made from high purity oxides, rapid quenching of the equilibrated samples in water and followed by compositional analysis of the phases using an electron probe X-ray microanalyzer. The liquidus and phase equilibria in the TeO2-SiO2, TeO2-Na2O, and SiO2-TeO2-Na2O systems have been studied for a wide range of compositions between 723 K (500 °C) and 1473 K (1200 °C) at TeO2, SiO2, and Na2SiO3 saturations. New data have been generated in the SiO2-TeO2-Na2O system at SiO2 saturation. The liquidus compositions in the TeO2-Na2O system at TeO2 saturation have been compared with the previous data and an assessed phase diagram.

Coupled CaAl-NaSi diffusion in plagioclase feldspar: Experiments and applications to cooling rate speedometry

NASA Astrophysics Data System (ADS)

Grove, Timothy L.; Baker, Michael B.; Kinzler, Rosamond J.

1984-10-01

The rate of CaAl-NaSi interdiffusion in plagioclase feldspar was determined under 1 atm anhydrous conditions over the temperature range 1400° to 1000°C in calcic plagioclase (An 80-81) by homogenizing coherent exsolution lamellae. The dependence of the average interdiffusion coefficient on temperature is given by the expression: D˜ = 10.99 ( cm 2/sec) exp (-123.4( kcal/mol)/RT), (T in °K). This value is for diffusion perpendicular to the (03 1¯) interface of the lamellae. CaAl-NaSi interdiffusion is 4 to 5 orders of magnitude slower than oxygen diffusion in the temperature range 1400° to 1200°C and possibly 10 orders of magnitude slower at subsolidus temperatures. The large differences in diffusion rates explain the apparent contradiction posed by the plagioclases of large layered intrusions ( e.g., the Skaergaard), which retain delicate Ca, Na compositional zoning profiles on the micron scale, but have undergone complete oxygen isotopic exchange with heated meteoric groundwater from the surrounding wall rocks. CaAl-NaSi diffusion is slow, the closure temperature is high (within the solidus-liquidus interval), and Ca-Na zoning is preserved. Oxygen diffusion is faster, the closure temperature is lower (350°-400°C) and the feldspars exchange oxygen with the low-temperature hydrothermal fluids. The complex micron-scale oscillatory zones in plagioclase can also be used as cooling rate speedometers for volcanic and plutonic plagioclase. Cooling histories typical of large mafic intrusions ( e.g. the Stillwater) are slow, begin at high initial temperatures (1200°C) and result in homogenization of oscillatory zones on the scale of 10 microns. The oscillatory zones found in the plagioclase of granodioritic plutons are preserved because cooling is initiated at a lower temperature (1000°C) limiting diffusion to submicron length scales despite the slow cooling rate of the intrusion.

Silicon content design of CrSiN films for good anti-corrosion and anti-wear performances in NaOH solution

NASA Astrophysics Data System (ADS)

Wang, Haixin; Ye, Yuwei; Wang, Chunting; Zhang, Guangan; Liu, Wei

2018-06-01

The CrSiN films with different silicon contents were fabricated by medium frequency magnetron sputtering. The 304L stainless steel and Si (1 0 0) wafer were used for substrate specimens. Film plasticity, corrosion and tribological behaviors in 0.1 M NaOH solution were systematically investigated. Results show that the plasticity of CrN film could be improved by the addition of silicon. During the corrosion test, with the increase of silicon content, the corrosion current density exhibited a descending trend and impedance presented a rising trend. The COF and wear rate of as-prepared CrSiN film initially decreased and then increased as the silicon content increased. The CrSiN film with 12.7 at.% Si exhibited the lowest COF of 0.04 and a wear rate of 6.746  ×  10‑8 mm3 Nm‑1 in 0.1 M NaOH solution.

The first Fe-based Na+-ion cathode with two distinct types of polyanions: Fe 3P 5SiO 19

DOE PAGES

Kan, W. H.; Huq, A.; Manthiram, A.

2015-05-15

We report the synthesis, structure, and electrochemistry of the first Na +-ion cathode with two distinct types of polyanions: Fe 3P 5SiO 19. The Fe-based cathode has a reversible capacity of ca. 70 mAh g -1; ca. 1.7 Na + ions per formula can be inserted/extracted at an average voltage of 2.5 V versus Na +/Na.

Blue-green tunable color of Ce3+/Tb3+ coactivated NaBa3La3Si6O20 phosphor via energy transfer

PubMed Central

Jia, Zhen; Xia, Mingjun

2016-01-01

A series of color tunable phosphors NaBa3La3Si6O20:Ce3+, Tb3+ were synthesized via the high-temperature solid-state method. NaBa3La3Si6O20 crystallizes in noncentrosymmetric space group Ama2 with the cell parameters of a = 14.9226(4) Å, b = 24.5215(5) Å and c = 5.6241(2) Å by the Rietveld refinement method. The Ce3+ ions doped NaBa3La3Si6O20 phosphors have a strong absorption band from 260 to 360 nm and show near ultraviolet emission light centered at 378 nm. The Ce3+ and Tb3+ ions coactivated phosphors exhibit color tunable emission light from deep blue to green by adjusting the concentration of the Tb3+ ions. An energy transfer of Ce3+ → Tb3+ investigated by the photoluminescence properties and lifetime decay, is demonstrated to be dipole–quadrupole interaction. These results indicate the NaBa3La3Si6O20:Ce3+, Tb3+ phosphors can be considered as potential candidates for blue-green components for white light emitting diodes. PMID:27628111

Heat capacity measurements for cryolite (Na3AlF6) and reactions in the system NaFeAlSiOF

USGS Publications Warehouse

Anovitz, Lawrence M.; Hemingway, B.S.; Westrum, E.F.; Metz, G.W.; Essene, E.J.

1987-01-01

The heat capacity of cryolite (Na3AlF6) has been measured from 7 to 1000 K by low-temperature adiabatic and high-temperature differential scanning calorimetry. Low-temperature data were obtained on material from the same hand specimen in the calorimetric laboratories of the University of Michigan and U.S. Geological Survey. The results obtained are in good agreement, and yield average values for the entropy of cryolite of: S0298 = 238.5 J/mol KS0T-S0298 = 145.114 ln T+ 193.009*10-3T- 10.366* 105 T2- 872.89 J/mol K (273-836.5 K)??STrans = 9.9J/mol KS0T-S0298 =198.414 ln T+73.203* 10-3T-63.814* 105 T2-1113.11 J/mol K (836.5-1153 K) with the transition temperature between ??- and ??-cryolite taken at 836.5 K. These data have been combined with data in the literature to calculate phase equilibria for the system NaFeAlSiOF. The resultant phase diagrams allow constraints to be placed on the fO2, fF2, aSiO2 and T conditions of formation for assemblages in alkalic rocks. A sample application suggests that log fO2 is approximately -19.2, log fF2 is -31.9 to -33.2, and aSiO2 is -1.06 at assumed P T conditions of 1000 K, 1 bar for the villiaumite-bearing Ilimaussaq intrusion in southwestern Greenland. ?? 1987.

Experimental Determination of the Effect of the Ratio of B/Al on Glass Dissolution along the Nepheline (NaAlSiO 4) – Malinkoite (NaBSiO 4) Join

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pierce, Eric M; Reed, Lunde R; Shaw, Wendy J

2010-03-27

The dissolution kinetics of five glasses along the NaAlSiO 4-NaBSiO 4 join were used to evaluate how the structural variations associated with boron-aluminum substitution affect the rate of dissolution. The composition of each glass varied inversely in mol% of Al 2O 3 (5 to 25 mol%) and B 2O 3 (20 to 0 mol%) with Na 2O (25 mol%) and SiO 2 (50 mol%) making up the remaining amount, in every case Na/(Al+B) = 1.0. Single-pass flow-through experiments (SPFT) were conducted under dilute conditions as a function of solution pH (from 7.0 to 12.0) and temperature (from 23° to 90°C).more » Analysis by 27Al and 29Si MAS-NMR suggests Al (~98% [4]Al) and Si atoms (~100% [4]Si) occupy a tetrahedral coordination whereas, B atoms occupy both tetrahedral ([4]B) and trigonal ( [3]B) coordination. The distribution of [3]B fractionated between [3]B(ring) and [3]B(non-ring) moieties, with the [3]B(ring)/ [3]B(non-ring) ratio increases with the B/Al ratio. The MAS-NMR results also indicated an increase in the fraction of [4]B with an increase in the B/Al ratio. But despite the changes in the B/Al ratio and B coordination, the 29Si spectra maintain a chemical shift between -88 to -84 ppm for each glass. Unlike the 29Si spectra, the 27Al resonances shift to more positive values with an increase in the B/Al ratio which suggests mixing between the [4]Al and [3]B sites, assuming avoidance between tetrahedral trivalent cations ( [4]Al-O- [4]B avoidance). Raman spectroscopy was use to augment the results collected from MAS-NMR and demonstrated that NeB4 (glass sample with the highest B content) was glass-glass phase separated (e.g., heterogeneous glass). Results from SPFT experiments suggest a forward rate of reaction and pH power law coefficients,η, that are independent of B/Al under these neutral to alkaline test conditions for all homogeneous glasses. The temperature dependence shows an order of magnitude increase in the dissolution rate with a 67°C increase in temperature and

Phthalocyanine-Conjugated Upconversion NaYF4 :Yb3+ /Er3+ @SiO2 Nanospheres for NIR-Triggered Photodynamic Therapy in a Tumor Mouse Model.

PubMed

Kostiv, Uliana; Patsula, Vitalii; Noculak, Agnieszka; Podhorodecki, Artur; Větvička, David; Poučková, Pavla; Sedláková, Zdenka; Horák, Daniel

2017-12-19

Photodynamic therapy (PDT) has garnered immense attention as a minimally invasive clinical treatment modality for malignant cancers. However, its low penetration depth and photodamage of living tissues by UV and visible light, which activate a photosensitizer, limit the application of PDT. In this study, monodisperse NaYF 4 :Yb 3+ /Er 3+ nanospheres 20 nm in diameter, that serve as near-infrared (NIR)-to-visible light converters and activators of a photosensitizer, were synthesized by high-temperature co-precipitation of lanthanide chlorides in a high-boiling organic solvent (octadec-1-ene). The nanoparticles were coated with a thin shell (≈3 nm) of homogenous silica via the hydrolysis and condensation of tetramethyl orthosilicate. The NaYF 4 :Yb 3+ /Er 3+ @SiO 2 particles were further functionalized by methacrylate-terminated groups via 3-(trimethoxysilyl)propyl methacrylate. To introduce a large number of reactive amino groups on the particle surface, methacrylate-terminated NaYF 4 :Yb 3+ /Er 3+ @SiO 2 nanospheres were modified with a branched polyethyleneimine (PEI) via Michael addition. Aluminum carboxyphthalocyanine (Al Pc-COOH) was then conjugated to NaYF 4 :Yb 3+ /Er 3+ @SiO 2 -PEI nanospheres via carbodiimide chemistry. The resulting NaYF 4 :Yb 3+ /Er 3+ @SiO 2 -PEI-Pc particles were finally modified with succinimidyl ester of poly(ethylene glycol) (PEG) in order to alleviate their future uptake by the reticuloendothelial system. Upon 980 nm irradiation, the intensive red emission of NaYF 4 :Yb 3+ /Er 3+ @SiO 2 -PEI-Pc-PEG nanoparticles completely vanished, indicating efficient energy transfer from the nanoparticles to Al Pc-COOH, which generates singlet oxygen ( 1 O 2 ). Last but not least, NaYF 4 :Yb 3+ /Er 3+ @SiO 2 -PEI-Pc-PEG nanospheres were intratumorally administered into mammary carcinoma MDA-MB-231 growing subcutaneously in athymic nude mice. Extensive necrosis developed at the tumor site of all mice 24-48 h after irradiation by laser at

Desorption induced by electronic transitions of Na from SiO2: relevance to tenuous planetary atmospheres.

NASA Astrophysics Data System (ADS)

Yakshinskiy, B. V.; Madey, T. E.

2000-04-01

The authors have studied the desorption induced by electronic transitions (DIET) of Na adsorbed on model mineral surfaces, i.e. amorphous, stoichiometric SiO2 films. They find that electron stimulated desorption (ESD) of atomic Na occurs for electron energy thresholds as low as ≡4 eV, that desorption cross-sections are high (≡1×10-19cm2 at 11 eV), and that desorbing atoms are 'hot', with suprathermal velocities. The estimated Na desorption rate from the lunar surface via ESD by solar wind electrons is a small fraction of the rate needed to sustain the Na atmosphere. However, the solar photon flux at energies ≥5 eV exceeds the solar wind electron flux by orders of magnitude; there are sufficient ultraviolet photons incident on the lunar surface to contribute substantially to the lunar Na atmosphere via PSD of Na from the surface.

Microstructural dependence on relevant physical-mechanical properties on SiO2-Na2O-CaO-P2O5 biological glasses.

PubMed

Rajendran, V; Begum, A Nishara; Azooz, M A; el Batal, F H

2002-11-01

Bioactive glasses of the system SiO2-Na2O-CaO-P2O5 have been prepared by the normal melting and annealing technique. The elastic moduli, attenuation, Vickers hardness, fracture toughness and fracture surface energy have been obtained using the known method at room temperature. The temperature dependence of elastic moduli and attenuation measurements have been extended over a wide range of temperature from 150 to 500 K. The SiO2 content dependence of velocities, attenuation, elastic moduli, and other parameters show an interesting observation at 45 wt% of SiO2 by exhibiting an anomalous behaviour. A linear relation is developed for Tg, which explores the influence of Na2O on SiO2-Na2O-CaO-P2O5 bioactive glasses. The measured hardness, fracture toughness and fracture surface energy show a linear relation with Young's modulus. It is also interesting to note that the observed results are functions of polymerisation and the number of non-bridging oxygens (NBO) prevailing in the network with change in SiO2 content. The temperature dependence of velocities, attenuation and elastic moduli show the existence of softening in the glass network structure as temperature increases.

High-pressure phase relations in the composition of albite NaAlSi3O8 constrained by an ab initio and quasi-harmonic Debye model, and their implications

NASA Astrophysics Data System (ADS)

Deng, L.; Liu, X.; Liu, H.; Dong, J.

2010-12-01

The high pressure physical-chemical behaviors of feldspar in subducted slab are very important to the geodynamic process in the deep interior of the Earth. Albite (NaAlSi3O8;Ab) is one of the few end members in the feldspar family, and its high-P behavior is obviously a prerequisite to the full understanding of the physical-chemical properties of feldspar at high pressures. So far it has been well accepted that Ab breaks down to the phase assemblage of Jadeite+Stishovite(NaAlSi2O6; Jd, SiO2; St,JS hereafter) at ~9-10 GPa. The JS phase assemblage might be stable up to ~23 GPa, and eventually directly change into the phase assemblage of calcium-ferrite type NaAlSiO4 (Cf) +2St (CS hereafter). However, some independent researches suggest there is an intermediate phase Na-hollandite (Na-Hall; a phase with the composition of NaAlSi3O8 and the structure of hollandite) between JS phase assemblage transition into CS phase assemblage (Liu 1978; Tutti 2007; Sekine and Ahrens, 1992; Beck et al., 2004). Whether Na-Hall is a thermodynamic stable phase under high P-T conditions remains unknown. In this work, phase relations in the composition of albite NaAlSi3O8 at pressures up to 40 GPa were constrained by a theoretical method that combines the ab initio calculation and quasi-harmonic Debyemodel. First, the P-T dependence of the thermodynamic potentials of the individual phase, St, Cf, Jd and the hypothetical Na-Holl were derived. Our results are generally in consistent agreement with available experimental data and previous theoretical predictions. Second, the Gibbs free energy of the hypothetical Na-Holl phase was compared with that of the phase assemblages JS and CS. Our results show that the Na-Holl phase is not a thermodynamically stable phase over the studied P-T conditions of 0-40 GPa and 100-600 K, which rules it out as a possible intermediate phase along the transition path from the JS phase assemblage to CS phase assemblage. Our calculations have predicted that the JS

Na2MnSiO4 as an attractive high capacity cathode material for sodium-ion battery

NASA Astrophysics Data System (ADS)

Law, Markas; Ramar, Vishwanathan; Balaya, Palani

2017-08-01

Here we report a polyanion-based cathode material for sodium-ion batteries, Na2MnSiO4, registering impressive sodium storage performances with discharge capacity of 210 mAh g-1 at an average voltage of 3 V at 0.1 C, along with excellent long-term cycling stability (500 cycles at 1 C). Insertion/extraction of ∼1.5 mol of sodium ion per formula unit of the silicate-based compound is reported and the utilisation of Mn2+ ⇋ Mn4+ redox couple is also demonstrated by ex-situ XPS. Besides, this study involves a systematic investigation of influence of the electrolyte additive (with different content) on the sodium storage performance of Na2MnSiO4. The electrolyte additive forms an optimum protective passivation film on the electrode surface, successfully reducing manganese dissolution.

Fabrication of SiC-Particles-Shielded Al Spheres upon Recycling Al/SiC Composites

NASA Astrophysics Data System (ADS)

Madarasz, D.; Budai, I.; Kaptay, G.

2011-06-01

Wettability of liquid A359 alloy on SiC particles under molten salt NaCl-KCl-NaF is found at 180 deg, meaning that SiC particles prefer the molten salt phase against the Al phase or the Al/molten salt interface. Thus, this molten salt can be used for recycling, i.e., to separate the phases in the SiC reinforced Al matrix composites. If the separation process is interrupted, Al droplets (submillimeter solidified powder) can be produced, stabilized/surrounded by a monolayer of shielding SiC particles.

Na@SiO2-Mediated Addition of Organohalides to Carbonyl Compounds for the Formation of Alcohols and Epoxides

NASA Astrophysics Data System (ADS)

Kapoor, Mohit; Hwu, Jih Ru

2016-11-01

Alcohols and epoxides were generated by the addition of organohalides to carbonyl compounds in the presence of sodium metal impregnated with silica gel (Na@SiO2) in THF at 25 °C through a radical pathway. Under the same conditions, Schiff bases were also successfully converted to the corresponding amines. Furthermore, the reaction of aldehydes with α-haloesters or 4-(chloromethyl)-coumarin with the aid of Na@SiO2 generated trans epoxides. An unprecedented mechanism is proposed for their formation. The advantages associated with these new reactions include: (1) products are obtained in good-to-excellent yields, (2) reactions are completed at room temperatures in a short period of time (<2.0 h), (3) it is unnecessary to perform the reactions under anhydrous conditions, and (4) the entire process requires only simple manipulations.

Fluoride gastrointestinal absorption from Na2FPO3/CaCO3- and NaF/SiO2-based toothpastes.

PubMed

Falcão, A; Tenuta, L M A; Cury, J A

2013-01-01

Depending on toothpaste formulation, part of the fluoride is insoluble and would not be totally absorbable in the gastrointestinal tract, thus changing dental fluorosis risk estimation. This hypothesis was tested with formulations with either all fluoride in a soluble form (NaF/SiO2-based toothpaste, 1,100 µg F/g as labeled, 1,129.7 ± 49.4 µg F/g soluble fluoride as analyzed) or with around 20% of insoluble fluoride (Na2FPO3/CaCO3-based toothpaste, 1,450 µg F/g as labeled, 1,122.4 ± 76.4 µg F/g soluble fluoride as analyzed). Toothpastes were evaluated either fresh or after accelerated aging, which increased insoluble fluoride to 40% in the Na2FPO3/CaCO3-based toothpaste. In a blind, crossover clinical trial conducted in five legs, 20 adult volunteers ingested 49.5 µg of total fluoride/kg body weight from each formulation or purified water (control). Whole saliva and urine were collected as bioavailability indicators, and pharmacokinetics parameters calculated showed significantly (p < 0.05) lower fluoride bioavailability for Na2FPO3/CaCO3 toothpaste, which was reduced further after aging. A significant correlation between the amount of soluble fluoride ingested, but not total fluoride, and fluoride bioavailability was found (r = 0.57, p < 0.0001). The findings suggest that the estimated fluorosis risk as a result of ingestion of Na2FPO3/CaCO3-based toothpastes should be calculated based on the toothpaste's soluble rather than total fluoride concentration. Copyright © 2012 S. Karger AG, Basel.

Synthesis and characterization of a NaSICON series with general formula Na 2.8Zr 2-ySi 1.8-4yP 1.2+4yO 12 (0⩽ y⩽0.45)

NASA Astrophysics Data System (ADS)

Essoumhi, A.; Favotto, C.; Mansori, M.; Satre, P.

2004-12-01

In this work, we present the synthesis and the characterization of ionic conducting ceramics of NaSICON-type (Natrium super ionic conductor). The properties of this ceramic make it suitable for use in electrochemical devices. These solid electrolytes can be used as sensors for application in the manufacturing of potentiometric gas sensors, for the detection of pollutant emissions and for environment control. The family of NaSICON that we studied has as a general formula Na 2.8Zr 2-ySi 1.8-4yP 1.2+4yO 12 with 0⩽ y⩽0.45. The various compositions were synthesized by produced using the sol-gel method. The electric properties of these compositions were carried out by impedance spectroscopy. The results highlight the good conductivity of the Na 2.8Zr 1.775Si 0.9P 2.1O 12 composition.

Bulk and grain-boundary ionic conductivity in sodium zirconophosphosilicate Na3Zr2(SiO4)2PO4 (NASICON)

NASA Astrophysics Data System (ADS)

Lunghammer, S.; Ma, Q.; Rettenwander, D.; Hanzu, I.; Tietz, F.; Wilkening, H. M. R.

2018-06-01

Sodium zirconophosphosilicates (Na1+x Zr2(P1-x SixO4)3 (0 < x < 3)) currently experience a kind of renaissance as promising ceramic electrolytes for safe all-solid-state Na batteries. Such energy storage systems are an emerging option for next-generation technologies with attractive cost due to the use of abundant elements as sodium. To identify the right candidates their ion transport properties need to be precisely studied. In many cases less is known about the contributions of blocking grain boundaries to the overall charge carrier transport. Here, we took advantage of broadband impedance and conductivity spectroscopy carried out at sufficiently low temperature to make visible these two contributions for polycrystalline Na3Zr2(SiO4)2PO4. It turned out that ion transport across the grain boundaries of a sintered pellet do not greatly hinder long-range ion dynamics. While bulk ion dynamics in Na3Zr2(SiO4)2PO4 is characterized by 1.0 mS cm-1, the grain boundary ionic conductivity is only slightly lower viz. 0.7 mS cm-1. The latter value is of large practical interest as it allows the realization of all-solid-state Na batteries without strong interfering resistances from grain boundaries.

Efficient Fabrication of Nanoporous Si and Si/Ge Enabled by a Heat Scavenger in Magnesiothermic Reactions

PubMed Central

Luo, Wei; Wang, Xingfeng; Meyers, Colin; Wannenmacher, Nick; Sirisaksoontorn, Weekit; Lerner, Michael M.; Ji, Xiulei

2013-01-01

Magnesiothermic reduction can directly convert SiO2 into Si nanostructures. Despite intense efforts, efficient fabrication of highly nanoporous silicon by Mg still remains a significant challenge due to the exothermic reaction nature. By employing table salt (NaCl) as a heat scavenger for the magnesiothermic reduction, we demonstrate an effective route to convert diatom (SiO2) and SiO2/GeO2 into nanoporous Si and Si/Ge composite, respectively. Fusion of NaCl during the reaction consumes a large amount of heat that otherwise collapses the nano-porosity of products and agglomerates silicon domains into large crystals. Our methodology is potentially competitive for a practical production of nanoporous Si-based materials. PMID:23860418

Efficient fabrication of nanoporous si and Si/Ge enabled by a heat scavenger in magnesiothermic reactions.

PubMed

Luo, Wei; Wang, Xingfeng; Meyers, Colin; Wannenmacher, Nick; Sirisaksoontorn, Weekit; Lerner, Michael M; Ji, Xiulei

2013-01-01

Magnesiothermic reduction can directly convert SiO2 into Si nanostructures. Despite intense efforts, efficient fabrication of highly nanoporous silicon by Mg still remains a significant challenge due to the exothermic reaction nature. By employing table salt (NaCl) as a heat scavenger for the magnesiothermic reduction, we demonstrate an effective route to convert diatom (SiO2) and SiO2/GeO2 into nanoporous Si and Si/Ge composite, respectively. Fusion of NaCl during the reaction consumes a large amount of heat that otherwise collapses the nano-porosity of products and agglomerates silicon domains into large crystals. Our methodology is potentially competitive for a practical production of nanoporous Si-based materials.

Thermal equation of state of NaMg0.5Si2.5O6 and new data on the compressibility of clinopyroxenes

NASA Astrophysics Data System (ADS)

Dymshits, A. M.; Sharygin, I. S.; Podborodnikov, I. V.; Litasov, K. D.; Shatskiy, A. F.; Otani, E.; Pushcharovskii, D. Yu.

2015-03-01

The results of studies of the P-V-T equations of state (EOS) of Na-pyroxene using the multi-anvil technique and synchrotron radiation at pressures up to 15.3 GPa and temperatures up to 1673 K are presented. By fitting the Birch-Murnaghan EOS, the following parameters were determined: V 0 = 407.2 (5) Å3, the space group P2/ n, K T0 = 103 (2) GPa, K T0 = 6.2 (7), ∂ K T /∂ T = -0.018 (7), α = 3.38(13) + 0.65(62) T. Thus, despite the small volume of the cell, Na-pyroxene has a sufficiently high bulk modulus. This can be caused by the appearance of antipathetic bonds in Na-polyhedron, Si-tetrahedra rotation, and the ordering of Mg and Si cations in the M1 position. Thus, it is substantiated that the phase transformations in the minerals accompanied by the presence of Si in octahedral coordination are characterized by a significant change in the physical characteristics, such as density (ρ) and bulk modulus ( K T ). Such transformations occurring in the minerals and deep Earth can lead to significant jumps in the seismic wave velocities. Therefore, the presence of phases with silicon in sixfold coordination, such as Na-Ca majoritic garnet is of fundamental importance for understanding the Earth's upper mantle.

MnTiO3-driven low-temperature oxidative coupling of methane over TiO2-doped Mn2O3-Na2WO4/SiO2 catalyst

PubMed Central

Wang, Pengwei; Zhao, Guofeng; Wang, Yu; Lu, Yong

2017-01-01

Oxidative coupling of methane (OCM) is a promising method for the direct conversion of methane to ethene and ethane (C2 products). Among the catalysts reported previously, Mn2O3-Na2WO4/SiO2 showed the highest conversion and selectivity, but only at 800° to 900°C, which represents a substantial challenge for commercialization. We report a TiO2-doped Mn2O3-Na2WO4/SiO2 catalyst by using Ti-MWW zeolite as TiO2 dopant as well as SiO2 support, enabling OCM with 26% conversion and 76% C2-C3 selectivity at 720°C because of MnTiO3 formation. MnTiO3 triggers the low-temperature Mn2+↔Mn3+ cycle for O2 activation while working synergistically with Na2WO4 to selectively convert methane to C2-C3. We also prepared a practical Mn2O3-TiO2-Na2WO4/SiO2 catalyst in a ball mill. This catalyst can be transformed in situ into MnTiO3-Na2WO4/SiO2, yielding 22% conversion and 62% selectivity at 650°C. Our results will stimulate attempts to understand more fully the chemistry of MnTiO3-governed low-temperature activity, which might lead to commercial exploitation of a low-temperature OCM process. PMID:28630917

A High Pressure Post-Perovskite Phase Transition in NaMgF3--a MgSiO3 Analog Material

NASA Astrophysics Data System (ADS)

Martin, C.; Liu, H.; Crichton, W.; Parise, J. B.

2005-12-01

Since Murakami et al. (2004) identified a perovskite (pv, Pbnm) to post-perovskite (ppv, Cmcm) structural phase transition in MgSiO3, the transition has been reported to occur in many oxides at ultra-high pressures (>60 GPa). The layered ppv structure is rapidly shaping a better understanding of seismic anisotropy in the controversial D" region of the lower mantle. While the ppv unit cell may be derived from indexing of the powder pattern, the structure adopted at high pressure is experimentally ill-constrained due to compromised powder diffraction statistics typically obtained from small sample volumes at extreme conditions in the diamond anvil cell. NaMgF3, a structural analog material to MgSiO3 pv, exhibits a large compressibility and presents the possibility of reducing the pv-ppv transition pressure, allowing for improved powder statistics from a larger sample volume. In accordance with our previous theoretical and experimental evidence (Liu et al., 2005; Parise et al., 2004), we have observed a phase transition in NaMgF3 during two recent independent high pressure trials utilizing monochromatic x-ray diffraction and in-situ laser heating in the diamond anvil cell at pressures as low as 30 GPa. From our analysis thus far, we have found the unit cell of the high pressure phase cannot be indexed according to pv (Pbnm) or close permutations of ppv (Cmcm) unit cells predicted for NaMgF3 or unit cells observed for ppv MgSiO3 and MgGeO3. In addition, we have precluded a breakdown to high pressure phases of NaF and MgF3 as an explanation for the observed data. Upon pressure release, we observe diffraction peaks from the high pressure phase in the absence of pv NaMgF3, suggesting the high pressure structure is quenchable to ambient conditions. The results of the work in progress will be presented at the meeting.

Investigating the solubility and cytocompatibility of CaO-Na2 O-SiO2 /TiO2 bioactive glasses.

PubMed

Wren, Anthony W; Coughlan, Aisling; Smith, Courtney M; Hudson, Sarah P; Laffir, Fathima R; Towler, Mark R

2015-02-01

This study aims to investigate the solubility of a series of titanium (TiO2 )-containing bioactive glasses and their subsequent effect on cell viability. Five glasses were synthesized in the composition range SiO2 -Na2 O-CaO with 5 mol % of increments TiO2 substituted for SiO2 . Glass solubility was investigated with respect to (1) exposed surface area, (2) particle size, (3) incubation time, and (4) compositional effects. Ion release profiles showed that sodium (Na(+) ) presented high release rates after 1 day and were unchanged between 7 and 14 days. Calcium (Ca(2+) ) release presented a significant change at each time period and was also composition dependent, where a reduction in Ca(2+) release is observed with an increase in TiO2 concentration. Silica (Si(4+) ) release did not present any clear trends while no titanium (Ti(4+) ) was released. Cell numbers were found to increase up to 44%, compared to the growing control population, with a reduction in particle size and with the inclusion of TiO2 in the glass composition. © 2014 Wiley Periodicals, Inc.

On the entropy of glaucophane Na2Mg3Al2Si8O22(OH)2

USGS Publications Warehouse

Robie, R.A.; Hemingway, B.S.; Gillet, P.; Reynard, B.

1991-01-01

The heat capacity of glaucophane from the Sesia-Lanza region of Italy having the approximate composition (Na1.93Ca0.05Fe0.02) (Mg2.60Fe0.41) (Al1.83Fe0.15Cr0.01) (Si7.92Al0.08)O22(OH)2 was measured by adiabatic calorimetry between 4.6 and 359.4 K. After correcting the Cp0data to values for ideal glaucophane, Na2Mg3Al2Si8O22(OH)2 the third-law entropy S2980-S00was calculated to be 541.2??3.0 J??mol-1??K-1. Our value for S2980-S00is 12.0 J??mol-1??K-1 (2.2%) smaller than the value of Likhoydov et al. (1982), 553.2??3.0, is within 6.2 J??mol-1??K-1 of the value estimated by Holland (1988), and agrees remarkably well with the value calculated by Gillet et al. (1989) from spectroscopic data, 539 J??mol-1??K-1. ?? 1991 Springer-Verlag.

Influences of Na2O and K2O Additions on Electrical Conductivity of CaO-MgO-Al2O3-SiO2 Melts

NASA Astrophysics Data System (ADS)

Zhang, Guo-Hua; Zheng, Wei-Wei; Chou, Kuo-Chih

2017-04-01

The present study investigated the influences of Na2O and K2O additions on electrical conductivity of blast furnace type CaO-MgO-Al2O3-SiO2 melts by the four-electrode method. Both the single addition of Na2O or K2O and the double additions of Na2O and K2O were studied. It was found that electrical conductivity monotonously increased as the amount of Na2O addition was gradually increased, whereas, when K2O was added, there was a continuous decrease of electrical conductivity. With melts containing both Na2O and K2O, electrical conductivity first decreased but then increased when Na2O was gradually substituted for K2O while keeping the molar fractions of other components constant. In other words, the mixed-alkali effect took place in CaO-Mg-Al2O3-SiO2-ΣR2O melts.

The Albite Fusion Curve Re-examined: New Experiments and the Density and Compressibility of NaAlSi3O8 Liquid With Pressure

NASA Astrophysics Data System (ADS)

Tenner, T. J.; Lange, R. A.

2005-12-01

Two half-reversals on the melting temperature of high albite (NaAlSi3O8) were determined at 2.3 GPa (1360-1370 °C) and 2.8 GPa (1383-1389 °C) in a piston-cylinder apparatus with NaAlSi3O8 glass as the starting material. A detailed thermal gradient across the sample capsule was mapped, which showed a 3.5 °C gradient across the upper third of the sample capsule and a 30 °C gradient across the lower two-thirds. A calibration against the melting curve of NaCl showed a -5 % pressure correction for the BaCO3/MgO/graphite pressure medium used in these experiments. In addition to the glass-crystal half-reversals, a crystal-glass half-reversal at 2.73 GPa was obtained (1389-1399 °C) using high albite as the starting material. All run products that quenched to a glass were analyzed by Fourier-transform infrared spectroscopy and were found to contain < 0.045 wt% H2O. Our experimental constraints on the albite fusion curve are in excellent agreement with those of Birch and LeComte (1960) and Boyd and England (1963), but deviate from those of Boettcher et al. (1982). Our new data on the albite fusion curve at high pressure are compared with the calculated melting reaction based on the best available thermodynamic data at one bar (Lange, 2003), and various values for the pressure dependence of liquid compressibility (K' = dKT,0/dP, where KT,0 = 1/βT,0) for NaAlSi3O8 liquid, using the 3rd-order Birch-Murnaghan equation of state. Our phase-equilibrium data match the fusion curve calculated with a liquid value of 10.0 ± 1.0. This allows the density of NaAlSi3O8 liquid to be calculated at 1500 °C and 3.0 GPa (2.551 ± 0.01 g/cm3), with an uncertainty that is ~0.3 %. The results of this study show that the density and compressibility of this viscous and fully polymerized liquid can be calculated to high pressure (~3 GPa) with a remarkably high precision. Owing to the absence of any coordination change in NaAlSi3O8 liquid to ~8 GPa, calculations of its density and

Mineral-solution equilibria—III. The system Na 2OAl 2O 3SiO 2H 2OHCl

NASA Astrophysics Data System (ADS)

Popp, Robert K.; Frantz, John D.

1980-07-01

Chemical equilibrium between sodium-aluminum silicate minerals and chloride bearing fluid has been experimentally determined in the range 500-700°C at 1 kbar, using rapid-quench hydrothermal methods and two modifications of the Ag + AgCl acid buffer technique. The temperature dependence of the thermodynamic equilibrium constant ( K) for the reaction NaAlSi 3O 8 + HCl o = NaCl o + 1/2Al 2SiO 5, + 5/2SiO 2 + 1/2H 2O Albite Andalusite Qtz. K = (a NaCl o) /(a H 2O ) 1/2/(a HCl o) can be described by the following equation: log k = -4.437 + 5205.6/ T( K) The data from this study are consistent with experimental results reported by MONTOYA and HEMLEY (1975) for lower temperature equilibria defined by the assemblages albite + paragonite + quartz + fluid and paragonite + andalusite + quartz + fluid. Values of the equilibrium constants for the above reactions were used to estimate the difference in Gibbs free energy of formation between NaCl o and HCl o in the range 400-700°C and 1-2 kbar. Similar calculations using data from phase equilibrium studies reported in the literature were made to determine the difference in Gibbs free energy of formation between KCl o and HCl o. These data permit modelling of the chemical interaction between muscovite + kspar + paragonite + albite + quartz assemblages and chloride-bearing hydrothermal fluids.

Delicate Structural Control of Si-SiOx-C Composite via High-Speed Spray Pyrolysis for Li-Ion Battery Anodes.

PubMed

Lee, Seung Jong; Kim, Hye Jin; Hwang, Tae Hoon; Choi, Sunghun; Park, Sung Hyeon; Deniz, Erhan; Jung, Dae Soo; Choi, Jang Wook

2017-03-08

Despite the high theoretical capacity, silicon (Si) anodes in lithium-ion batteries have difficulty in meeting the commercial standards in various aspects. In particular, the huge volume change of Si makes it very challenging to simultaneously achieve high initial Coulombic efficiency (ICE) and long-term cycle life. Herein, we report spray pyrolysis to prepare Si-SiO x composite using an aqueous precursor solution containing Si nanoparticles, citric acid, and sodium hydroxide (NaOH). In the precursor solution, Si nanoparticles are etched by NaOH with the production of [SiO 4 ] 4- . During the dynamic course of spray pyrolysis, [SiO 4 ] 4- transforms to SiO x matrix and citric acid decomposes to carbon surface layer with the assistance of NaOH that serves as a decomposition catalyst. As a result, a Si-SiO x composite, in which Si nanodomains are homogeneously embedded in the SiO x matrix with carbon surface layer, is generated by a one-pot process with a residence time of only 3.5 s in a flow reactor. The optimal composite structure in terms of Si domain size and Si-to-O ratio exhibited excellent electrochemical performance, such as reversible capacity of 1561.9 mAh g -1 at 0.06C rate and ICE of 80.2% and 87.9% capacity retention after 100 cycles at 1C rate.

Impact of a long term fire retardant (Fire Trol 931) on the leaching of Na, Al, Fe, Mn, Cu and Si from a Mediterranean forest soil: a short-term, lab-scale study.

PubMed

Koufopoulou, Sofia; Michalopoulos, Charalampos; Tzamtzis, Nikolaos; Pappa, Athina

2014-06-01

Long term fire retardant (LTR) application for forest fire prevention purposes as well as wildland fires can result in chemical leaching from forest soils. Large quantities of sodium (Na), aluminium (Al), iron (Fe), manganese (Mn), copper (Cu) and silicon (Si) in leachates, mainly due to ammonium (one of the major LTR components) soil deposition, could affect the groundwater quality. The leaching of Na, Al, Fe, Mn, Cu and Si due to nitrogen based LTR application (Fire Trol 931) was studied at laboratory scale. The concentrations of Na(+), Al(3+), Fe(3+)/Fe(2+), Mn(2+), Cu(2+) and Si(4+) were measured in the resulting leachates from pots with forest soil and pine trees alone and in combination with fire. The leaching of Na, Fe and Si from treated pots was significantly greater than that from control pots. The leaching of Al, Mn and Cu was extremely low.

Luminescent Enhancement of Na+ and Sm3+ Co-doping Reddish Orange SrCa3Si2O8 Phosphors

NASA Astrophysics Data System (ADS)

Chun, Fengjun; Zhang, Binbin; Li, Wen; Liu, Honggang; Deng, Wen; Chu, Xiang; Osman, Hanan; Zhang, Haitao; Yang, Weiqing

2018-04-01

Reddish orange SrCa3Si2O8 phosphors, prepared by the facile solid state reaction method, are a luminescent enhancement of Na+ and Sm3+ co-doping luminescent material. Na+ was designed to compensate the charge imbalance of Sm3+ ion substituting for the Sr2+ ion of orthorhombic SrCa3Si2O8 crystals. The results suggest that Na+ can effectively enhance the luminescent intensity of the reddish orange light peaked at about 562 nm (4 G 5/2 → 6 H 5/2), 600 nm (4 G 5/2 → 6 H 7/2) and 645 nm (4 G 5/2 → 6 H 9/2) excited by the near ultraviolet excited light 404 nm (4 L 13/2 → 6 H 5/2). The energy transfer has been further verified by the florescence lifetime. Additionally, the luminescent lifetime τ of as-grown phosphors was separated into two parts, a rapid lifetime and a slow lifetime. The average lifetime results ranged from 2.098 to 1.329 ms which were influenced by the concentration of Sm3+ doping. The systematic researches of as-grown phosphors have clearly suggested a potential application for white-light-emitting diodes ( w-LEDs).

Critical Surface Parameters for the Oxidative Coupling of Methane over the Mn-Na-W/SiO2 Catalyst.

PubMed

Hayek, Naseem S; Lucas, Nishita S; Warwar Damouny, Christine; Gazit, Oz M

2017-11-22

The work here presents a thorough evaluation of the effect of Mn-Na-W/SiO 2 catalyst surface parameters on its performance in the oxidative coupling of methane (OCM). To do so, we used microporous dealuminated β-zeolite (Zeo), or mesoporous SBA-15 (SBA), or macroporous fumed silica (Fum) as precursors for catalyst preparation, together with Mn nitrate, Mn acetate and Na 2 WO 4 . Characterizing the catalysts by inductively coupled plasma-optical emission spectroscopy, N 2 physisorption, X-ray diffraction, high-resolution scanning electron microscopy-energy-dispersive spectroscopy, X-ray photoelectron spectroscopy, and catalytic testing enabled us to identify critical surface parameters that govern the activity and C 2 selectivity of the Mn-Na-W/SiO 2 catalyst. Although the current paradigm views the phase transition of silica to α-cristobalite as the critical step in obtaining dispersed and stable metal sites, we show that the choice of precursors is equally or even more important with respect to tailoring the right surface properties. Specifically, the SBA-based catalyst, characterized by relatively closed surface porosity, demonstrated low activity and low C 2 selectivity. By contrast, for the same composition, the Zeo-based catalyst showed an open surface pore structure, which translated up to fourfold higher activity and enhanced selectivity. By varying the overall composition of the Zeo catalysts, we show that reducing the overall W concentration reduces the size of the Na 2 WO 4 species and increases the catalytic activity linearly as much as fivefold higher than the SBA catalyst. This linear dependence correlates well to the number of interfaces between the Na 2 WO 4 and Mn 2 O 3 species. Our results combined with prior studies lead us to single out the interface between Na 2 WO 4 and Mn 2 O 3 as the most probable active site for OCM using this catalyst. Synergistic interactions between the various precursors used and the phase transition are discussed in

Fluor-ferro-leakeite, NaNa2(FC2+2Fe3+2Li)Si8O22F2, a new alkali amphibole from the Canada Pinabete pluton, Questa, New Mexico, U.S.A.

USGS Publications Warehouse

Hawthorne, F.C.; Oberti, R.; Ungaretti, L.; Ottolini, L.; Grice, Joel D.; Czamanske, G.K.

1996-01-01

Fluor-ferro-leakeite is a new amphibole species from the Canada Pinabete pluton, Questa, New Mexico, U.S.A.; it occurs in association with quartz, alkali feldspar, acmite, ilmenite, and zircon. It forms as anhedral bluish black crystals elongated along c and up to 1 mm long. It is brittle, H = 6, Dmeas = 3.37 g/cm3, Dcalc = 3.34 g/cm3. In plane-polarized light, it is strongly pleochroic, X = very dark indigo blue, Y = gray blue, Z = yellow green; X ??? c = 10?? (in ??obtuse), Y = b, Z ??? a = 4?? (in ?? obtuse), with absorption X > Y > Z. Fluor-ferro-leakeite is biaxial positive, ?? = 1.675(2), ??= 1.683(2), ?? = 1.694(1); 2V = 87(2)??; dispersion is not visible because of the strong absorption. Fluor-ferro-leakeite is monoclinic, space group C2/m, a = 9.792(1), b = 17.938(1), c = 5.3133(4) A??, ??= 103.87(7)??, V = 906.0(1) A??3, Z = 2. The ten strongest X-ray diffraction lines in the powder pattern are [d(I,hkl)]: 2.710(100,151), 2.536(92,202), 3.404(57,131), 4.481(54,040), 8.426(45,110), 2.985(38,241), 2.585(38,061), 3.122(29,310), 2.165(26,261), and 1.586(25,403). Analysis by a combination of electron microprobe, ion microprobe, and crystal-structure refinement (Hawthorne et al. 1993) gives SiO2 51.12, Al2O3 1.13, TiO2 0.68, Fe2O3 16.73, FeO 8.87, MgO 2.02, MnO 4.51, ZnO 0.57, CaO 0.15, Na2O 9.22, K2O 1.19, Li2O 0.99, F 2.87, H2Ocalc 0.60, sum 99.44 wt%. The formula unit, calculated on the basis of 23 O atoms, is (K0.23Na0.76)(Na1.97Ca0.03)(Mg 0.46Fe2+1.4Mn2+0.59Zn0.07Fe3+1.93-Ti 0.08Al0.02Li0.61])(Si7.81Al 0.19)O22(F1.39OH0.61). A previous crystal-structure refinement (Hawthorne et al. 1993) shows Li to be completely ordered at the M3 site. Fluor-ferro-leakeite, ideally NaNa2(Fe2+2Fe3+2Li)Si8O22F2, is related to leakeite, NaNa2(Mg2Fe3+3Li)Si 8O22(OH)2, by the substitutions Fe2+ ??? Mg and F ??? OH.

Corrosion pitting of SiC by molten salts

NASA Technical Reports Server (NTRS)

Jacobson, N. S.; Smialek, J. L.

1986-01-01

The corrosion of SiC by thin films of Na2CO3 and Na2SO4 at 1000 C is characterized by a severe pitting attack of the SiC substrate. A range of different Si and SiC substrates were examined to isolate the factors critical to pitting. Two types of pitting attack are identified: attack at structural discontinuities and a crater-like attack. The crater-like pits are correlated with bubble formation during oxidation of the SiC. It appears that bubbles create unprotected regions, which are susceptible to enhanced attack and, hence, pit formation.

The effect of NaOH concentration on the steam-hydrothermally treated bioactive microarc oxidation coatings containing Ca, P, Si and Na on pure Ti surface.

PubMed

Zhou, Rui; Wei, Daqing; Cao, Jianyun; Feng, Wei; Cheng, Su; Du, Qing; Li, Baoqiang; Wang, Yaming; Jia, Dechang; Zhou, Yu

2015-04-01

The microarc oxidation (MAO) coating covered pure Ti plates are steam-hydrothermally treated in autoclaves containing NaOH solutions with different concentrations of 0, 0.001, 0.01, 0.1 and 1mol·L(-1). Due to the composition of Ti, O, Ca, P, Si and Na elements in the MAO coating, anatase and hydroxyapatite (HA) crystals are generated from the previously amorphous MAO coating after the steam-hydrothermal treatment. Meanwhile, it is noticed that the amount of HA crystals increases but showing a decline trend in aspect ratio in morphologies with the increasing of NaOH concentration. Interestingly, the steam-hydrothermally treated MAO coatings exhibit better bonding strength with Ti substrate (up to 43.8±1.1MPa) than that of the untreated one (20.1±3.1MPa). In addition, benefiting from the corrosive attack of the dissolved NaOH in water vapor on the MAO coating, Ti-OH is also formed on the steam-hydrothermally treated MAO coating surface, which can trigger apatite nucleation. Thus, the steam-hydrothermally treated MAO coatings exhibit good apatite-inducing ability. Copyright © 2015 Elsevier B.V. All rights reserved.

Characterization and electrochemical properties of Ni(Si)/Ni5Si2 multiphase coatings prepared by HVOF spraying

NASA Astrophysics Data System (ADS)

Verdian, M. M.; Raeissi, K.; Salehi, M.

2012-11-01

Ni(Si)/Ni5Si2 powders were produced by mechanical alloying (MA) of Ni-25 at.% Si powder mixture. Then, the as-milled powders were sprayed onto copper substrate using high velocity oxy-fuel (HVOF) process. The phase composition and microstructure of the coatings were examined by X-ray diffractometry and scanning electron microscopy. Polarization tests and electrochemical impedance spectroscopy (EIS) measurements were also employed to study corrosion performance of the coatings in 3.5% NaCl solution. The results showed that although single phase Ni3Si was formed during annealing of Ni(Si)/Ni5Si2 powders, but, only Ni(Si) and Ni5Si2 are present in HVOF coatings and no new phase has been formed during spraying. The coatings had microhardness up to 746 HV0.05. Further investigations showed the corrosion performance of multiphase coatings in 3.5% NaCl solution was better than that of copper substrate. The phase transitions during MA, HVOF and annealing processes were discussed in association with Ni-Si phase diagram and nature of each process.

Direct measurement of the spin gap in a quasi-one-dimensional clinopyroxene: NaTiSi 2 O 6

DOE PAGES

Silverstein, Harlyn J.; Smith, Alison E.; Mauws, Cole; ...

2014-10-13

True inorganic Spin-Peierls materials are extremely rare, but NaTiSi 2O 6 was at one time considered an ideal candidate due to it having well separated chains of edge-sharing TiO 6 octahedra. At low temperatures, this material undergoes a phase transition from C2/c to Pmore » $$\\bar{1}$$ symmetry, where Ti 3+-Ti 3+ dimers begin to form within the chains. However, it was quickly realized with magnetic susceptibility that simple spin fluctuations do not progress to the point of enabling such a transition. Since then, considerable experimental and theoretical endeavours have been taken to find the true ground state of this system and explain how it manifests. Here, we employ the use of x-ray diffraction, neutron spectroscopy, and magnetic susceptibility to directly and simultaneously measure the symmetry loss, spin singlet-triplet gap, and phonon modes. Lastly, we observed a gap of 53(3) meV, fit to the magnetic susceptibility, and compared to previous theoretical models to unambiguously assign NaTiSi 2O 6 as having an orbital-assisted Peierls ground state.« less

Effect of Guest Atom Composition on the Structural and Vibrational Properties of the Type II Clathrate-Based Materials AxSi136, AxGe136 and AxSn136 (A = Na, K, Rb, Cs; 0 ≤ x ≤ 24).

PubMed

Xue, Dong; Myles, Charles W; Higgins, Craig

2016-08-11

Type II clathrates are interesting due to their potential thermoelectric applications. Powdered X-ray diffraction (XRD) data and density functional calculations for Na x Si 136 found a lattice contraction as x increases for 0 < x < 8 and an expansion as x increases for x > 8. This is explained by XRD data that shows that as x increases, the Si 28 cages are filled first for x < 8 and the Si 20 cages are then filled for x > 8. Motivated by this work, here we report the results of first-principles calculations of the structural and vibrational properties of the Type II clathrate compounds A x Si 136 , A x Ge 136 , and A x Sn 136 . We present results for the variation of the lattice constants, bulk moduli, and other structural parameters with x. These are contrasted for the Si, Ge, and Sn compounds and for guests A = Na, K, Rb, and Cs. We also present calculated results of phonon dispersion relations for Na₄Si 136 , Na₄Ge 136 , and Na₄Sn 136 and we compare these for the three materials. Finally, we present calculated results for the elastic constants in Na x Si 136 , Na x Ge 136 , and Na x Sn 136 for x = 4 and 8. These are compared for the three hosts, as well as for the two compositions.

Structural, optical, and magnetic properties of Na{sub 8}Eu{sub 2}(Si{sub 2}S{sub 6}){sub 2} and Na{sub 8}Eu{sub 2}(Ge{sub 2}S{sub 6}){sub 2}: Europium(II) quaternary chalcogenides that contain an ethane-like (Si{sub 2}S{sub 6}){sup 6−} or (Ge{sub 2}S{sub 6}){sup 6−} moiety

DOE Office of Scientific and Technical Information (OSTI.GOV)

Choudhury, Amitava, E-mail: choudhurya@mst.edu; Ghosh, Kartik; Grandjean, Fernande

2015-03-15

Two isostructural europium(II) quaternary chalcogenides, Na{sub 8}Eu{sub 2}(Si{sub 2}S{sub 6}){sub 2}, 1, and Na{sub 8}Eu{sub 2}(Ge{sub 2}S{sub 6}){sub 2}, 2, containing an ethane-like (Si{sub 2}S{sub 6}){sup 6−} or (Ge{sub 2}S{sub 6}){sup 6−} moiety have been synthesized by employing the polychalcogenide molten flux method. Single-crystal X-ray diffraction reveals that both compounds crystallize in the C2/m space group, and their structures contain layers of ([Na{sub 2}Eu{sub 2}(Si{sub 2}S{sub 6}){sub 2}]{sup 6−}){sub ∞} or ([Na{sub 2}Eu{sub 2}(Ge{sub 2}S{sub 6}){sub 2}]{sup 6−}){sub ∞} anions held together by six interlayer sodium cations to yield (Na{sub 6}[Na{sub 2}Eu{sub 2}(Si{sub 2}S{sub 6}){sub 2}]){sub ∞} and (Na{sub 6}[Na{submore » 2}Eu{sub 2}(Ge{sub 2}S{sub 6}){sub 2}]){sub ∞}. Compound 2 is a semiconductor with an optical band gap of 2.15(2) eV. The temperature dependence of the magnetic susceptibility indicates that compounds 1 and 2 are paramagnetic with μ{sub eff}=7.794(1) μ{sub B} per Eu and g=1.964(1) for 1 and μ{sub eff}=8.016(1) μ{sub B} per Eu and g=2.020(1) for 2, moments that are in good agreement with the europium(II) spin-only moment of 7.94 μ{sub B}. The europium-151 Mössbauer isomer shift of 2 confirms the presence of europium(II) cations with an electronic configuration between [Xe]4f{sup 6.81} and 4f{sup 7}6s{sup 0.32}. - Graphical abstract: TOC figure caption: structure of Na{sub 8}Eu{sub 2}(Si{sub 2}S{sub 6}){sub 2} viewed along the a-axis showing the filling of A–B and B–A types of anion layers with two different types of cations. - Highlights: • Synthesis of quaternary europium chalcogenides containing ethane-like dimer. • Structural characterization employing single-crystal X-ray diffraction. • Mössbauer spectroscopy and magnetic measurements confirm presence of Eu(II)« less

Synthesis of zeolites Na-A and Na-X from tablet compressed and calcinated coal fly ash

NASA Astrophysics Data System (ADS)

Hu, Tao; Gao, Wenyan; Liu, Xin; Zhang, Yifu; Meng, Changgong

2017-10-01

Zeolites Na-A and Na-X are important synthetic zeolites widely used for separation and adsorption in industry. It is of great significance to develop energy-efficient routines that can synthesize zeolites Na-A and Na-X from low-cost raw materials. Coal fly ash (CFA) is the major residue from the combustion of coal and biomass containing more than 85% SiO2 and Al2O3, which can readily replace the conventionally used sodium silicate and aluminate for zeolite synthesis. We used Na2CO3 to replace the expensive NaOH used for the calcination of CFA and showed that tablet compression can enhance the contact with Na2CO3 for the activation of CFA through calcination for the synthesis of zeolites Na-A and Na-X under mild conditions. We optimized the control variables for zeolite synthesis and showed that phase-pure zeolite Na-A can be synthesized with CFA at reactant molar ratio, hydrothermal reaction temperature and reaction time of 1.3Na2O: 0.6Al2O3: 1SiO2: 38H2O at 80°C for 6 h, respectively, while phase-pure zeolite Na-X can be synthesized at 2.2Na2O: 0.2Al2O3: 1SiO2: 88H2O at 100°C for 8 h, respectively. The composition, morphology, specific surface area, vibration spectrum and thermogravimetry of synthesized Na-A and Na-X were further characterized.

Thermodynamics, Diffusion, and Structure of Liquid NaAlSi3O8 at Elevated Temperature and Pressure from Molecular Dynamics Simulations

NASA Astrophysics Data System (ADS)

Neilson, R.; Spera, F. J.; Ghiorso, M. S.

2014-12-01

Thermodynamic properties of silicate melts at high temperature (T) and pressure (P) are crucial to understanding Earth accretion, magma oceans, petrogenesis, and crustal growth. However, equations of state for silicate liquids at mantle conditions are scarce, due to experimental challenges. Molecular Dynamics (MD) simulations allow investigation of thermodynamic and transport properties of silicate melts at high P and T and enable the correlation of liquid structure with computed properties. Using classical MD, we studied liquid NaAlSi3O8 in the range 0-42 GPa and 3000-5137 K. Density ranged from 2.2 to 3.6 g/cm3, and all simulations were performed in the microcanonical (NEV) ensemble using the potential from Matsui (1998). An equation of state with internal energy E(V,T) was developed using the RT scaling-Vinet formulation (Ghiorso et al., 2009). From thermodynamic relationships, the Grüneisen parameter, isobaric expansivity, isothermal compressibility, heat capacity, and other functions are computed over the P-T range of the MD simulations. Diffusion coefficients (D) range from 1.5×10-9 to 5.9×10-8 m2/s and typically order Na>Al>O>Si at a given state point. Generally, D decreases with P and increases with T except for a low P anomalous region along the 3065 K isotherm. Anomalous diffusion for Al, Si, and O is congruent with laboratory experiments at P<10 GPa (e.g., Shimizu and Kushiro, 1984; Poe et al., 1997; Tinker and Lesher, 2001; Tinker et al., 2003). Activation energy for Na is on the order of -75.3 kJ/mol with activation volume -1.74 cm3/mol. The anomalous peak in diffusivity for Si and O occurs at ~3 GPa, which marks a subtle increase in the average coordination number (CN) for O around O from 9.35 to 10.31. The average CN for O around O generally increases with P, but it systematically drops at 8, 15, and 20 GPa for 3065, 3944, and 5137 K, respectively. The concentrations of AlO5 and SiO5 polyhedra maximize near 16 and 35 GPa, respectively.

Preparation of xerogel SiO2 from roasted iron sand under various acidic solution

NASA Astrophysics Data System (ADS)

Ramelan, A. H.; Wahyuningsih, S.; Ismoyo, Y. A.; Pranata, H. P.; Munawaroh, H.

2016-11-01

Xerogel SiO2 had been prepared from roasted iron sand through variation of Na2CO3 addition and sol-gel process under various acidic solution. Roasting treatment was carried out on the compositional variation of iron sand:Na2CO3 = 1:2; 1:1 and 2:1 at 1100 °C. While the sol-gel process was conducted at room temperature and neutralized using HCl 0.1 M and 6 M. The color characteristics of roasted iron sand shown light brown, dark brown and dark gray of the compositional variation of iron sand:Na2CO3 = 1:2; 1:1 and 2:1, respectively. In addition, the levels of thoughness increased by increasing the ratio of sand in the composition of the mixture. The best composition of roasted treatment was at a variety of iron sand:Na2SiO3 = 1:2 with 57.72% had been dissolved in hot water. The addition of Na2CO3 will influence the Na2SiO3 formation, because of the increase of Na2CO3 capable produced the iron sand decomposition product. Na2SiO3 gel had been produced after it was neutralized with certain amount of HCl solution. The neutralization was more effective if using high concentration of HCl because of the formation of gel SiO2 will be easier occurred. The results of SiO2 had been identified by the FTIR spectra, which an absorption spectra of Si-O-Si asymmetric stretching at 1098.51 cm-1, symmetric stretching of Si-O-Si at 804.35 cm-1 and the bending O-Si-O at 469.69 cm'1. The result of SiO2 content by XRF analysis is about 85.15%.

Optical temperature sensing of NaYbF4: Tm3+@SiO2 core-shell micro-particles induced by infrared excitation.

PubMed

Wang, Xiangfu; Zheng, Jin; Xuan, Yan; Yan, Xiaohong

2013-09-09

NaYbF(4):Tm3+@SiO(2) core-shell micro-particles were synthesized by a hydrothermal method and subsequent ultrasonic coating process. Optical temperature sensing has been observed in NaYbF4: Tm(3+)@SiO(2)core-shell micro-particles with a 980 nm infrared laser as excitation source.The fluorescence intensity ratios, optical temperature sensitivity, and temperature dependent population re-distribution ability from the thermally coupled (1)D(2)/(1)G(4) and (3)F(2) /(3)H(4) levels of the Tm(3+) ion have been analyzed as a function of temperature in the range of 100~700 K in order to check its availability as a optical temperature sensor. A better behavior as a lowtemperature sensor has been obtained with a minimum sensitivity of 5.4 × 10(-4) K(-1) at 430 K. It exhibits temperature induced population re-distribution from (1)D(2) /(1)G(4) thermally coupled levels at higher temperature range.

A vibrational spectroscopic study of the silicate mineral lomonosovite Na5Ti2(Si2O7)(PO4)O2

NASA Astrophysics Data System (ADS)

Frost, Ray L.; López, Andrés; Theiss, Frederick L.; Graça, Leonardo M.; Scholz, Ricardo

2015-01-01

The mineral lomonosovite has been studied using a combination of scanning electron microscopy with energy dispersive X-ray analysis and vibrational spectroscopy. Qualitative chemical analysis gave Si, P, Na and Ti as the as major elements with small amounts of Mn, Ca, Fe and Al. The mineral lomonosovite has a formula Na5Ti2(Si2O7)(PO4)O2. Raman bands observed at 909, 925 and 939 cm-1 are associated with phosphate units. Raman bands found at 975, 999, 1070, 1080 and 1084 cm-1 are attributed to siloxane stretching vibrations. The observation of multiple bands in both the phosphate stretching and bending regions supports the concept that the symmetry of the phosphate anion in the structure of lomonosovite is significantly reduced. Infrared spectroscopy identifies bands in the water stretching and bending regions, thus suggesting that water is involved with the structure of lomonosovite either through adsorption on the surface or by bonding to the phosphate units.

Molten salt corrosion of SiC: Pitting mechanism

NASA Technical Reports Server (NTRS)

Jacobson, N. S.; Smialek, J. L.

1985-01-01

Thin films of Na2SO4 and Na2CO3 at 1000 C lead to severe pitting of sintered alpha-SiC. These pits are important as they cause a strength reduction in this material. The growth of product layers is related to pit formation for the Na2CO3 case. The early reaction stages involve repeated oxidation and dissolution to form sodium silicate. This results in severe grain boundary attack. After this a porous silica layer forms between the sodium silicate melt and the SiC. The pores in this layer appear to act as paths for the melt to reach the SiC and create larger pits.

Effects of ion irradiation on the mechanical properties of SiNa wO xC yH z sol-gel derived thin films

NASA Astrophysics Data System (ADS)

Lucca, D. A.; Qi, Y.; Harriman, T. A.; Prenzel, T.; Wang, Y. Q.; Nastasi, M.; Dong, J.; Mehner, A.

2010-10-01

A study of the effects of ion irradiation of hybrid organic/inorganic modified silicate thin films on their mechanical properties is presented. NaOH catalyzed SiNa wO xC yH z thin films were synthesized by sol-gel processing from tetraethylorthosilicate (TEOS) and methyltriethoxysilane (MTES) precursors and spin-coated onto Si substrates. After drying at 300 °C, the films were irradiated with 125 keV H + or 250 keV N 2+ at fluences ranging from 1 × 10 14 to 2.5 × 10 16 ions/cm 2. Nanoindentation was used to characterize the films. Changes in hardness and reduced elastic modulus were examined as a function of ion fluence and irradiating species. The resulting increases in hardness and reduced elastic modulus are compared to similarly processed acid catalyzed silicate thin films.

Molten salt corrosion of hot-pressed Si sub 3 N sub 4 /SiC-reinforced composites and effects of molten salt exposure on slow crack growth of hot-pressed Si sub 3 N sub 4

DOE Office of Scientific and Technical Information (OSTI.GOV)

Henager, C.H. Jr.; Jones, R.H.

1989-11-03

Corrosion and slow crack growth of hot-pressed Si{sub 3}N{sub 4}- based ceramic materials were studied to arrive at an initial determination of the severity of Na{sub 2}SO{sub 4} molten salt environments. Slow crack growth testing revealed that Na{sub 2}SO{sub 4} molten salt exposure accelerated crack growth in hot-pressed Si{sub 3}N{sub 4} compared to crack growth in air at 1300 C. The salt exposure was observed to reduce the time to failure of precracked specimens by factors of two or three. Measured crack velocity was observed to obey a power law, V = AK{sup n}, with n = 5.2 {plus minus}more » 0.2 and A = 7.6 {times} 10{sup {minus}10}. Standard corrosion coupon tests were performed on specimens of Si{sub 3}N{sub 4}/SiC-reinforced composites and hot-pressed Si{sub 3}N{sub 4} monolithic material. Weight change measurements were performed after eight-hour immersion exposures at 950, 975, and 1000 C to Na{sub 2}SO{sub 4}. Hot-pressed Si{sub 3}N{sub 4} + 5% MgO and Si{sub 3}N{sub 4}/SiC whisker-reinforced material exhibited similar surface features after molten salt exposure. A Si{sub 3}N{sub 4}/SiC fiber-reinforced material, however, revealed complete dissolution of SiC chopped fiber reinforcements.« less

Self induced gratings in ternary SiO2:SnO2:Na2O bulk glasses by UV light seeding.

PubMed

Lancry, M; Douay, M; Niay, P; Beclin, F; Menke, Y; Milanese, D; Ferraris, M; Poumellec, B

2005-09-05

The diffraction efficiency of gratings written in ternary SnO2:SiO2:Na2O bulk glasses rises dramatically with time after the occultation of the cw 244nm light used to write the thick hologram. This self-induced behavior lasts for several hours and ultimately leads to refractive index changes as high as 3 10-3.

Environment Humidity Effect on the Weight of Carbonized Na-Al-Si Glass Fabrics Recovery after Heating

NASA Astrophysics Data System (ADS)

Pentjuss, E.; Lusis, A.; Gabrusenoks, J.; Bajars, G.

2015-03-01

Na-Al-Si glass fabrics fibres contain Na+ ions that diffuse to its surface and along with CO2 and H2O from atmosphere create here the shell of carbonate hydrates. The heating of fabric leads to weight loss by evolving these substances. In this work the results of weight recovery study at room relative humidity (20% - 50%) and elevated humidity (near 70%) of fabrics after its heating at different temperatures (70°C - 150°C) are compared. The experiments shoved the different weight recovery kinetics. The initial exponential stages up to 0.3 h - 0.5 h of the both recoveries are associated with water absorption and differ by its levels. In a case of lower environment humidity the later weight increase are restricted by its value, but at an elevated humidity has a maximum and followed weight increase. The reasons of observed differences are discussed.

Monoclinic Sr(1-x)Na(x)SiO(3-0.5x): new superior oxide ion electrolytes.

PubMed

Singh, Preetam; Goodenough, John B

2013-07-10

Oxide ion electrolytes determine the temperature of operation of solid oxide fuel cells, oxygen separation membranes, and oxygen sensors. There is a strong incentive to lower their operating temperatures, in a solid oxide fuel cell, for example, from Top > 800 °C to Top ≈ 500 °C. The use of low-cost Na(+) rather than K(+) as the dopant in monoclinic SrSiO3 (C12/C1) is shown to provide a larger solid solution range (0 < x ≤ 0.45) in Sr1-xNaxSiO3-0.5x and to achieve an oxide ion conductivity σo ≥ 10(-2) S·cm(-1) by 525 °C as a result of lowering the temperature of a smooth transition to full disorder of the mobile oxide ions. The Sr1-xNaxSiO3-0.5x electrolytes are much less hygroscopic than Sr1-xKxSiO3-0.5x and are stable with a nickel composite anode in 5% H2/Ar as well as with cathodes such as La1-xSrxMnO3-δ and Sr0.7Y0.3CoO3-δ in air, which makes them candidate electrolytes for intermediate-temperature solid oxide fuel cells or for other applications of oxide ion electrolytes.

Effects of Al2O3, B2O3, Li2O, Na2O, and SiO2 on Nepheline Crystallization in Hanford High Level Waste Glasses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kroll, Jared O.; Vienna, John D.; Schweiger, Michael J.

2016-09-15

Nepheline (nominally NaAlSiO4) formation during slow cooling of high-alumina (25.4 - 34.5 mass% Al2O3) Hanford high level waste glasses may significantly reduce product durability. To investigate the effects of composition on nepheline crystallization, 29 compositions were formulated by adjusting Al2O3, B2O3, Li2O, Na2O, and SiO2 around a baseline glass that precipitated 12 mass% nepheline. Thirteen of these compositions were generated by adjusting one-component-at-a-time, while two or three components were adjusted to produce the other 16 (with all remaining components staying in the same relative proportions). Quantitative X-ray diffraction was used to determine nepheline concentration in each sample. Twenty two glassesmore » precipitated nepheline, two of which also precipitated eucryptite (nominally LiAlSiO4), and one glass formed only eucryptite upon slow cooling. Increasing Na2O and Li2O had the strongest effect in promoting nepheline formation. Increasing B2O3 inhibited nepheline formation. SiO2 and Al2O3 showed non-linear behavior related to nepheline formation. The composition effects on nepheline formation in these glasses are reported.« less

Tetragonal Almandine, (Fe,Mg,Ca,Na)3(Al,Si,Mg)2Si3O12, a New High-Pressure Mineral from the Shergotty Impact on Mars: an Integrated FESEM-EPMA-Synchrotron Diffraction Investigation

NASA Astrophysics Data System (ADS)

Ma, C.; Tschauner, O. D.

2016-12-01

The combination of FESEM-EDS-EBSD, EPMA, and synchrotron microdiffraction is developing into a powerful tool for identification of micron-scale minerals in rocks such as high-pressure phases in shocked meteorites. During a nanomineralogy investigation of the Shergotty meteorite using this approach, we have identified a new shock-induced high-pressure silicate, majoritic almandine with a tetragonal I41/a structure, in an impact melt pocket. The Shergotty meteorite, which fell in the Gaya district, Bihar, India in 1865, is a Martian basaltic shergottite with shock features. Tetragonal almandine in Shergotty occurs as aggregates of subhedral crystals, 0.8 - 2.5 µm in diameter, along with stishovite in the central region of a shock melt pocket, showing an empirical formula of (Fe1.16Ca0.75Mg0.61Na0.42Mn0.03K0.01)(Al1.16Si0.63Mg0.19Ti0.02)Si3O12. Its general formula is (Fe,Mg,Ca,Na)3(Al,Si,Mg)2Si3O12. EBSD indicated this phase has a garnet-related structure. Synchrotron X-ray diffraction revealed that this garnet has actually a tetragonal structure (I41/a) with unit cell dimensions: a = 11.585(9) Å, c = 11.63(4) Å, V = 1561(7) Å3, and Z = 8. Tetragonal almandine is the polymorph of cubic almandine, a new high-pressure garnet mineral, formed by shock metamorphism via the Shergotty impact event on Mars. It apparently crystallized from Fe-rich shock-induced melt under high-pressure and high-temperature conditions.

A High Capacity, Good Safety and Low Cost Na2FeSiO4-Based Cathode for Rechargeable Sodium-Ion Battery.

PubMed

Guan, Wenhao; Pan, Bin; Zhou, Peng; Mi, Jinxiao; Zhang, Dan; Xu, Jiacheng; Jiang, Yinzhu

2017-07-12

Rechargeable sodium-ion batteries (SIBs) are receiving intense interest because the resource abundance of sodium and its lithium-like chemistry make them low cost alternatives to the prevailing lithium-ion batteries in large-scale energy storage devices. Two typical classes of materials including transition metal oxides and polyanion compounds have been under intensive investigation as cathodes for SIBs; however, they are still limited to poor stability or low capacity of the state-of-art. Herein, we report a low cost carbon-coated Na 2 FeSiO 4 with simultaneous high capacity and good stability, owing to the highly pure Na-rich triclinic phase and the carbon-incorporated three-dimensional network morphology. The present carbon-coated Na 2 FeSiO 4 demonstrates the highest reversible capacity of 181.0 mAh g -1 to date with multielectron redox reaction that occurred among various polyanion-based SIBs cathodes, which achieves a close-to-100% initial Coulombic efficiency and a stable cycling with 88% capacity retention up to 100 cycles. In addition, such an electrode shows excellent stability either charged at a high voltage of 4.5 V or heated up to 800 °C. The present work might open up the possibility for developing high capacity, good safety and low cost polyanion-based cathodes for rechargeable SIBs.

Synthesis of Nanoscale CaO-Al2O3-SiO2-H2O and Na2O-Al2O3-SiO2-H2O Using the Hydrothermal Method and Their Characterization

PubMed Central

Yang, Jingbin; Li, Dongxu; Fang, Yuan

2017-01-01

C-A-S-H (CaO-Al2O3-SiO2-H2O) and N-A-S-H (Na2O-Al2O3-SiO2-H2O) have a wide range of chemical compositions and structures and are difficult to separate from alkali-activated materials. Therefore, it is difficult to analyze their microscopic properties directly. This paper reports research on the synthesis of C-A-S-H and N-A-S-H particles with an average particle size smaller than 300 nm by applying the hydrothermal method. The composition and microstructure of the products with different CaO(Na2O)/SiO2 ratios and curing conditions were characterized using XRD, the RIR method, FTIR, SEM, TEM, and laser particle size analysis. The results showed that the C-A-S-H system products with a low CaO/SiO2 ratio were mainly amorphous C-A-S-H gels. With an increase in the CaO/SiO2 ratio, an excess of Ca(OH)2 was observed at room temperature, while in a high-temperature reaction system, katoite, C4AcH11, and other crystallized products were observed. The katoite content was related to the curing temperature and the content of Ca(OH)2 and it tended to form at a high-temperature and high-calcium environment, and an increase in the temperature renders the C-A-S-H gels more compact. The main products of the N-A-S-H system at room temperature were amorphous N-A-S-H gels and a small amount of sodalite. An increase in the curing temperature promoted the formation of the crystalline products faujasite and zeolite-P. The crystallization products consisted of only zeolite-P in the high-temperature N-A-S-H system and its content were stable above 70%. An increase in the Na2O/SiO2 ratio resulted in more non-bridging oxygen and the TO4 was more isolated in the N-A-S-H structure. The composition and microstructure of the C-A-S-H and N-A-S-H system products synthesized by the hydrothermal method were closely related to the ratio of the raw materials and the curing conditions. The results of this study increase our understanding of the hydration products of alkali-activated materials. PMID

Characterization of a small CsI(Na)-WSF-SiPM gamma camera prototype using 99mTc

NASA Astrophysics Data System (ADS)

Castro, I. F.; Soares, A. J.; Moutinho, L. M.; Ferreira, M. A.; Ferreira, R.; Combo, A.; Muchacho, F.; Veloso, J. F. C. A.

2013-03-01

A small field of view gamma camera is being developed, aiming for applications in scintimammography, sentinel lymph node detection or small animal imaging and research. The proposed wavelength-shifting fibre (WSF) gamma camera consists of two perpendicular sets of WSFs covering both sides of a CsI(Na) crystal, such that the fibres positioned at the bottom of the crystal provide the x coordinate and the ones on top the y coordinate of the gamma photon interaction point. The 2D position is given by highly sensitive photodetectors reading out each WSF and the energy information is provided by PMTs that cover the full detector area. This concept has the advantage of using N+N instead of N × N photodetectors to cover an identical imaging area, and is being applied using for the first time SiPMs. Previous studies carried out with 57Co have proved the feasibility of this concept using SiPM readout. In this work, we present experimental results from true 2D image acquisitions with a 10+10 SiPMs prototype, i.e. 10 × 10 mm2, using a parallel-hole collimator and different samples filled with 99mTc solution. The performance of the small prototype in these conditions is evaluated through the characterization of different gamma camera parameters, such as energy and spatial resolution. Ongoing advances towards a larger prototype of 100+100 SiPMs (10 × 10 cm2) are also presented.

Raman spectroscopic study of synthesized Na-bearing majoritic garnets

NASA Astrophysics Data System (ADS)

Okamoto, K.

2003-12-01

Majoritic garnets in diamond have been considered as the sample from mantle transition zone (e.g. Moore and Gurney, 1985). For non-destructive, in-situ Raman analysis, Gillet et al. (2002) systematically checked chemistry and Raman peak of various majoritic garnets in diamond. They treated majoritic component as number of excess-silica than 3.0 per formula unit. However, in the basaltic system, majorite garnets also have significant amounts of Na. Na substitution is coupled with Si and Ti as follows; Na +Ti = Ca +Al (Ringwood and Lovering, 1970), Na +Si = Ca + Al (Sobolev and Labrentav, 1971; Ringwood and Major, 1971) or Na + Si = Mg + Al (Gasparik, 1989). Each component in garnet is defined as follows; Mj (majorite) component = ((Si-3)-Na)/2), NaSi (Na2MSi5O12 where M= Ca, Mg, Fe2+) component = (Na-T)/2, and NaTi component = Ti/2. Okamoto and Maruyama (2003) conducted UHP experiments in the MORB + H2O system (KNCFMATSH) at 10-19 GPa. They show that 1) Mj and NaTi component are constant and lower than 0.1 at T = 900 \\deg C, and 2) NaSi component increases drastically above 15 GPa although it is neglibly small at P<15 GPa. Raman spectra was newly analyzed using Okamoto and Maruyama (2003)'s run charges. Above 15 GPa, there is a characteristic sharp peak at 910 cm-1 and broad shoulder between 800 and 900 cm-1 as well as broad band near 960 cm-1. Gillet et at (2002) concluded that the former peak at 910cm-1 is the only reliable signature for the majoritic garnet (Si>3). They also implied that the latter two broad peaks are diagnostic feature for Ti rich garnet (> 1wt% of TiO2) as well as peak at 1030 cm-1. However, in all P range (10-19 GPa) of the present study, TiO2 is higher than 1wt%, and there is a peak at 1030 cm-1. Additional Ti-free experiment at 16 GPa, 1200 \\deg C clearly revealed that Na-bearing majoritic garnet has a significant shoulder at 800-900 cm-1. Ref; Gasparik (1989) CMP, 102,389, Gillet et al. (2002) Am.Min., 87, 312, Moore and Gurney (1985

Application of 23Na MRI to Monitor Chemotherapeutic Response in RIF-1 Tumors1

PubMed Central

Babsky, Andriy M; Hekmatyar, Shahryar K; Zhang, Hong; Solomon, James L; Bansal, Navin

2005-01-01

Abstract Effects of an alkylating anticancer drug, cyclophosphamide (Cp), on 23Na signal intensity (23Na SI) and water apparent diffusion coefficient (ADC) were examined in subcutaneously-implanted radiation-induced fibrosarcoma (RIF-1) tumors by in vivo 23Na and 1H magnetic resonance imaging (MRI). MRI experiments were performed on untreated control (n = 5) and Cp-treated (n = 6) C3H mice, once before Cp injection (300 mg/kg) then daily for 3 days after treatment. Tumor volumes were significantly lower in treated animals 2 and 3 days posttreatment. At the same time points, MRI experiments showed an increase in both 23Na SI and water ADC in treated tumors, whereas control tumors did not show any significant changes. The correlation between 23Na SI and water ADC changes was dramatically increased in the Cp-treated group, suggesting that the observed increases in 23Na SI and water ADC were caused by the same mechanism. Histologic sections showed decreased cell density in the regions of increased 23Na and water ADC SI. Destructive chemical analysis showed that Cp treatment increased the relative extracellular space and tumor [Na+]. We conclude that the changes in water ADC and 23Na SI were largely due to an increase in extracellular space. 23Na MRI and 1H water ADC measurements may provide valuable noninvasive techniques for monitoring chemotherapeutic responses. PMID:16026645

Formation of Different Si3N4 Nanostructures by Salt-Assisted Nitridation.

PubMed

Liu, Xiongzhang; Guo, Ran; Zhang, Sengjing; Li, Qingda; Saito, Genki; Yi, Xuemei; Nomura, Takahiro

2018-04-11

Silicon nitride (Si 3 N 4 ) products with different nanostructure morphologies and different phases for Si 3 N 4 ceramic with high thermal conductivity were synthesized by a direct nitriding method. NaCl and NH 4 Cl were added to raw Si powders, and the reaction was carried out under a nitrogen gas flow of 100 mL/min. The phase composition and morphologies of the products were systemically characterized by X-ray diffraction, field emission scanning electron microscopy, and high-resolution transmission electron microscopy. At 1450 °C, the NaCl content was 30 wt %, the NH 4 Cl content was 3 wt %, and the maximum α-Si 3 N 4 content was 96 wt %. The process of Si nitridation can be divided into three stages by analyzing the reaction schemes: in the first stage (25-900 °C), NH 4 Cl decomposition and the generation of stacked amorphous Si 3 N 4 occurs; in the second stage (900-1450 °C), NaCl melts and Si 3 N 4 generates; and in the third stage (>1450 °C), α-Si 3 N 4 → β-Si 3 N 4 phase change and the evaporation of NaCl occurs. The products are made of two layers: a thin upper layer of nanowires containing different nanostructures and a lower layer mainly comprising fluffy, blocky, and short needlelike products. The introduction of NaCl and NH 4 Cl facilitated the evaporation of Si powders and the decomposition of Al 2 O 3 from porcelain boat and furnace tube, which resulted in the mixing of N 2 , O 2 , Al 2 O, and Si vapors and generated Al x Si y O z nanowires with rough surfaces and lead to thin Si 3 N 4 nanowires, nanobranches by the vapor-solid (VS), vapor-liquid-solid (VLS), and the double-stage VLS base and VS tip growth mechanisms.

Enhancement emission intensity of CaMoO4 : Eu3+, Na+ phosphor via Bi co-doping and Si substitution for application to white LEDs

NASA Astrophysics Data System (ADS)

Xie, An; Yuan, Ximing; Hai, Shujie; Wang, Juanjuan; Wang, Fengxiang; Li, Liu

2009-05-01

Through the use of Bi as a co-activator and Si as a substituting element for the host lattice, red emitting Ca_{0.5}MoO_4\\,:\\,Eu^{3+}_{0.25-x} , Bi^{3+}_{x} , Na^{+}_{0.25} (x = 0, 0.005, 0.01, 0.05, 0.10, 0.15 and 0.20) and Ca_{0.5}Mo_{1-y}Si_yO_4\\,:\\,Eu^{3+}_{0.25} , Na^{+}_{0.25} (y = 0.005, 0.01, 0.02, 0.03, 0.04 and 0.05) phosphors were synthesized by the conventional solid state reaction method, respectively. The photo-luminescent results show all samples can be excited efficiently by UV (396 nm) and blue (467 nm) light and emit red light at 615 nm with line spectra, which are coupled well with the characteristic emission from UVLED and blue LED, respectively. In the Eu3+-Bi3+ co-doped system, both Eu3+ f-f transition and Bi3+ CT transition absorptions are observed in the excitation spectra, the intensities of the main emission line (5D0 → 7F2 transition of Eu3+ at 615 nm) are strengthened because of the energy transition from Bi3+ to Eu3+. The introduction of Si4+ ions did not change the position of the peaks but enhanced the emission intensity of Eu3+ under 396 nm excitations. The results showed that the optimal doping concentration of Bi3+ ions and Si4+ ions was 1 mol%, respectively.

Sintering and crystallization behavior of CaMgSi{sub 2}O{sub 6}-NaFeSi{sub 2}O{sub 6} based glass-ceramics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goel, Ashutosh; Kansal, Ishu; Dipartimento di Ingegneria dei Materiali e dell'Ambiente, Facolta di Ingegneria, Universita di Modena e Reggio Emilia, 41100 Modena

2009-11-01

We report on the synthesis, sintering, and crystallization behaviors of a glass with a composition corresponding to 90 mol % CaMgSi{sub 2}O{sub 6}-10 mol % NaFeSi{sub 2}O{sub 6}. The investigated glass composition crystallized superficially immediately after casting of the melt and needs a high cooling rate (rapid quenching) in order to produce an amorphous glass. Differential thermal analysis and hot-stage microscopy were employed to investigate the glass forming ability, sintering behavior, relative nucleation rate, and crystallization behavior of the glass composition. The crystalline phase assemblage in the glass-ceramics was studied under nonisothermal heating conditions in the temperature range of 850-950more » deg. C in both air and N{sub 2} atmosphere. X-ray diffraction studies adjoined with the Rietveld-reference intensity ratio method were employed to quantify the amount of crystalline phases, while electron microscopy was used to shed some light on the microstructure of the resultant glass-ceramics. Well sintered glass-ceramics with diopside as the primary crystalline phase were obtained where the amount of diopside varied with the heating conditions.« less

Tunable white light of a Ce3+,Tb3+,Mn2+ triply doped Na2Ca3Si2O8 phosphor for high colour-rendering white LED applications: tunable luminescence and energy transfer.

PubMed

Lü, Wei; Xu, Huawei; Huo, Jiansheng; Shao, Baiqi; Feng, Yang; Zhao, Shuang; You, Hongpeng

2017-07-18

A tunable white light emitting Na 2 Ca 3 Si 2 O 8 :Ce 3+ ,Tb 3+ ,Mn 2+ phosphor with a high color rendering index (CRI) has been prepared. Under UV excitation, Na 2 Ca 3 Si 2 O 8 :Ce 3+ phosphors present blue luminescence and exhibit a broad excitation ranging from 250 to 400 nm. When codoping Tb 3+ /Mn 2+ ions into Na 2 Ca 3 Si 2 O 8 , energy transfer from Ce 3+ to Tb 3+ and Ce 3+ to Mn 2+ ions is observed from the spectral overlap between Ce 3+ emission and Tb 3+ /Mn 2+ excitation spectra. The energy-transfer efficiencies and corresponding mechanisms are discussed in detail. The mechanism of energy transfer from Ce 3+ to Tb 3+ is demonstrated to be a dipole-quadrupole mechanism by the Inokuti-Hirayama model. The wavelength-tunable white light can be realized by coupling the emission bands centered at 440, 550 and 590 nm ascribed to the contribution from Ce 3+ , Tb 3+ and Mn 2+ , respectively. The commission on illumination value of color tunable emission can be tuned by controlling the content of Ce 3+ , Tb 3+ and Mn 2+ . Temperature-dependent luminescence spectra proved the good thermal stability of the as-prepared phosphor. White LEDs with CRI = 93.5 are finally fabricated using a 365 nm UV chip and the as-prepared Na 2 Ca 3 Si 2 O 8 :Ce 3+ ,Tb 3+ ,Mn 2+ phosphor. All the results suggest that Na 2 Ca 3 Si 2 O 8 :Ce 3+ ,Tb 3+ ,Mn 2+ can act as potential color-tunable and single-phase white emission phosphors for possible applications in UV based white LEDs.

Effect of pH and added slag on the extractability of Si in two Si-deficient sugarcane soils.

PubMed

Haynes, Richard J; Zhou, Ya-Feng

2018-02-01

The effects of increasing pH on the adsorption and extractability of Si in two Si-deficient Australian sugarcane soils was investigated and the effects of increasing rates of fertilizer Si (as blast furnace slag) on pH and extractable Si were also examined. Equilibrium studies showed that maximum adsorption of Si by the two soils occurred in the pH range 9-10. When soil pH was increased from 5.0 to 6.5, subsequent adsorption of Si by the two soils, as measured by adsorption isotherms, increased. After incubation with progressive lime additions there was a decline in CaCl 2 - extractable Si due to its increased adsorption and an increase in acid (H 2 SO 4 - and acetic acid)-extractable (mainly adsorbed) Si. The increase in acid extractable Si was greater than the decrease in CaCl 2 - extractable Si suggesting a supply from an additional source. Alkali (Na 2 CO 3 and Tiron)-extractable Si decreased greatly with increasing pH suggesting dissolution of the amorphous (mainly biogenic) pool of silica was occurring with increasing pH. When increasing rates of slag were incubated with the soils, pH, CaCl 2 - and acid- extractable Si were all increased because upon dissolution slags release both silicic acid and OH - ions. There was, therefore, a positive relationship between extractable Si and soil pH. However, Na 2 CO 3 - and Tiron-extractable Si decreased with increasing slag rates (and increasing soil pH) suggesting dissolution of the biogenic pool of soil Si. It was concluded that future research needs to examine the desorption potential of adsorbed Si and the effects of liming on dissolution of the biogenic pool of soil silica under field conditions. Copyright © 2017 Elsevier Ltd. All rights reserved.

Photoluminescence and thermal stability of yellow-emitting Na{sub 2}Ba{sub 2}Si{sub 2}O{sub 7}:Sm{sup 3+} phosphor for light-emitting diodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Jiayue, E-mail: jiayue_sun@126.com; Di, Qiumei; Cui, Dianpeng

2014-12-15

Highlights: • Na{sub 2}Ba{sub 2}Si{sub 2}O{sub 7}:Sm{sup 3+} phosphors are obtained via a solid-state reaction method. • Excitation at 402 nm, the yellow color purity is close to 100%. • The mechanism of concentration quenching is dipole–dipole interaction. • The temperature-dependent luminescence property exceed that of YAG:Ce{sup 3+}. - Abstract: A series of yellow-emitting Na{sub 2}(Ba{sub 2−x}Sm{sub x})Si{sub 2}O{sub 7} phosphors have been prepared via solid-state reaction technique. X-ray diffraction (XRD), photoluminescence (PL) spectra, temperature-dependent luminescence property, concentration quenching mechanism and luminescence lifetime are applied to characterize the obtained samples. Under 402 nm near ultraviolent excitation, the samples emit yellowmore » light and the color purity is close to 100%. The critical quenching concentration of Sm{sup 3+} in the Na{sub 2}Ba{sub 2}Si{sub 2}O{sub 7} host is about 3.6 mol% and corresponding quenching behavior is ascribed to be electric dipole–dipole interaction. Furthermore, the phosphor has good thermal stability property, superior to the commercial yellow Y{sub 3}Al{sub 5}O{sub 12}:Ce{sup 3+} phosphor and the activation energy for thermal quenching is calculated as 0.18 eV.« less

Room temperature solvent-free reduction of SiCl4 to nano-Si for high-performance Li-ion batteries.

PubMed

Liu, Zhiliang; Chang, Xinghua; Sun, Bingxue; Yang, Sungjin; Zheng, Jie; Li, Xingguo

2017-06-06

SiCl 4 can be directly reduced to nano-Si with commercial Na metal under solvent-free conditions by mechanical milling. Crystalline nano-Si with an average size of 25 nm and quite uniform size distribution can be obtained, which shows excellent lithium storage performance, for a high reversible capacity of 1600 mA h g -1 after 500 cycles at 2.1 A g -1 .

Skeletal reactions of n-hexane over Pt-NaY, Pt/SiO{sub 2}, HY, and mixed Pt/SiO{sub 2} + HY catalysts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paal, Z.; Zhan, Z.; Manninger, I.

The activity and selectivity of three samples of 8% Pt-NaY calcined at 633, 723, and 823 K, respectively, have been probed with n-hexane as the model reactant at 603 K and subatmospheric pressures in a glass closed-loop reactor. These catalysts were compared with 6.3% Pt/SiO{sub 2} (EUROPT-1), HY, and a physical mixture of the latter two. The activity of all Pt-NaY catalysts is superior to EUROPT-1 and they deactivate more slowly. The selectivity pattern of all Pt-NaY samples is closer to that characteristic of monofunctional Pt catalysts, as opposed to the pronounced acidic character of pure HY and the mechanicalmore » mixtures. The sample calcined at 633 K, which has the highest dispersion and probably contains Pt particles anchored to the support as [Pt{sub n} - H{sub x}]{sup x+} entities, shows the highest aromatization selectivity. The sample precalcined at 823 K with the lowest dispersion has a pronouncedly high skeletal isomerization selectivity. The isomerization pathway may be related to the C{sub 5} cyclic route on metal sites that are more abundant on the larger crystallites of this catalyst and are more easily accessible with its partially collapsed zeolite framework. Characteristic differences between samples in the response of their catalytic performance to changes in hydrogen and hydrocarbon pressure are discussed. 37 refs., 5 figs., 4 tabs.« less

Hot corrosion attack and strength degradation of SiC and Si(sub)3N(sub)4

NASA Technical Reports Server (NTRS)

Smialek, James L.; Fox, Dennis S.; Jacobson, Nathan S.

1987-01-01

Thin films of Na2SO4 and Na2CO3 molten salt deposits were used to corrode sintered SiC and Si3N4 at 1000 C. The resulting attack produced pitting and grain boundary etching resulting in strength decreases ranging from 15 to 50 percent. Corrosion pits were the predominant sources of fracture. The degree of strength decrease was found to be roughly correlated with the depth of the pit, as predicted from fracture toughness considerations. Gas evolution and bubble formation were key aspects of pit formation. Many of the observations of furnace exposures held true in a more realistic burner rig test.

Pressure induced elastic softening in framework aluminosilicate- albite (NaAlSi 3O 8)

DOE PAGES

Mookherjee, Mainak; Mainprice, David; Maheshwari, Ketan; ...

2016-10-13

Albite (NaAlSi 3O 8) is an aluminosilicate mineral. Its crystal structure consists of 3-D framework of Al and Si tetrahedral units. We have used Density Functional Theory to investigate the high-pressure behavior of the crystal structure and how it affects the elasticity of albite. Our results indicate elastic softening between 6–8 GPa. This is observed in all the individual elastic stiffness components. Our analysis indicates that the softening is due to the response of the three-dimensional tetrahedral framework, in particular by the pressure dependent changes in the tetrahedral tilts. At pressure <6 GPa, the PAW-GGA can be described by amore » Birch-Murnaghan equation of state with V GGA 0 = 687.4Å 3, K GGA 0 = 51.7 GPa, and G GGA 0 = 4.7. The shear modulus and its pressure derivative are K ⊕GGA 0 = 33.7 GPa, and G ⊕GGA 0 = 2.9. At 1 bar, the azimuthal compressional and shear wave anisotropy AV GGA P = 42.8%, and AV GGA S = 50.1%. We also investigate the densification of albite to a mixture of jadeite and quartz. The transformation is likely to cause a discontinuity in density, compressional, and shear wave velocity across the crust and mantle. Furthermore, this could partially account for the Mohorovicic discontinuity in thickened continental crustal regions.« less

The corrosion behavior of CVI SiC matrix in SiCf/SiC composites under molten fluoride salt environment

NASA Astrophysics Data System (ADS)

Wang, Hongda; Feng, Qian; Wang, Zhen; Zhou, Haijun; Kan, Yanmei; Hu, Jianbao; Dong, Shaoming

2017-04-01

High temperature corrosion behavior and microstructural evolution of designed chemical-vapor-infiltrated SiC matrix in SiC fiber reinforced SiC ceramic matrix composites in 46.5LiF-11.5NaF-42.0KF (mol. %) eutectic salt at 800 °C for various corrosion time was studied. Worse damage was observed as extending the exposure time, with the mass loss ratio increasing from 0.716 wt. % for 50 h to 5.914 wt. % for 500 h. The mass loss rate showed a trend of first decrease and then increase with the extended corrosion exposure. Compared with the near-stoichiometric SiC matrix layers, the O-contained boundaries between deposited matrix layers and the designed Si-rich SiC matrix layers were much less corrosion resistant and preferentially corroded. Liner relationship between the mass loss ratio and the corrosion time obtained from 50 h to 300 h indicated that the corrosion action was reaction-control process. Further corrosion would lead to matrix layer exfoliation and higher mass loss ratio.

Kinetics and mechanism of corrosion of SiC by molten salts

NASA Technical Reports Server (NTRS)

Jacobson, N. S.

1986-01-01

Corrosion of sintered alpha-SiC under thin films of Na2CO3/CO2, Na2SO4/O2, and Na2SO4/SO3 was investigated at 1000 C. Chemical analysis was used to follow silicate and silica evolution as a function of time. This information coupled with morphology observations leads to a detailed corrosion mechanism. In all cases the corrosion reactions occur primarily in the first few hours. In the Na2CO3/CO2 case, rapid oxidation and dissolution lead to a thick layer of silicate melt in about 0.25 h. After this, silica forms a protective layer on the carbide. In the Na2SO4/O2 case, a similar mechanism occurs. In the Na2SO4/SO3 case, a porous nonprotective layer of SiO2 grows directly on the carbide, and a silicate melt forms above this. In addition, SiO2 and regenerated Na2SO4 form at the melt/gas interface due to reaction of silicate with SO3 and SO2 + O2. The reaction slows when the lower silica layer becomes nonporous.

First Measurements of Time-Dependent Nucleation as a Function of Composition in Na2O.2CaO.3SiO2 Glasses

NASA Technical Reports Server (NTRS)

Kelton, K. F.; Narayan, K. Lakshmi

1996-01-01

The first measurements in any system of the composition dependence of the time-dependent nucleation rate are presented Nucleation rates of the stoichiometric crystalline phase, Na2O.2CaO.3SiO2, from quenched glasses made with different SiO2 concentrations were determined as a function of temperature and glass composition. A strong compositional dependence of the nucleation rates and a weak dependence for the induction times are observed. Using measured values of the liquidus temperatures and growth velocities as a function of glass composition, these data are shown to be consistent with predictions from the classical theory of nucleation, assuming a composition-dependent interfacial energy.

Cesium and strontium ion exchange on the framework titanium silicate M2Ti2O3SiO4.nH2O (M = H, Na).

PubMed

Solbrå, S; Allison, N; Waite, S; Mikhalovsky, S V; Bortun, A I; Bortun, L N; Clearfield, A

2001-02-01

The ion exchange properties of the titanium silicate, M2Ti2O3SiO4.nH2O (M = H, Na), toward stable and radioactive 137Cs+ and 89Sr2+, have been examined. By studying the cesium and strontium uptake in the presence of NaNO3, CaCl2, NaOH, and HNO3 (in the range of 0.01-6 M) the sodium titanium silicate was found to be an efficient Cs+ ion exchanger in acid, neutral, and alkaline media and an efficient Sr2+ ion exchanger in neutral and alkaline media, which makes it promising for treatment of contaminated environmental media and biological systems.

Arizona porphyry copper/hydrothermal deposits II: crystal structure of ajoite, (K + Na)3Cu20Al3Si29O76(OH)16*~8H2O.

PubMed

Pluth, Joseph J; Smith, Joseph V

2002-08-20

A crystal from the type locality Ajo, AZ, yielded just enough intensity from streaked diffractions using synchrotron x-rays at the Advanced Photon Source to solve the crystal structure with composition (K + Na)3Cu20Al3Si29O76(OH)16* approximately 8H2O; triclinic, P1, a = 13.634(5) A, b = 13.687(7), c = 14.522(7), alpha = 110.83(1) degrees, beta = 107.21(1), gamma = 105.68(1); refined to a final R = 12.5%. Electron microprobe analysis yielded a similar chemical composition that is slightly different from the combined chemical and electron microprobe analyses in the literature. The ajoite structure can be described as a zeolitic octahedral-tetrahedral framework that combines the alternate stacking of edge-sharing octahedral CuO6 layers and curved aluminosilicate layers and strings. Channels bounded by elliptical 12-rings and circular 8-rings of tetrahedra contain (K and Na) ions and water. The Al atoms occupy some of the Si tetrahedral sites. Each Cu atom has near-planar bonds to four oxygen atoms plus two longer distances that generate a distorted octahedron. Valence bond estimates indicate that 8 oxygen atoms of 46 are hydroxyl. Only one alkali atom was located in distorted octahedral coordination, and electron microprobe analyses indicate K and Na as major substituents. The water from chemical analysis presumably occurs as disordered molecules of zeolitic type not giving electron density from diffraction. The high R factor results from structural disorder and many weak intensities close to detection level. The crystal chemistry is compared with shattuckite, Cu5(SiO3)4(OH)2, and planchéite, Cu8Si8O22(OH)4.H2O, both found in oxidized copper deposits of Arizona but only the former directly with ajoite.

First-principles study of amorphous carbon: a promising candidate for Na-ion batteries

NASA Astrophysics Data System (ADS)

Kotsis, Konstantinos; Legrain, Fleur; Manzhos, Sergei

2015-03-01

The perspective of a widespread use of clean but intermittent sources of electricity (wind and solar) as well as that of hybrid electric vehicles calls for alternatives to Li-ion batteries as Li resources are limited. Na being abundant, cheap, and a relatively light and small atom, Na-ion batteries have attracted a lot of interest the past few years. However, while most of the Na-ion batteries studies focus on the positive electrode, the negative electrode remains little investigated and an efficient anode providing all a good capacity, a high cycle life, and a descent rate of charge/discharge, is still not available. The efficient electrode materials for Li, in particular diamond Si and graphite C, have been shown to not allow the intercalation of Na [1, 2]. Computational studies report positive intercalation energies [3, 4] and therefore suggest that the insertion of Na into the crystalline framework (C and Si) is thermodynamically not favored: Na atoms prefer to gather into Na clusters rather than to intercalate into the crystalline phase. Amorphization of Si was found to be a valid strategy to improve the interaction between Si and Na [3]. We investigate here the effects of amorphization of C on its storage properties vis-à-vis Na (as well as Li for reference).

Recrystallization in Si upon ion irradiation at room temperature in Co/Si(111) thin film systems

NASA Astrophysics Data System (ADS)

Banu, Nasrin; Satpati, B.; Dev, B. N.

2018-04-01

After several decades of research it was concluded that for a constant flux recrystallization in Si upon ion irradiation is possible only at high temperature. At low temperature or at room temperature only amorphization can take place. However we have observed recrystallization in Si upon ion irradiation at room temperature in a Co/Si thin film system. The Co/Si sample was prepared by deposition of 25 nm Co on clean Si(111) substrate. An oxide layer (˜ 2nm) of cobalt at the top of the film due to air exposure. The ion irradiation was done at room temperature under high vacuum with 1MeV Si+ ion with low beam current < 400 nA. Earlier we have shown similar ion induced recrystallization in Si(100) substrate which had a sandwich Si/Ni/Si structure. This system had an epitaxial buffer Si layer on Si substrate. This study also shows that the phenomenon is independent of substrate orientation and buffer layer. We have used transmission electron microscopy (TEM) to study the recrystallization behavior.

Oxide-Based Composite Electrolytes Using Na3Zr2Si2PO12/Na3PS4 Interfacial Ion Transfer.

PubMed

Noi, Kousuke; Nagata, Yuka; Hakari, Takashi; Suzuki, Kenji; Yubuchi, So; Ito, Yusuke; Sakuda, Atsushi; Hayashi, Akitoshi; Tatsumisago, Masahiro

2018-05-31

All-solid-state sodium batteries using Na 3 Zr 2 Si 2 PO 12 (NASICON) solid electrolytes are promising candidates for safe and low-cost advanced rechargeable battery systems. Although NASICON electrolytes have intrinsically high sodium-ion conductivities, their high sintering temperatures interfere with the immediate development of high-performance batteries. In this work, sintering-free NASICON-based composites with Na 3 PS 4 (NPS) glass ceramics were prepared to combine the high grain-bulk conductivity of NASICON and the interfacial formation ability of NPS. Before the composite preparation, the NASICON/NPS interfacial resistance was investigated by modeling the interface between the NASICON sintered ceramic and the NPS glass thin film. The interfacial ion-transfer resistance was very small above room temperature; the area-specific resistances at 25 and 100 °C were 15.8 and 0.40 Ω cm 2 , respectively. On the basis of this smooth ion transfer, NASICON-rich (70-90 wt %) NASICON-NPS composite powders were prepared by ball-milling fine powders of each component. The composite powders were well-densified by pressing at room temperature. Scanning electron microscopy observation showed highly dispersed sub-micrometer NASICON grains in a dense NPS matrix to form closed interfaces between the oxide and sulfide solid electrolytes. The composite green (unfired) compacts with 70 and 80 wt % NASICON exhibited high total conductivities at 100 °C of 1.1 × 10 -3 and 6.8 × 10 -4 S cm -1 , respectively. An all-solid-state Na 15 Sn 4 /TiS 2 cell was constructed using the 70 wt % NASICON composite electrolyte by the uniaxial pressing of the powder materials, and its discharge properties were evaluated at 100 °C. The cell showed the reversible capacities of about 120 mAh g -1 under the current density of 640 μA cm -2 . The prepared oxide-based composite electrolytes were thus successfully applied in all-solid-state sodium rechargeable batteries without sintering.

Bismuth-Indium-Sodium two-dimensional compounds on Si(111) surface

NASA Astrophysics Data System (ADS)

Denisov, N. V.; Alekseev, A. A.; Utas, O. A.; Azatyan, S. G.; Zotov, A. V.; Saranin, A. A.

2017-12-01

Using scanning tunneling microscopy (STM) observations, it has been found that room temperature (RT) deposition of Na onto the (Bi,In)/Si(111) surfaces, namely the 2 × 2 and √7 × √7, induces formation of a joint bismuth-indium-sodium structure without changing of the initial periodicity. For the 2 × 2-(Bi,In), Na atoms ;conceal; defects and domain boundaries, while the √7 × √7-(Bi,In) is reconstructed into the new Si(111)√7 × √7-(Bi,In,Na) structure. The first structure is temperature unstable, but the √7 × √7-(Bi,In,Na) is thermostable and can be formed by ordinary codeposition of the metals onto the Si(111)7 × 7 surface followed by annealing at 350-360 °C. Scanning tunneling spectroscopy (STS) has demonstrated that the √7 × √7-(Bi,In,Na) is semiconductor with a ∼0.5 eV energy gap. The structural model of the √7 × √7-(Bi,In,Na) has been proposed on the basis of DFT calculations and comparison of simulated and experimental STM images as well as density of states (DOS) and STS spectra.

Oxidation and hot corrosion of hot-pressed Si3N4 at 1000 deg C

NASA Technical Reports Server (NTRS)

Fielder, W. L.

1985-01-01

The oxidation and hot corrosion of a commercial, hot-pressed Si3N4 were investigated at 1000 C under an atmosphere of flowing O2. For the hot corrosion studies, thin films of Na2SO4 were airbrushed on the Si3N4 surface. The hot corrosion attack was monitored by the following techniques: continuous weight measurements, SO2 evolution, film morphology, and chemical analyses. Even though the hot corrosion weight changes after 25 hr were relatively small, the formation of SiO2 from oxidation of Si3N4 was an order of magnitude greater in the presence of molten Na2SO4. The formation of a protective SiO2 phase at the Si3N4 surface is minimized by the fluxing action of the molten Na2SO4 thereby allowing the oxidation of the Si3N4 to proceed more rapidly. A simple process is proposed to account for the hot corrosion process.

Syntheses and structural characterization of non-centrosymmetric Na{sub 2}M{sub 2}M'S{sub 6} (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yohannan, Jinu P.; Vidyasagar, Kanamaluru, E-mail: kvsagar@iitm.ac.in

Seven new non-centrosymmetric Na{sub 2}M{sub 2}M’S{sub 6} sulfides, namely, Na{sub 2}Sn{sub 2}ZnS{sub 6}(1){sub ,} Na{sub 2}Ga{sub 2}GeS{sub 6}(2), Na{sub 2}Ga{sub 2}SnS{sub 6}(3-α), Na{sub 2}Ga{sub 2}SnS{sub 6}(3-β){sub ,} Na{sub 2}Ge{sub 2}ZnS{sub 6}(4){sub ,} Na{sub 2}Ge{sub 2}CdS{sub 6}(5){sub ,} Na{sub 2}In{sub 2}SiS{sub 6}(6) and Na{sub 2}In{sub 2}GeS{sub 6}(7), were synthesized by high temperature solid state reactions and structurally characterized by single crystal X-ray diffraction. They crystallize in non-centrosymmetric Fdd2 and Cc space groups and their three-dimensional [M{sub 2}M′S{sub 6}]{sup 2-}framework structures consist of MS{sub 4} and M′S{sub 4} tetrahedra corner-connected to one another in either orderly or disordered fashion. Sodium ions residemore » in the tunnels of the anionic framework. Compounds 1, 2 and 3-α have the structure of known Li{sub 2}Ga{sub 2}GeS{sub 6}, whereas compounds 6 and 7 are isostructural with known Li{sub 2}In{sub 2}GeS{sub 6} compound. Isostructural compounds 4 and 5 represent a new structural variant. Compounds 3-α and its new monoclinic structural variant 3-β have disordered structural framework. All of them are wide band gap semiconductors. Na{sub 2}Ga{sub 2}GeS{sub 6}(2), Na{sub 2}Ga{sub 2}SnS{sub 6}(3), Na{sub 2}Ge{sub 2}ZnS{sub 6}(4) and Na{sub 2}In{sub 2}GeS{sub 6}(7) compounds are found to be second-harmonic generation (SHG) active. Compounds 1, 2 and 3-α melt congruently. - Graphical abstract: Na{sub 2}Ga{sub 2}GeS{sub 6}, Na{sub 2}Ga{sub 2}SnS{sub 6}, Na{sub 2}Ge{sub 2}ZnS{sub 6}, Na{sub 2}In{sub 2}GeS{sub 6}, Na{sub 2}Sn{sub 2}ZnS{sub 6}, Na{sub 2}Ge{sub 2}CdS{sub 6} and Na{sub 2}In{sub 2}SiS{sub 6} have non-centrosymmetric structures and the first four compounds are SHG active. Display Omitted - Highlights: • Seven new Na{sub 2}M{sub 2}M′S{sub 6} compounds with non-centrosymmetric structures were synthesized. • They are wide band gap semiconductors. • Na{sub 2}Ga{sub 2}GeS{sub 6

Investigating the influence of Na+ and Sr2+ on the structure and solubility of SiO2-TiO2-CaO-Na2O/SrO bioactive glass.

PubMed

Li, Y; Placek, L M; Coughlan, A; Laffir, F R; Pradhan, D; Mellott, N P; Wren, A W

2015-02-01

This study was conducted to determine the influence that network modifiers, sodium (Na+) and strontium (Sr2+), have on the solubility of a SiO2-TiO2-CaO-Na2O/SrO bioactive glass. Glass characterization determined each composition had a similar structure, i.e. bridging to non-bridging oxygen ratio determined by X-ray photoelectron spectroscopy. Magic angle spinning nuclear magnetic resonance (MAS-NMR) confirmed structural similarities as each glass presented spectral shifts between -84 and -85 ppm. Differential thermal analysis and hardness testing revealed higher glass transition temperatures (Tg 591-760 °C) and hardness values (2.4-6.1 GPa) for the Sr2+ containing glasses. Additionally the Sr2+ (~250 mg/L) containing glasses displayed much lower ion release rates than the Na+ (~1,200 mg/L) containing glass analogues. With the reduction in ion release there was an associated reduction in solution pH. Cytotoxicity and cell adhesion studies were conducted using MC3T3 Osteoblasts. Each glass did not significantly reduce cell numbers and osteoblasts were found to adhere to each glass surface.

Highly Corrosion Resistant and Sandwich-like Si3N4/Cr-CrNx/Si3N4 Coatings Used for Solar Selective Absorbing Applications.

PubMed

Zhang, Ke; Du, Miao; Haoa, Lei; Meng, Jianping; Wang, Jining; Mi, Jing; Liu, Xiaopeng

2016-12-14

Highly corrosion resistant, layer-by-layer nanostructured Si 3 N 4 /Cr-CrN x /Si 3 N 4 coatings were deposited on aluminum substrate by DC/RF magnetron sputtering. Corrosion resistance experiments were performed in 0.5, 1.0, 3.0, and 5.0 wt % NaCl salt spray at 35 °C for 168 h. Properties of the coatings were comprehensively investigated in terms of optical property, surface morphology, microstructure, elemental valence state, element distribution, and potentiodynamic polarization. UV-vis-near-IR spectrophotometer and FTIR measurements show that the change process in optical properties of Si 3 N 4 /Cr-CrN x /Si 3 N 4 /Al coatings can be divided into three stages: a rapid active degradation stage, a steady passivation stage, and a transpassivation degradation stage. With the increase in the concentration of NaCl salt spray, solar absorptance and thermal emittance experienced a slight degradation. SEM images reveal that there is an increase in surface defects, such as microcracks and holes and -cracks. XRD and TEM measurements indicate that the phase structure changed partially and the content of CrO x and Al 2 O 3 has increased. Auger electron spectroscopy shows that the elements of Cr, N, and O have undergone a minor diffusion. Electrochemical polarization curves show that the as-deposited Si 3 N 4 /Cr-CrN x /Si 3 N 4 /Al coatings have excellent corrosion resistance of 3633.858 kΩ, while after corroding in 5.0 wt % NaCl salt spray for 168 h the corrosion resistance dropped to 13.759 kΩ. However, these coatings still have an outstanding performance of high solar absorptance of 0.924 and low thermal emittance of 0.090 after corroding in 3.0 wt % NaCl salt spray for 120 h. Thus, the Si 3 N 4 /Cr-CrN x /Si 3 N 4 /Al coating is a good choice for solar absorber coatings applied in the high-saline environment.

Siudaite, Na8(Mn2+ 2Na)Ca6Fe3+ 3Zr3NbSi25O74(OH)2Cl·5H2O: a new eudialyte-group mineral from the Khibiny alkaline massif, Kola Peninsula

NASA Astrophysics Data System (ADS)

Chukanov, Nikita V.; Rastsvetaeva, Ramiza K.; Kruszewski, Łukasz; Aksenov, Sergey M.; Rusakov, Vyacheslav S.; Britvin, Sergey N.; Vozchikova, Svetlana A.

2018-03-01

The new eudialyte-group mineral siudaite, ideally Na8(Mn2+ 2Na)Ca6Fe3+ 3Zr3NbSi25O74(OH)2Cl·5H2O, was discovered in a peralkaline pegmatite situated at the Eveslogchorr Mt., Khibiny alkaline massif, Kola Peninsula, Russia. The associated minerals are aegirine, albite, microcline, nepheline, astrophyllite, and loparite-(Ce). Siudaite forms yellow to brownish-yellow equant anhedral grains up to 1.5 cm across. Its lustre is vitreous, and the streak is white. Cleavage is none observed. The Mohs' hardness is 4½. Density measured by hydrostatic weighing is 2.96(1) g/cm3. Density calculated using the empirical formula is equal to 2.973 g/cm3. Siudaite is nonpleochroic, optically uniaxial, negative, with ω = 1.635(1) and ɛ = 1.626(1) (λ = 589 nm). The IR spectrum is given. The chemical composition of siudaite is (wt%; electron microprobe, H2O determined by HCN analysis): Na2O 8.40, K2O 0.62, CaO 9.81, La2O3 1.03, Ce2O3 1.62, Pr2O3 0.21, Nd2O3 0.29, MnO 6.45, Fe2O3 4.51. TiO2 0.54, ZrO2 11.67, HfO2 0.29, Nb2O5 2.76, SiO2 47.20, Cl 0.54, H2O 3.5, -O = Cl - 0.12, total 99.32. According to Mössbauer spectroscopy data, all iron is trivalent. The empirical formula (based on 24.5 Si atoms pfu, in accordance with structural data) is [Na7.57(H2O)1.43]Σ9(Mn1.11Na0.88Ce0.31La0.20Nd0.05Pr0.04K0.41)Σ3(H2O)1.8(Ca5.46Mn0.54)Σ6(Fe3+ 1.76Mn2+ 1.19)Σ2.95Nb0.65(Ti0.20Si0.50)Σ0.71(Zr2.95Hf0.04Ti0.01)Σ3Si24.00Cl0.47O70(OH)2Cl0.47·1.82H2O. The crystal structure was determined using single-crystal X-ray diffraction data. The new mineral is trigonal, space group R3m, with a = 14.1885(26) Å, c = 29.831(7) Å, V = 5200.8(23) Å3 and Z = 3. Siudaite is chemically related to georgbarsanovite and is its analogue with Fe3+-dominant M2 site. The strongest lines of the powder X-ray diffraction pattern [d, Å (I, %) (hkl)] are: 6.38 (60) (-114), 4.29 (55) (-225), 3.389 (47) (131), 3.191 (63) (-228). 2.963 (100) (4-15), 2.843 (99) (-444), 2.577 (49) (3-39). Siudaite is named after the Polish

Davinciite, Na12K3Ca6Fe{3/2+}Zr3(Si26O73OH)Cl2, a New K,Na-Ordered mineral of the eudialyte group from the Khibiny Alkaline Pluton, Kola Peninsula, Russia

NASA Astrophysics Data System (ADS)

Khomyakov, A. P.; Nechelyustov, G. N.; Rastsvetaeva, R. K.; Rozenberg, K. A.

2013-12-01

This paper presents a description of a new zirconosilicate of the eudialyte group, which was named davinciite in honor of Leonardo da Vinci (1452-1519), a famous Italian scientist, painter, sculptor and architect. The new mineral has been found in hyperagpaitic pegmatite at the Rasvumchorr Mountain, Khibiny Pluton, Kola Peninsula, as relict inclusions, up to 1-2 mm in size in a rastsvetaevite matrix. It is associated with nepheline, sodalite, potassium feldspar, delhayelite, aegirine, shcherbakovite, villiaumite, nitrite, nacaphite, rasvumite, and djerfisherite. Davinciite is dark lavender and transparent, with a vitreous luster and white streak. The new mineral is brittle, with conchoidal fracture; the Mohs' hardness is 5. No indications of cleavage or parting were observed. The measured density is 2.82(2) g/cm3 (volumetric method); the calculated density is 2.848 g/cm3. Davinciite is optically uniaxial, positive; ω = 1.603(2), ɛ = 1.605(2). It is nonpleochroic and nonfluorescent in UV light. The new mineral slowly breaks down and gelates in 50% HCl and HNO3. It is trigonal, space group R3m. The unit-cell dimensions are a = 14.2956(2), c = 30.0228(5) Å, V=5313.6(2) Å3. The strongest reflections in the X-ray powder diffraction pattern [ d, Å ( I, %) ( hkl)] are as follows: 2.981(100)(315), 2.860(96)(404), 4.309(66)(205), 3.207(63)(208), 6.415(54)(104), 3.162(43)(217). The chemical composition (electron microprobe, H2O calculated from X-ray diffraction data) is as follows, wt %: 12.69 Na2O, 3.53 K2O, 11.02 CaO, 0.98 SrO, 0.15 BaO, 5.33 FeO, 0.37 MnO, 0.07 Al2O3, 51.20 SiO2, 0.39 TiO2, 11.33 ZrO2, 0.21HfO2, 0.09 Nb2O5, 1.89 Cl, 0.93H2O, -O = Cl2 0.43; total is 99.75. The empirical formula calculated on the basis of Si + Al + Zr + Hf + Ti + Nb = 29 ( Z = 3) is (Na1l.75Sr0.29Ba0.03)Σ12.07(K2.28Na0.72)Σ3Ca5.99(Fe2.26Mn0.16)Σ2.42(Zr2.80Ti0.15Hf0.03Nb0.02) Σ3(Si1.96Al0.04)Σ2[Si3O9]2 [Si9O27]2[(OH)1.42O0.58]Σ2[Cl1.62(H2O)0.38]Σ2 · 0.48H2O. The simplified

Scalable Synthesis of Defect Abundant Si Nanorods for High-Performance Li-Ion Battery Anodes.

PubMed

Wang, Jing; Meng, Xiangcai; Fan, Xiulin; Zhang, Wenbo; Zhang, Hongyong; Wang, Chunsheng

2015-06-23

Microsized nanostructured silicon-carbon composite is a promising anode material for high energy Li-ion batteries. However, large-scale synthesis of high-performance nano-Si materials at a low cost still remains a significant challenge. We report a scalable low cost method to synthesize Al/Na-doped and defect-abundant Si nanorods that have excellent electrochemical performance with high first-cycle Coulombic efficiency (90%). The unique Si nanorods are synthesized by acid etching the refined and rapidly solidified eutectic Al-Si ingot. To maintain the high electronic conductivity, a thin layer of carbon is then coated on the Si nanorods by carbonization of self-polymerized polydopamine (PDA) at 800 °C. The carbon coated Si nanorods (Si@C) electrode at 0.9 mg cm(-2) loading (corresponding to area-specific-capacity of ∼2.0 mAh cm(-2)) exhibits a reversible capacity of ∼2200 mAh g(-1) at 100 mA g(-1) current, and maintains ∼700 mAh g(-1) over 1000 cycles at 1000 mA g(-1) with a capacity decay rate of 0.02% per cycle. High Coulombic efficiencies of 87% in the first cycle and ∼99.7% after 5 cycles are achieved due to the formation of an artificial Al2O3 solid electrolyte interphase (SEI) on the Si surface, and the low surface area (31 m(2) g(-1)), which has never been reported before for nano-Si anodes. The excellent electrochemical performance results from the massive defects (twins, stacking faults, dislocations) and Al/Na doping in Si nanorods induced by rapid solidification and Na salt modifications; this greatly enhances the robustness of Si from the volume changes and alleviates the mechanical stress/strain of the Si nanorods during the lithium insertion/extraction process. Introducing massive defects and Al/Na doping in eutectic Si nanorods for Li-ion battery anodes is unexplored territory. We venture this uncharted territory to commercialize this nanostructured Si anode for the next generation of Li-ion batteries.

New tetragonal derivatives of cubic NaZn13-type structure: RNi6Si6 compounds, crystal structure and magnetic ordering (R=Y, La, Ce, Sm, Gd-Yb)

NASA Astrophysics Data System (ADS)

Pani, M.; Manfrinetti, P.; Provino, A.; Yuan, Fang; Mozharivskyj, Y.; Morozkin, A. V.; Knotko, A. V.; Garshev, A. V.; Yapaskurt, V. O.; Isnard, O.

2014-02-01

Novel RNi6Si6 compounds adopt the new CeNi6Si6-type structure for R=La-Ce (tP52, space group P4/nbm N 125-1) and new YNi6Si6-type structure for R=Y, Sm, Gd-Yb (tP52, space group P4barb2N 117) that are tetragonal derivative of NaZn13-type structure, like LaCo9Si4-type. The CeNi6Si6, GdNi6Si6, TbNi6Si6, DyNi6Si6 and HoNi6Si6 compounds are Curie-Weiss paramagnets down to ~30 K, and do not order magnetically down to 5 K. However, the inverse paramagnetic susceptibility of LaNi6Si6 does not follow Curie-Weiss law. The DyNi6Si6 shows ferromagnetic-like saturation behaviour at 5 K in applied fields of 50 kOe, giving rise to a magnetic moment value of 6.5 μB/f.u. in 50 kOe. The powder neutron diffraction study in zero applied filed indicates square modulated the c-collinear antiferromagnetic ordering of TbNi6Si6 with K=[±1/4, ±1/4, 0] wave vector below ~10 K. The CeNi6Si6, GdNi6Si6, TbNi6Si6, DyNi6Si6 and HoNi6Si6 compounds are Curie-Weiss paramagnets down to ~30 K, and do not order magnetically down to 4.2 K. The powder neutron diffraction study in zero applied filed indicates square modulated the c-collinear antiferromagnetic ordering of TbNi6Si6 with K=[±1/4, ±1/4, 0] wave vector below ~10 K.

Fe3O4/SiO2-g-PSStNa polymer nanocomposite microspheres (PNCMs) from a surface-initiated atom transfer radical polymerization (SI-ATRP) approach for pectinase immobilization.

PubMed

Lei, Zhongli; Ren, Na; Li, Yanli; Li, Na; Mu, Bo

2009-02-25

Polymer nanocomposite microspheres (PNCMs) as solid supports can improve the efficiency of immobilized enzymes by reducing diffusional limitation as well as by increasing the surface area per mass unit. In this work, pectinase was immobilized on Fe(3)O(4)/SiO2-g-poly(PSStNa) nanocomposite microspheres by covalent attachment. Biochemical studies showed an improved storage stability of the immobilized pectinase as well as enhanced performance at higher temperatures and over a wider pH range. The immobilized enzyme retained >50% of its initial activity over 30 days, and the optimum temperature and pH also increased to the ranges of 50-60 degrees C and 3.0-4.7, respectively. The kinetics of a model reaction catalyzed by the immobilized pectinase was finally investigated by the Michaelis-Menten equation. The PSStNa support presents a very simple, mild, and time-saving process for enzyme immobilization, and this strategy of immobilizing pectinase also makes use of expensive enzymes economically viable, strengthening repeated use of them as catalysts following their rapid and easy separation with a magnet.

New tetragonal derivatives of cubic NaZn{sub 13}-type structure: RNi{sub 6}Si{sub 6} compounds, crystal structure and magnetic ordering (R=Y, La, Ce, Sm, Gd–Yb)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pani, M.; Manfrinetti, P.; Provino, A.

2014-02-15

Novel RNi{sub 6}Si{sub 6} compounds adopt the new CeNi{sub 6}Si{sub 6}-type structure for R=La–Ce (tP52, space group P4/nbm N 125-1) and new YNi{sub 6}Si{sub 6}-type structure for R=Y, Sm, Gd–Yb (tP52, space group P4{sup ¯}b2N 117) that are tetragonal derivative of NaZn{sub 13}-type structure, like LaCo{sub 9}Si{sub 4}-type. The CeNi{sub 6}Si{sub 6}, GdNi{sub 6}Si{sub 6}, TbNi{sub 6}Si{sub 6}, DyNi{sub 6}Si{sub 6} and HoNi{sub 6}Si{sub 6} compounds are Curie–Weiss paramagnets down to ∼30 K, and do not order magnetically down to 5 K. However, the inverse paramagnetic susceptibility of LaNi{sub 6}Si{sub 6} does not follow Curie–Weiss law. The DyNi{sub 6}Si{sub 6}more » shows ferromagnetic-like saturation behaviour at 5 K in applied fields of 50 kOe, giving rise to a magnetic moment value of 6.5 μ{sub B}/f.u. in 50 kOe. The powder neutron diffraction study in zero applied filed indicates square modulated the c-collinear antiferromagnetic ordering of TbNi{sub 6}Si{sub 6} with K=[±1/4, ±1/4, 0] wave vector below ∼10 K. - Graphical abstract: Novel (La, Ce)Ni{sub 6}Si{sub 6} compounds adopt the new CeNi{sub 6}Si{sub 6}-type structure and (Y, Sm, Gd–Yb) adopt the new YNi{sub 6}Si{sub 6}-type structure that are tetragonal derivative of NaZn{sub 13}-type structure, like LaCo{sub 9}Si{sub 4}-type. The CeNi{sub 6}Si{sub 6}, GdNi{sub 6}Si{sub 6}, TbNi{sub 6}Si{sub 6}, DyNi{sub 6}Si{sub 6} and HoNi{sub 6}Si{sub 6} compounds are Curie–Weiss paramagnets down to ∼30 K, and do not order magnetically down to 4.2 K. The powder neutron diffraction study in zero applied filed indicates square modulated the c-collinear antiferromagnetic ordering of TbNi{sub 6}Si{sub 6} with K=[±1/4, ±1/4, 0] wave vector below ∼10 K. Display Omitted - Highlights: • The new (La, Ce)Ni{sub 6}Si{sub 6} compounds adopt the new CeNi{sub 6}Si{sub 6}-type structure. • The new (Y, Sm, Gd–Yb)Ni{sub 6}Si{sub 6} compounds adopt the new YNi{sub 6}Si{sub 6}-type structure. • Tb

Arizona porphyry copper/hydrothermal deposits II: Crystal structure of ajoite, (K + Na)3Cu20Al3Si29O76(OH)16⋅∼8H2O

PubMed Central

Pluth, Joseph J.; Smith, Joseph V.

2002-01-01

A crystal from the type locality Ajo, AZ, yielded just enough intensity from streaked diffractions using synchrotron x-rays at the Advanced Photon Source to solve the crystal structure with composition (K + Na)3Cu20Al3Si29O76(OH)16⋅∼8H2O; triclinic, P1̄, a = 13.634(5) Å, b = 13.687(7), c = 14.522(7), α = 110.83(1)°, β = 107.21(1), γ = 105.68(1); refined to a final R = 12.5%. Electron microprobe analysis yielded a similar chemical composition that is slightly different from the combined chemical and electron microprobe analyses in the literature. The ajoite structure can be described as a zeolitic octahedral-tetrahedral framework that combines the alternate stacking of edge-sharing octahedral CuO6 layers and curved aluminosilicate layers and strings. Channels bounded by elliptical 12-rings and circular 8-rings of tetrahedra contain (K and Na) ions and water. The Al atoms occupy some of the Si tetrahedral sites. Each Cu atom has near-planar bonds to four oxygen atoms plus two longer distances that generate a distorted octahedron. Valence bond estimates indicate that 8 oxygen atoms of 46 are hydroxyl. Only one alkali atom was located in distorted octahedral coordination, and electron microprobe analyses indicate K and Na as major substituents. The water from chemical analysis presumably occurs as disordered molecules of zeolitic type not giving electron density from diffraction. The high R factor results from structural disorder and many weak intensities close to detection level. The crystal chemistry is compared with shattuckite, Cu5(SiO3)4(OH)2, and planchéite, Cu8Si8O22(OH)4⋅H2O, both found in oxidized copper deposits of Arizona but only the former directly with ajoite. PMID:12177404

The Temperature and Structure Dependence of Surface Tension of CaO-SiO2-Na2O-CaF2 Mold Fluxes

NASA Astrophysics Data System (ADS)

Gao, Qiang; Min, Yi; Jiang, Maofa

2018-06-01

The surface tension of mold flux is one of the most important properties and varies with the temperature from the top to the bottom of the mold, which influences the adhesion and lubrication between the liquid mold flux and the solidified shell, further influencing the quality of the continuous billet. In the present paper, the effect of temperature on the surface tension of CaO-SiO2-Na2O-CaF2 mold-flux melts with different CaO/SiO2 mass ratios was investigated using the maximum-pull method. Furthermore, the microstructure of mold fluxes was analyzed using FT-IR and Raman spectra to discuss the change mechanism of surface tension. The results indicated that the temperature dependence of surface tension was different with different CaO/SiO2 mass ratios, and agreed with the modification of melt structure. When the CaO/SiO2 mass ratio was 0.67 and 0.85, the change of surface tension with temperature was relatively stable, and the influence of temperature on the structure was small. When the CaO/SiO2 mass ratio was 1.03 and 1.16, with an increase of temperature, the surface tension decreased linearly and the changing amplitude was large; the degree of polymerization of melts and average radii of silicon-oxygen anions also decreased, which intensified the molecular thermal motion and weakened the intermolecular interaction, resulting in a decrease of surface tension of melts.

The Temperature and Structure Dependence of Surface Tension of CaO-SiO2-Na2O-CaF2 Mold Fluxes

NASA Astrophysics Data System (ADS)

Gao, Qiang; Min, Yi; Jiang, Maofa

2018-02-01

The surface tension of mold flux is one of the most important properties and varies with the temperature from the top to the bottom of the mold, which influences the adhesion and lubrication between the liquid mold flux and the solidified shell, further influencing the quality of the continuous billet. In the present paper, the effect of temperature on the surface tension of CaO-SiO2-Na2O-CaF2 mold-flux melts with different CaO/SiO2 mass ratios was investigated using the maximum-pull method. Furthermore, the microstructure of mold fluxes was analyzed using FT-IR and Raman spectra to discuss the change mechanism of surface tension. The results indicated that the temperature dependence of surface tension was different with different CaO/SiO2 mass ratios, and agreed with the modification of melt structure. When the CaO/SiO2 mass ratio was 0.67 and 0.85, the change of surface tension with temperature was relatively stable, and the influence of temperature on the structure was small. When the CaO/SiO2 mass ratio was 1.03 and 1.16, with an increase of temperature, the surface tension decreased linearly and the changing amplitude was large; the degree of polymerization of melts and average radii of silicon-oxygen anions also decreased, which intensified the molecular thermal motion and weakened the intermolecular interaction, resulting in a decrease of surface tension of melts.

Preparation of a Si/SiO2 -Ordered-Mesoporous-Carbon Nanocomposite as an Anode for High-Performance Lithium-Ion and Sodium-Ion Batteries.

PubMed

Zeng, Lingxing; Liu, Renpin; Han, Lei; Luo, Fenqiang; Chen, Xi; Wang, Jianbiao; Qian, Qingrong; Chen, Qinghua; Wei, Mingdeng

2018-04-03

In this work, an Si/SiO 2 -ordered-mesoporous carbon (Si/SiO 2 -OMC) nanocomposite was initially fabricated through a magnesiothermic reduction strategy by using a two-dimensional bicontinuous mesochannel of SiO 2 -OMC as a precursor, combined with an NaOH etching process, in which crystal Si/amorphous SiO 2 nanoparticles were encapsulated into the OMC matrix. Not only can such unique porous crystal Si/amorphous SiO 2 nanoparticles uniformly dispersed in the OMC matrix mitigate the volume change of active materials during the cycling process, but they can also improve electrical conductivity of Si/SiO 2 and facilitate the Li + /Na + diffusion. When applied as an anode for lithium-ion batteries (LIBs), the Si/SiO 2 -OMC composite displayed superior reversible capacity (958 mA h g -1 at 0.2 A g -1 after 100 cycles) and good cycling life (retaining a capacity of 459 mA h g -1 at 2 A g -1 after 1000 cycles). For sodium-ion batteries (SIBs), the composite maintained a high capacity of 423 mA h g -1 after 100 cycles at 0.05 A g -1 and an extremely stable reversible capacity of 190 mA h g -1 was retained even after 500 cycles at 1 A g -1 . This performance is one of the best long-term cycling properties of Si-based SIB anode materials. The Si/SiO 2 -OMC composites exhibited great potential as an alternative material for both lithium- and sodium-ion battery anodes. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of charge compensator ions (R+ = Li+, Na+ and K+) on Sr2MgSi2O7:Dy3+ phosphors by solid-state reaction method

NASA Astrophysics Data System (ADS)

Sahu, Ishwar Prasad

2016-09-01

The Sr2MgSi2O7:Dy3+ and Sr2MgSi2O7:Dy3+, R+ (R+ = Li+, Na+ and K+) phosphors were prepared by solid-state reaction method. The crystal structures of sintered phosphors were an akermanite-type structure which belongs to the tetragonal crystallography. The prepared phosphors were excited at 350 nm, and their corresponding emission spectrum were recorded at blue (482 nm) and yellow (575 nm) region due to the 4F9/2 → 6H15/2 and 4F9/2 → 6H13/2 transitions, respectively, of Dy3+ ions. Commission Internationale de L'Eclairage coordinates have been calculated for each sample and its value exhibited that overall emission is near white light. The possible mechanisms of discussed white light emitting phosphors were also investigated. In order to investigate the suitability of the samples as white color light sources for industrial uses, color purity, correlated color temperature (CCT) and color rendering index (CRI) were calculated. Values of color purity, CCT and CRI were found well within the defined acceptable range. With incorporating (R+ = Li+, Na+ and K+) as charge compensator ions, the emission intensity of Sr2MgSi2O7:Dy3+ can be obviously enhanced. The results indicate that prepared phosphors may be a potential application in display devices.

Microstructure and Corrosion Behavior of CrN and CrSiCN Coatings

NASA Astrophysics Data System (ADS)

Cai, Feng; Yang, Qi; Huang, Xiao; Wei, Ronghua

2010-07-01

Three CrN-based coatings were deposited on 17-4PH stainless steel substrate using plasma enhanced magnetron sputtering (PEMS) technique. The microstructure and corrosion resistance were evaluated to examine the effect of Si and C in the coatings. The three coating compositions were CrN(Cr0.69N0.31), CrSiCN-1 (Cr0.55Si0.014C0.14N0.3), and CrSiCN-2 (Cr0.43Si0.037C0.24N0.3). The testing results indicated that with the increase of Si concentration, the coating microstructure transformed from B1 structure to B1 + Si3N4 structure. All the three coating systems were subjected to electrochemical tests in 3.5% NaCl solution at room temperature. Potentiodynamic polarization results revealed that the CrSiCN-2 coating had a higher anodic current density and a lower corrosion potential when compared to the CrN and CrSiCN-1 coatings. Extended exposure in 3.5% NaCl caused several localized corrosion to the CrSiCN-2 coating due to the porous coating structure. Electrochemical impedance spectroscopic measurements demonstrated that the CrSiCN-1 has better corrosion resistance than CrN and CrSiCN-2.

Synthesis and catalytic performance of SiO2@Ni and hollow Ni microspheres

NASA Astrophysics Data System (ADS)

Liu, Xin; Liu, Yanhua; Shi, Xueting; Yu, Zhengyang; Feng, Libang

2016-11-01

Nickel (Ni) catalyst has been widely used in catalytic reducing reactions such as catalytic hydrogenation of organic compounds and catalytic reduction of organic dyes. However, the catalytic efficiency of pure Ni is low. In order to improve the catalytic performance, Ni nanoparticle-loaded microspheres can be developed. In this study, we have prepared Ni nanoparticle-loaded microspheres (SiO2@Ni) and hollow Ni microspheres using two-step method. SiO2@Ni microspheres with raspberry-like morphology and core-shell structure are synthesized successfully using SiO2 microsphere as a template and Ni2+ ions are adsorbed onto SiO2 surfaces via electrostatic interaction and then reduced and deposited on surfaces of SiO2 microspheres. Next, the SiO2 cores are removed by NaOH etching and the hollow Ni microspheres are prepared. The NaOH etching time does no have much influence on the crystal structure, shape, and surface morphology of SiO2@Ni; however, it can change the phase composition evidently. The hollow Ni microspheres are obtained when the NaOH etching time reaches 10 h and above. The as-synthesized SiO2@Ni microspheres exhibit much higher catalytic performance than the hollow Ni microspheres and pure Ni nanoparticles in the catalytic reduction of methylene blue. Meanwhile, the SiO2@Ni catalyst has high stability and hence it can be recycled for reuse.

Fabrication and Luminescence Characterization of a Silica Nanomatrix Embedded with NaYF4:Yb:Er:Tm@NaGdF4/Fe3O4 Nanoparticles

NASA Astrophysics Data System (ADS)

Thangaraju, Dheivasigamani; Santhana, Vedi; Matsuda, Satoshi; Hayakawa, Yasuhiro

2018-05-01

Hexagonal NaYF4:Yb:Er:Tm@NaGdF4 core-shell nanocrystals were synthesized using a seed mediated hot injection method, and monodispersed Fe3O4 (4 nm) nanoparticles were prepared from iron(II) actylacetonate by a precursor thermal decomposition method. Structural and morphology verified NaYF4:Yb:Er:Tm@NaGdF4 and Fe3O4 nanoparticles were utilized for the preparation of NaYF4:Yb:Er:Tm@NaGdF4/Fe3O4@SiO2 nanocomposite using a micro-emulsion method. Existence of Fe3O4 in NaYF4:Yb:Er:Tm@NaGdF4 in SiO2 nano-spheres were confirmed with transmission electron microscopy. Luminescence measurement revealed that NaYF4:Yb:Er:Tm@NaGdF4 exhibited strong emissions at green and red regions, in addition to a weak blue emission also observed under 980 nm excitation. Up-conversion emission of the nanoparticle-embedded silica nanocomposite showed that the up-conversion emission was not affected by Fe3O4 nanoparticles.

Optical properties of Na2O-TiO2-SiO2 glass films prepared by the sol-gel method

NASA Astrophysics Data System (ADS)

Barton, Ivo; Matejec, Vlastimil; Mrazek, Jan; Predoana, Luminita; Zaharescu, Maria

2017-12-01

Layers based on TiO2-SiO2 systems fabricated by sol-gel method have been investigated for the preparation of planar waveguides, antireflective coatings, Bragg mirrors, etc. However, at high titania contents such materials exhibit high viscosities and tendency to phase separation. In this paper we present optical properties of films containing TiO2 which are prepared via a novel approach sol-gel on the basis of ternary Na2O-TiO2-SiO2 glasses and which can exhibit lower viscosities. Films of Na2O-TiO2-SiO2 systems were prepared from input sols mixed of silica, titania and sodium oxide sols. The silica sol was prepared from tetraethyl orthosilicate (TEOS), ethanol, hydrochloric acid and water, with a TEOS c= 2 mol/l and water/alkoxide ratio 1.75. The titania sol was mixed from titanium tetraisopropoxide (TiPr), propan-2-ol, nitric acid and water, c= 0.5 mol/l, RW= 0.42. The sodium oxide sols with c= 0.474 mol/l were prepared from sodium ethoxide and ethanol. Input sols were prepared by mixing the silica and titania sols first and then the sodium sol was added. The input sols were aged for one hour. Stable input sols were obtained. The input sols were deposited on glass and silica slides by dip-coating technique at a withdrawing speeds of 200 mm/min. Applied gel layers were thermally treated at temperatures of 450 and 900°C. Layers containing sodium oxide and titania in concentration ranges of 0-20 mol.% and 0-30 mol.% respectively have been fabricated. Optical properties of layers were determined by UV-VIS-NIR transmission and reflection spectrophotometry. Refractive indices of layers were determined by spectral ellipsometry and from transmission spectra. Optical properties were correlated with results of XRD spectroscopy, optical microscopy, and atomic force microscopy. Transparent homogenous films with a maximum refractive index of 1.61 at a wavelength of 600 nm have been obtained.

Synthesis and characterization of AlTiSiN/CrSiN multilayer coatings by cathodic arc ion-plating

NASA Astrophysics Data System (ADS)

Yang, B.; Tian, C. X.; Wan, Q.; Yan, S. J.; Liu, H. D.; Wang, R. Y.; Li, Z. G.; Chen, Y. M.; Fu, D. J.

2014-09-01

AlTiSiN/CrSiN multilayer coatings were deposited on Si (1 0 0) and cemented carbide substrates using Cr, AlTi cathodes and SiH4 gases by cathodic arc ion plating system. The influences of SiH4 gases flowrate on the structural and mechanical properties of the coatings were investigated, systematically. AlTiSiN/CrSiN coatings exhibit a B1 NaCl-type nano-multilayered structure in which the CrSiN nano-layers alternate with AlTiSiN nano-layers with multiple orientations of crystal planes indicated by XRD patterns and TEM. Si contents of the coatings increase with increasing SiH4 flowrate. The hardness of the coatings increases to the maximum value of 3500 Hv0.05 with increasing SiH4 flowrate from 20 to 40 sccm and then decreases with further addition of SiH4 gases. A higher adhesive force of 73 N is obtained at the flowrate of 48 sccm. The coatings exhibit different tribological performance when the mating materials were varied from Si3N4 to cemented carbide balls and the variation of friction coefficients of the coatings against Si3N4 influenced by SiH4 flowrate are not obvious as against cemented carbide balls.

An efficient microwave-assisted synthesis method for the production of water soluble amine-terminated Si nanoparticles.

PubMed

Atkins, Tonya M; Louie, Angelique Y; Kauzlarich, Susan M

2012-07-27

Silicon nanoparticles can be considered a green material, especially when prepared via a microwave-assisted method without the use of highly reactive reducing agents or hydrofluoric acid. A simple solution synthesis of hydrogen-terminated Si- and Mn-doped Si nanoparticles via microwave-assisted synthesis is demonstrated. The reaction of the Zintl salt, Na(4)Si(4), or Mn-doped Na(4)Si(4), Na(4)Si(4(Mn)), with ammonium bromide, NH(4)Br, produces small dispersible nanoparticles along with larger particles that precipitate. Allylamine and 1-amino-10-undecene were reacted with the hydrogen-terminated Si nanoparticles to provide water solubility and stability. A one-pot, single-reaction process and a one-pot, two-step reaction process were investigated. Details of the microwave-assisted process are provided, with the optimal synthesis being the one-pot, two-step reaction procedure and a total time of about 15 min. The nanoparticles were characterized by transmission electron microscopy (TEM), x-ray diffraction, and fluorescence spectroscopies. The microwave-assisted method reliably produces a narrow size distribution of Si nanoparticles in solution.

Upconversion induced enhancement of dye sensitized solar cells based on core-shell structured β-NaYF4:Er3+, Yb3+@SiO2 nanoparticles

NASA Astrophysics Data System (ADS)

Zhou, Ziyao; Wang, Jiahong; Nan, Fan; Bu, Chenghao; Yu, Zhenhua; Liu, Wei; Guo, Shishang; Hu, Hao; Zhao, Xing-Zhong

2014-01-01

Upconversion materials have been employed as energy relay materials in dye sensitized solar cells (DSCs) to broaden the range of light absorption. However, the origin of the enhancements can be induced by both upconversion and size-dependent light scattering effects. To clarify the role of the upconversion material in the photoelectrode of DSCs, an upconversion induced device was realized here, which has the size-dependent light scattering effect eliminated via the application of NaYF4:Er3+, Yb3+@SiO2 upconversion nanoparticles (β-NYEY@SiO2 UCNPs). An enhancement of 6% in efficiency was observed for the device. This demonstration provided an insight into the possible further employment of upconversion in DSCs.Upconversion materials have been employed as energy relay materials in dye sensitized solar cells (DSCs) to broaden the range of light absorption. However, the origin of the enhancements can be induced by both upconversion and size-dependent light scattering effects. To clarify the role of the upconversion material in the photoelectrode of DSCs, an upconversion induced device was realized here, which has the size-dependent light scattering effect eliminated via the application of NaYF4:Er3+, Yb3+@SiO2 upconversion nanoparticles (β-NYEY@SiO2 UCNPs). An enhancement of 6% in efficiency was observed for the device. This demonstration provided an insight into the possible further employment of upconversion in DSCs. Electronic supplementary information (ESI) available: Details of preparations and characterizations; the TEM images, EDX measurements, XRD measurements and upconversion emission spectrum of bared β-NYEY nanocrystals; SEM and AFM images of the photoelectrode with different concentrations of β-NYEY nanocrystals; J-V characteristics, EIS measurements and fitted EIS parameters of the DSCs based on five different photoelectrodes. See DOI: 10.1039/c3nr04315k

Electrical Conductivity of Cancrinite-Type Na8 - 2 x Ca x [Al6Si6O24][CO3] · 2H2O ( x ≤ 0.03) Crystals

NASA Astrophysics Data System (ADS)

Sorokin, N. I.

2018-05-01

The electrical conductivity of crystals of artificial cancrinite Na8 - 2 x Ca x [Al6Si6O24][CO3] · 2H2O ( x ≤ 0.03) has been studied in the temperature range of 498-604 K. These crystals were grown by hydrothermal synthesis on a seed in the Na2O-Al2O3-SiO2-H2O system ( t = 380-420°C, P = 3 × 107-9 × 107 Pa). The ionic conductivity of a single-crystal sample (sp. gr. P63), measured along the crystallographic axis c, is low: σ = 8 × 10-7 S/cm at 300°C. The electric transport activation energy is E a = 0.81 ± 0.05 eV. The relationship between the ionic conductivity and specific features of the atomic structure of cancrinites is discussed.

FeSi4P4: A novel negative electrode with atypical electrochemical mechanism for Li and Na-ion batteries

NASA Astrophysics Data System (ADS)

Coquil, Gaël; Fullenwarth, Julien; Grinbom, Gal; Sougrati, Moulay Tahar; Stievano, Lorenzo; Zitoun, David; Monconduit, Laure

2017-12-01

The electrochemical mechanism and performance of FeSi4P4, vs. Na and Li were studied using a combination of operando X-ray diffraction, 57Fe Mössbauer spectroscopy, and SQUID magnetometry. This silicon- and phosphorous-rich material exhibits a high capacity of 1750 mAh/g, retaining 1120 mAh/g after 40 cycles, and reacts through an original reversible mechanism surprisingly involving only slight changes in the chemical environment of the iron. Magnetic measurements and 57Fe Mössbauer spectroscopy at low temperature reveal the reversible but incomplete change of the magnetic moment upon charge and discharge. Such a mild reversible process without drastic phase transition (with the exception of the crystalline to amorphous transition during the first lithiation) can explain the satisfying capacity retention. The electrochemical mechanism appears thus to be significantly different from the classical conversion or alloying/dealloying mechanisms usually observed in Lithium ion batteries for p-group element based materials. The same iron silicon phosphide electrode shows also interesting but significantly lower performance vs. Na, with a limited capacity retention 350 mAh/g.

Conventional hydrothermal synthesis of Na-A zeolite from cupola slag and aluminum sludge.

PubMed

Anuwattana, Rewadee; Khummongkol, Pojanie

2009-07-15

Na-A type zeolites were prepared from two industrial wastes: the solid by-product of cupola slag and aluminum sludge from an aluminum plating plant. Two preparation methods using the same starting material compositions were carried out. In the first method, alkaline fusion was introduced, followed by the hydrothermal treatment to obtain sodium aluminosilicate which was then crystallized in NaOH solution under the condition of 90+/-3 degrees C for 1-9h with different H(2)O/SiO2 ratios. The result shows that higher H(2)O/SiO2 ratio increases the rate of crystallization. The largest amount of crystallinity for Na-A was found at 3h. In the second method, alkaline hydrothermal treatment without fusion was carried out in the same condition as the first method. No Na-A zeolite was obtained by this method. The changes of the dissolved amounts of Si(4+) and Al(3+) in 3M NaOH were investigated during the hydrothermal reaction.

Photoluminescence Analysis of White-Light-Emitting Si Nanoparticles Using Effective Mass Approximation Method

NASA Astrophysics Data System (ADS)

Lee, Soojin; Cho, Woon Jo; Kim, Yang Do; Kim, Eun Kyu; Park, Jae Gwan

2005-07-01

White-light-emitting Si nanoparticles were prepared from the sodium silicide (NaSi) precursor. The photoluminescence of colloidal Si nanoparticles has been fitted by effective mass approximation (EMA). We analyzed the correlation between experimental photoluminescence and simulated fitting curves. Both the mean diameter and the size dispersion of the white-light-emitting Si nanoparticles were estimated.

Low temperature heat capacity and thermodynamic functions of anion bearing sodalites Na 8Al 6Si 6O 24X 2 (X = SO 4, ReO 4, Cl, I)

DOE PAGES

Schliesser, Jacob; Lilova, Kristina; Pierce, Eric M.; ...

2017-06-01

Heat capacities of sulfate, perrhenate, chloride, and iodide sodalites with the ideal formula Na 8Al 6Si 6O 24X 2 (X = SO 4, ReO 4, Cl, I) were measured from 2 K to 300 K using a Quantum Design Physical Property Measurement System (PPMS). From the heat capacity data, the standard thermodynamic functions were determined. All four sodalites undergo a phase transition below room temperature for which thermodynamic parameters were determined. Additionally, the heat capacity of one of the constituent compounds (NaReO 4) was measured.

Scaling effects in sodium zirconium silicate phosphate (Na 1+ xZr 2Si xP 3- xO 12) ion-conducting thin films

DOE PAGES

Ihlefeld, Jon F.; Gurniak, Emily; Jones, Brad H.; ...

2016-05-04

Preparation of sodium zirconium silicate phosphate (NaSICon), Na 1+xZr 2Si xP 3–xO 12 (0.25 ≤ x ≤ 1.0), thin films has been investigated via a chemical solution approach on platinized silicon substrates. Increasing the silicon content resulted in a reduction in the crystallite size and a reduction in the measured ionic conductivity. Processing temperature was also found to affect microstructure and ionic conductivity with higher processing temperatures resulting in larger crystallite sizes and higher ionic conductivities. The highest room temperature sodium ion conductivity was measured for an x = 0.25 composition at 2.3 × 10 –5 S/cm. In conclusion, themore » decreasing ionic conductivity trends with increasing silicon content and decreasing processing temperature are consistent with grain boundary and defect scattering of conducting ions.« less

Ultralow power switching in a silicon-rich SiNy/SiNx double-layer resistive memory device.

PubMed

Kim, Sungjun; Chang, Yao-Feng; Kim, Min-Hwi; Bang, Suhyun; Kim, Tae-Hyeon; Chen, Ying-Chen; Lee, Jong-Ho; Park, Byung-Gook

2017-07-26

Here we demonstrate low-power resistive switching in a Ni/SiN y /SiN x /p ++ -Si device by proposing a double-layered structure (SiN y /SiN x ), where the two SiN layers have different trap densities. The LRS was measured to be as low as 1 nA at a voltage of 1 V, because the SiN x layer maintains insulating properties for the LRS. The single-layered device suffers from uncontrollability of the conducting path, accompanied by the inherent randomness of switching parameters, weak immunity to breakdown during the reset process, and a high operating current. On the other hand, for a double-layered device, the effective conducting path in each layer, which can determine the operating current, can be well controlled by the I CC during the initial forming and set processes. A one-step forming and progressive reset process is observed for a low-power mode, which differs from the high-power switching mode that shows a two-step forming and reset process. Moreover, nonlinear behavior in the LRS, whose origin can be attributed to the P-F conduction and F-N tunneling driven by abundant traps in the silicon-rich SiN x layer, would be beneficial for next-generation nonvolatile memory applications by using a conventional passive SiN x layer as an active dielectric.

Bifunctional Ag@SiO 2 /Au Nanoparticles for Probing Sequential Catalytic Reactions by Surface-Enhanced Raman Spectroscopy

DOE PAGES

Wu, Yiren; Su, Dong; Qin, Dong

2017-02-22

Here, we report the synthesis of bifunctional Ag@SiO 2/Au nanoparticles with an “islands in the sea” configuration by titrating HAuCl 4 solution into an aqueous suspension of Ag@SiO 2 core–shell nanocubes in the presence of NaOH, ascorbic acid, and poly(vinyl pyrrolidone) at pH 11.9. The NaOH plays an essential role in generating small pores in the SiO 2 shell in situ, followed by the epitaxial deposition of Au from the Ag surface through the pores, leading to the formation of Au islands (6–12 nm in size) immersed in a SiO 2 sea. Furthermore, by controlling the amount of HAuCl 4more » titrated into the reaction system, the Au islands can be made to pass through and protrude from the SiO 2 shell, embracing catalytic activity toward the reduction of 4-nitrophenol to 4-aminophenol by NaBH4. And while the Ag in the core provides a strong surface-enhanced Raman scattering activity, the SiO 2 sea helps maintain the Au component as compact, isolated, and stabilized islands. The Ag@SiO 2/Au nanoparticles can serve as a bifunctional probe to monitor the stepwise Au-catalyzed reduction of 4-nitrothiophenol to 4-aminothiophenol by NaBH 4 and Ag-catalyzed oxidation of 4-aminothiophenol to trans-4,4'-dimercaptoazobenzene by the O 2 from air in the same reaction system.« less

Bifunctional Ag@SiO 2 /Au Nanoparticles for Probing Sequential Catalytic Reactions by Surface-Enhanced Raman Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Yiren; Su, Dong; Qin, Dong

Here, we report the synthesis of bifunctional Ag@SiO 2/Au nanoparticles with an “islands in the sea” configuration by titrating HAuCl 4 solution into an aqueous suspension of Ag@SiO 2 core–shell nanocubes in the presence of NaOH, ascorbic acid, and poly(vinyl pyrrolidone) at pH 11.9. The NaOH plays an essential role in generating small pores in the SiO 2 shell in situ, followed by the epitaxial deposition of Au from the Ag surface through the pores, leading to the formation of Au islands (6–12 nm in size) immersed in a SiO 2 sea. Furthermore, by controlling the amount of HAuCl 4more » titrated into the reaction system, the Au islands can be made to pass through and protrude from the SiO 2 shell, embracing catalytic activity toward the reduction of 4-nitrophenol to 4-aminophenol by NaBH4. And while the Ag in the core provides a strong surface-enhanced Raman scattering activity, the SiO 2 sea helps maintain the Au component as compact, isolated, and stabilized islands. The Ag@SiO 2/Au nanoparticles can serve as a bifunctional probe to monitor the stepwise Au-catalyzed reduction of 4-nitrothiophenol to 4-aminothiophenol by NaBH 4 and Ag-catalyzed oxidation of 4-aminothiophenol to trans-4,4'-dimercaptoazobenzene by the O 2 from air in the same reaction system.« less

Crystal structure of the mineral (Na,Ca,K)2(Ca,Na)4(Mg,Fe)5(Mg,Fe,Ti)5[Si12Al4O44](F,O)4: a triclinic representative of the amphibole family

NASA Astrophysics Data System (ADS)

Rastsvetaeva, R. K.; Aksenov, S. M.

2012-05-01

A mineral belonging to the amphibole family found at the Rothenberg paleovolcano (Eifel, Germany) was studied by single-crystal X-ray diffraction. The triclinic pseudomonoclinic unit-cell parameters are a = 5.3113(1) Å, b = 18.0457(3) Å; c = 9.8684(2) Å, α = 90.016(2)°, β = 105.543(4)°, γ = 89.985(2)°. The structure was solved by direct methods in sp. gr. P1 and refined to the R factor of 2.7% based on 6432 reflections with | F| > 3σ( F) taking into account twinning. The mineral with the idealized formula (Na,Ca,K)2(Ca,Na)4(Mg,Fe)5(Mg,Fe,Ti)5[Si12Al4O44](F,O)4 has some symmetry and structural features that distinguish it from other minerals of this family.

Mass Spectrometric Investigation of Silicon Extremely Enriched in (28)Si: From (28)SiF4 (Gas Phase IRMS) to (28)Si Crystals (MC-ICP-MS).

PubMed

Pramann, Axel; Rienitz, Olaf

2016-06-07

A new generation of silicon crystals even further enriched in (28)Si (x((28)Si) > 0.999 98 mol/mol), recently produced by companies and institutes in Russia within the framework of a project initiated by PTB, were investigated with respect to their isotopic composition and molar mass M(Si). A modified isotope dilution mass spectrometric (IDMS) method treating the silicon as the matrix containing a so-called virtual element (VE) existing of the isotopes (29)Si and (30)Si solely and high resolution multicollector inductively coupled plasma mass spectrometry (MC-ICP-MS) were applied in combination. This method succeeds also when examining the new materials holding merely trace amounts of (29)Si (x((29)Si) ≈ 5 × 10(-6) mol/mol) and (30)Si (x((30)Si) ≈ 7 × 10(-7) mol/mol) extremely difficult to detect with lowest uncertainty. However, there is a need for validating the enrichment in (28)Si already in the precursor material of the final crystals, silicon tetrafluoride (SiF4) gas prior to crystal production. For that purpose, the isotopic composition of selected SiF4 samples was determined using a multicollector magnetic sector field gas-phase isotope ratio mass spectrometer. Contaminations of SiF4 by natural silicon due to storing and during the isotope ratio mass spectrometry (IRMS) measurements were observed and quantified. The respective MC-ICP-MS measurements of the corresponding crystal samples show-in contrast-several advantages compared to gas phase IRMS. M(Si) of the new crystals were determined to some extent with uncertainties urel(M) < 1 × 10(-9). This study presents a clear dependence of the uncertainty urel(M(Si)) on the degree of enrichment in (28)Si. This leads to a reduction of urel(M(Si)) during the past decade by almost 3 orders of magnitude and thus further reduces the uncertainty of the Avogadro constant NA which is one of the preconditions for the redefinition of the SI unit kilogram.

Hot Corrosion Behavior of Stainless Steel with Al-Si/Al-Si-Cr Coating

NASA Astrophysics Data System (ADS)

Fu, Guangyan; Wu, Yongzhao; Liu, Qun; Li, Rongguang; Su, Yong

2017-03-01

The 1Cr18Ni9Ti stainless steel with Al-Si/Al-Si-Cr coatings is prepared by slurry process and vacuum diffusion, and the hot corrosion behavior of the stainless steel with/without the coatings is studied under the condition of Na2SO4 film at 950 °C in air. Results show that the corrosion kinetics of stainless steel, the stainless steel with Al-Si coating and the stainless steel with Al-Si-Cr coating follow parabolic laws in several segments. After 24 h corrosion, the sequence of the mass gain for the three alloys is the stainless steel with Al-Si-Cr coating < the stainless steel with Al-Si coating < the stainless steel without any coating. The corrosion products of the three alloys are layered. Thereinto, the corrosion products of stainless steel without coating are divided into two layers, where the outside layer contains a composite of Fe2O3 and FeO, and the inner layer is Cr2O3. The corrosion products of the stainless steel with Al-Si coating are also divided into two layers, of which the outside layer mainly consists of Cr2O3, and the inner layer is mainly SiO2. The corrosion film of the stainless steel with Al-Si-Cr coating is thin and dense, which combines well with substrate. Thereinto, the outside layer is mainly Cr2O3, and the inside layer is Al2O3. In the matrix of all of the three alloys, there exist small amount of sulfides. Continuous and protective films of Cr2O3, SiO2 and Al2O3 form on the surface of the stainless steel with Al-Si and Al-Si-Cr coatings, which prevent further oxidation or sulfide corrosion of matrix metals, and this is the main reason for the much smaller mass gain of the two alloys than that of the stainless steel without any coatings in the 24 h hot corrosion process.

Reduction Mechanisms of Cu2+-Doped Na2O-Al2O3-SiO2 Glasses during Heating in H2 Gas.

PubMed

Nogami, Masayuki; Quang, Vu Xuan; Ohki, Shinobu; Deguchi, Kenzo; Shimizu, Tadashi

2018-01-25

Controlling valence state of metal ions that are doped in materials has been widely applied for turning optical properties. Even though hydrogen has been proven effective to reduce metal ions because of its strong reducing capability, few comprehensive studies focus on practical applications because of the low diffusion rate of hydrogen in solids and the limited reaction near sample surfaces. Here, we investigated the reactions of hydrogen with Cu 2+ -doped Na 2 O-Al 2 O 3 -SiO 2 glass and found that a completely different reduction from results reported so far occurs, which is dominated by the Al/Na concentration ratio. For Al/Na < 1, Cu 2+ ions were reduced via hydrogen to metallic Cu, distributing in glass body. For Al/Na > 1, on the other hand, the reduction of Cu 2+ ions occurred simultaneously with the formation of OH bonds, whereas the reduced Cu metal moved outward and formed a metallic film on glass surface. The NMR and Fourier transform infrared results indicated that the Cu 2+ ions were surrounded by Al 3+ ions that formed AlO 4 , distorted AlO 4 , and AlO 5 units. The diffused H 2 gas reacted with the Al-O - ···Cu + units, forming Al-OH and metallic Cu, the latter of which moved freely toward glass surface and in return enhanced H 2 diffusion.

Na/Ca Intermixing around Silicate and Phosphate Groups in Bioactive Phosphosilicate Glasses Revealed by Heteronuclear Solid-State NMR and Molecular Dynamics Simulations.

PubMed

Mathew, Renny; Stevensson, Baltzar; Edén, Mattias

2015-04-30

We characterize the intermixing of network-modifying Na(+)/Ca(2+) ions around the silicate (QSi(n)) and phosphate (QP(n)) tetrahedra in a series of 16 Na2O–CaO–SiO2–P2O5 glasses, whose P content and silicate network connectivity were varied independently. The set includes both bioactive and bioinactive compositions and also encompasses two soda-lime-silicate members devoid of P, as well as two CaO–SiO2 glasses and one Na2O–SiO2–P2O5 glass. The various Si/P↔Na/Ca contacts were probed by molecular dynamics (MD) simulations together with heteronuclear magic-angle-spinning (MAS) nuclear magnetic resonance (NMR) experimentation utilizing (23)Na{(31)P} and (23)Na{(29)Si} REDOR, as well as (31)P{ (23)Na} and (29)Si{(23)Na} REAPDOR. We introduce an approach for quantifying the extent of Na(+)/Ca(2+) ordering around a given QP(n) or QSi(n) group, encoded by the preference factor 0⩽ PM ⩽ 1 conveying the relative weights of a random cation intermixing (PM = 0) and complete preference/ordering (PM = 1) for one of the species M, which represents either Na(+) or Ca(2+). The MD-derived preference factors reveal phosphate and silicate species surrounded by Na(+)/Ca(2+) ions intermixed nearly randomly (PM ≲ 0.15), except for the QSi(4) and QSi(1) groups, which manifest more significant cation ordering with preference for Na+ and Ca2+, respectively. The overall weak preferences are essentially independent of the Si and P contents of the glass, whereas PM primarily correlates with the total amount of network modifiers: as the latter is increased, the Na/Ca distribution around the {QP(0), QSi(1), QSi(2)} groups with preference for Ca2(+ )tend to randomize (i.e., PCa decreases), while the PNa-values grow slightly for the {QP(1), QSi(3), QSi(4)} species already preferring coordination of Na. The set of experimental preference factors {PCa} for the orthophosphate (QP(0)) groups extracted from (31)P{(23)Na} REAPDOR NMR-derived M2(P–Na) dipolar second moments agrees

The influence of coadsorbed sodium atoms on the chemisorption of benzoic acid on Si(100)-2×1

NASA Astrophysics Data System (ADS)

Bitzer, T.; Richardson, N. V.

1999-06-01

The adsorption of benzoic acid on Na-Si(100)-2×1 ( ΘNa=0.5) at room temperature leads to benzoate in a bidentate coordination. High-resolution electron energy loss spectroscopy spectra show an intense ν s(OCO) stretching vibration, which is characteristic for benzoate aligned perpendicular to the substrate surface. In contrast, we observe monodentate benzoate species following the exposure of Si(100)-2×1 to benzoic acid at room temperature. On both surfaces, the dissociated hydrogen atom bonds to one of the silicon surface atoms. Removal of benzoate from Na-Si(100)-2×1 is observed after heating the silicon substrate to 300°C for 1 min.

Electrostatic modulation of the electronic properties of Dirac semimetal Na3Bi thin films

NASA Astrophysics Data System (ADS)

Hellerstedt, Jack; Yudhistira, Indra; Edmonds, Mark T.; Liu, Chang; Collins, James; Adam, Shaffique; Fuhrer, Michael S.

2017-10-01

Large-area thin films of topological Dirac semimetal Na3Bi are grown on amorphous SiO2:Si substrates to realize a field-effect transistor with the doped Si acting as a back gate. As-grown films show charge carrier mobilities exceeding 7 000 cm2/V s and carrier densities below 3 ×1018cm-3 , comparable to the best thin-film Na3Bi . An ambipolar field effect and minimum conductivity are observed, characteristic of Dirac electronic systems. The results are quantitatively understood within a model of disorder-induced charge inhomogeneity in topological Dirac semimetals. The hole mobility is significantly larger than the electron mobility in Na3Bi which we ascribe to the inverted band structure. When present, these holes dominate the transport properties.

Gels and gel-derived glasses in the system Na2O-B2O3-SiO2

NASA Technical Reports Server (NTRS)

Mukherjee, S. P.

1983-01-01

The containerless melting of high-purity multicomponent homogeneous gels and gel monoliths offers a unique approach to making ultrapure multicomponent optical glasses in the reduced gravity environment of space. Procedures for preparing and characterizing gels and gel-derived glasses in the system Na2O-B2O3-SiO2 are described. Preparation is based on the polymerization reactions of alkoxysilane with trimethyl borate or boric acid and a suitable sodium compound. The chemistry of the gelling process is discussed in terms of process parameters and the gel compositions. The physicochemical nature of gels prepared by three different procedures was found to be significantly different. Infrared absorption spectra indicate finite differences in the molecular structures of the different gels. The melting of the gel powders and the transformation of porous gel monoliths to transparent 'glass' without melting are described.

GIS-NaP1 zeolite microspheres as potential water adsorption material: Influence of initial silica concentration on adsorptive and physical/topological properties

PubMed Central

Sharma, Pankaj; Song, Ju-Sub; Han, Moon Hee; Cho, Churl-Hee

2016-01-01

GIS-NaP1 zeolite samples were synthesized using seven different Si/Al ratios (5–11) of the hydrothermal reaction mixtures having chemical composition Al2O3:xSiO2:14Na2O:840H2O to study the impact of Si/Al molar ratio on the water vapour adsorption potential, phase purity, morphology and crystal size of as-synthesized GIS-NaP1 zeolite crystals. The X-ray diffraction (XRD) observations reveal that Si/Al ratio does not affect the phase purity of GIS-NaP1 zeolite samples as high purity GIS-NaP1 zeolite crystals were obtained from all Si/Al ratios. Contrary, Si/Al ratios have remarkable effect on the morphology, crystal size and porosity of GIS-NaP1 zeolite microspheres. Transmission electron microscopy (TEM) evaluations of individual GIS-NaP1 zeolite microsphere demonstrate the characteristic changes in the packaging/arrangement, shape and size of primary nano crystallites. Textural characterisation using water vapour adsorption/desorption, and nitrogen adsorption/desorption data of as-synthesized GIS-NaP1 zeolite predicts the existence of mix-pores i.e., microporous as well as mesoporous character. High water storage capacity 1727.5 cm3 g−1 (138.9 wt.%) has been found for as-synthesized GIS-NaP1 zeolite microsphere samples during water vapour adsorption studies. Further, the total water adsorption capacity values for P6 (1299.4 mg g−1) and P7 (1388.8 mg g−1) samples reveal that these two particular samples can absorb even more water than their own weights. PMID:26964638

GIS-NaP1 zeolite microspheres as potential water adsorption material: Influence of initial silica concentration on adsorptive and physical/topological properties.

PubMed

Sharma, Pankaj; Song, Ju-Sub; Han, Moon Hee; Cho, Churl-Hee

2016-03-11

GIS-NaP1 zeolite samples were synthesized using seven different Si/Al ratios (5-11) of the hydrothermal reaction mixtures having chemical composition Al2O3:xSiO2:14Na2O:840H2O to study the impact of Si/Al molar ratio on the water vapour adsorption potential, phase purity, morphology and crystal size of as-synthesized GIS-NaP1 zeolite crystals. The X-ray diffraction (XRD) observations reveal that Si/Al ratio does not affect the phase purity of GIS-NaP1 zeolite samples as high purity GIS-NaP1 zeolite crystals were obtained from all Si/Al ratios. Contrary, Si/Al ratios have remarkable effect on the morphology, crystal size and porosity of GIS-NaP1 zeolite microspheres. Transmission electron microscopy (TEM) evaluations of individual GIS-NaP1 zeolite microsphere demonstrate the characteristic changes in the packaging/arrangement, shape and size of primary nano crystallites. Textural characterisation using water vapour adsorption/desorption, and nitrogen adsorption/desorption data of as-synthesized GIS-NaP1 zeolite predicts the existence of mix-pores i.e., microporous as well as mesoporous character. High water storage capacity 1727.5 cm(3) g(-1) (138.9 wt.%) has been found for as-synthesized GIS-NaP1 zeolite microsphere samples during water vapour adsorption studies. Further, the total water adsorption capacity values for P6 (1299.4 mg g(-1)) and P7 (1388.8 mg g(-1)) samples reveal that these two particular samples can absorb even more water than their own weights.

Structural Evaluation of 5,5'-Bis(naphth-2-yl)-2,2'-bithiophene in Organic Field-Effect Transistors with n-Octadecyltrichlorosilane Coated SiO2 Gate Dielectric.

PubMed

Lauritzen, Andreas E; Torkkeli, Mika; Bikondoa, Oier; Linnet, Jes; Tavares, Luciana; Kjelstrup-Hansen, Jakob; Knaapila, Matti

2018-05-25

We report on the structure and morphology of 5,5'-bis(naphth-2-yl)-2,2'-bithiophene (NaT2) films in bottom-contact organic field-effect transistors (OFETs) with octadecyltrichlorosilane (OTS) coated SiO 2 gate dielectric, characterized by atomic force microscopy (AFM), grazing-incidence X-ray diffraction (GIXRD), and electrical transport measurements. Three types of devices were investigated with the NaT2 thin-film deposited either on (1) pristine SiO 2 (corresponding to higher surface energy, 47 mJ/m 2 ) or on OTS deposited on SiO 2 under (2) anhydrous or (3) humid conditions (corresponding to lower surface energies, 20-25 mJ/m 2 ). NaT2 films grown on pristine SiO 2 form nearly featureless three-dimensional islands. NaT2 films grown on OTS/SiO 2 deposited under anhydrous conditions form staggered pyramid islands where the interlayer spacing corresponds to the size of the NaT2 unit cell. At the same time, the grain size measured by AFM increases from hundreds of nanometers to micrometers and the crystal size measured by GIXRD from 30 nm to more than 100 nm. NaT2 on OTS/SiO 2 deposited under humid conditions also promotes staggered pyramids but with smaller crystals 30-80 nm. The NaT2 unit cell parameters in OFETs differ 1-2% from those in bulk. Carrier mobilities tend to be higher for NaT2 layers on SiO 2 (2-3 × 10 -4 cm 2 /(V s)) compared to NaT2 on OTS (2 × 10 -5 -1 × 10 -4 cm 2 /(V s)). An applied voltage does not influence the unit cell parameters when probed by GIXRD in operando.

Incorporation of high amounts of Na in ringwoodite: Possible implications for transport of alkali into lower mantle

DOE PAGES

Bindi, Luca; Tamarova, Anastasia; Bobrov, Andrey V.; ...

2016-02-02

In this study, we report on the coexistence between Na-rich ringwoodite and bridgmanite in the system MgSiO 3-Na 2CO 3-Al 2O 3 at 24 GPa and 1700 °C. In our experiments ringwoodite incorporates up to 4.4 wt% Na 2O, with Na entering the octahedral site together with Si, according to the mechanism: Mg 2+ → 2/3Na + + 1/3Si 4+. The volume of the unit cell increases along with the Na content. A similar behavior is observed for the unit-cell volume of Na-bearing bridgmanite, although the mechanism of Na incorporation into this structure remains unknown because of the lack ofmore » sufficient crystallographic data. Na 2O is compatible in ringwoodite relative to bridgmanite with a partition coefficient (D) of 5 (+5/-4), but is incompatible in ringwoodite relative to carbonate-rich melt/fluid, with the D value ranging between 0.5 and 0.1. Al is highly enriched in bridgmanite relative to the other coexisting phases. Carbonatitic melt metasomatism in the deep transition zone may lead to local Na-enrichment, and ringwoodite may be an important host for Na in the deep transition zone. Subsequent convection or subduction of metasomatized mantle may lead to enrichment of alkaline elements in the upper and lower mantle.« less

SiASR4, the Target Gene of SiARDP from Setaria italica, Improves Abiotic Stress Adaption in Plants.

PubMed

Li, Jianrui; Dong, Yang; Li, Cong; Pan, Yanlin; Yu, Jingjuan

2016-01-01

Drought and other types of abiotic stresses negatively affect plant growth and crop yields. The abscisic acid-, stress-, and ripening-induced (ASR) proteins play important roles in the protection of plants against abiotic stress. However, the regulatory pathway of the gene encoding this protein remains to be elucidated. In this study, the foxtail millet ( Setaria italica ) ASR gene, SiASR4 , was cloned and characterized. SiASR4 localized to the cell nucleus, cytoplasm and cytomembrane, and the protein contained 102 amino acids, including an ABA/WDS (abscisic acid/water-deficit stress) domain, with a molecular mass of 11.5 kDa. The abundance of SiASR4 transcripts increased after treatment with ABA, NaCl, and PEG in foxtail millet seedlings. It has been reported that the S. italica ABA-responsive DRE-binding protein (SiARDP) binds to a DNA sequence with a CCGAC core and that there are five dehydration-responsive element (DRE) motifs within the SiASR4 promoter. Our analyses demonstrated that the SiARDP protein could bind to the SiASR4 promoter in vitro and in vivo . The expression of SiASR4 increased in SiARDP -overexpressing plants. SiASR4 -transgenic Arabidopsis and SiASR4 -overexpressing foxtail millet exhibited enhanced tolerance to drought and salt stress. Furthermore, the transcription of stress-responsive and reactive oxygen species (ROS) scavenger-associated genes was activated in SiASR4 transgenic plants. Together, these findings show that SiASR4 functions in the adaption to drought and salt stress and is regulated by SiARDP via an ABA-dependent pathway.

Nanocomposite dielectrics in PbO-BaO-Na2O-Nb2O5-SiO2 system with high breakdown strength for high voltage capacitor applications.

PubMed

Zhang, Qingmeng; Luo, Jun; Tang, Qun; Han, Dongfang; Zhou, Yi; Du, Jun

2012-11-01

Nanocomposite dielectrics in 6PbO-4BaO-20Na2O-40Nb2O5-30SiO2 system were prepared via melt-quenching followed by controlled crystallization. X-ray diffraction studies reveal that Pb2Nb2O7, Ba,NaNb5O15, NaNbO3 and PbNb2O6 phases are formed from the as-quenched glass annealed in temperature range from 700 degrees C to 850 degrees C. Ba2NaNb5O15, Pb2Nb2O7 crystallizes at 700 degrees C and then Pb2Nb2O7 disappears at 850 degrees C, while PbNb2O6 and NaNbO3 are formed at 850 degrees C. Microstructural observation shows that the crystallized particles are nanometer-sized and randomly distributed with glass matrix being often found at grain boundaries. The dielectric constant of the nanocomposites formed at different crystallization temperatures shows good frequency and electric field stability. The breakdown strength is slightly decreased when the glass-ceramics thickness is varied from 1 mm to 4 mm. The corresponding energy density could reach 2.96 J/cm3 with a breakdown strength of 58 kV/mm for thickness of 1 mm.

Structural, Electronic and Vibrational Properties of Nax Si 136(0 < x < 24) Clathrates

NASA Astrophysics Data System (ADS)

Higgins, Craig; Nenghabi, Emmanuel; Myles, Charles; Biswas, Koushik; Beekman, Matt; Nolas, George

2011-03-01

CRAIG HIGGINS, EMMANUEL NENGHA BI† , CHARLES W. MYLES, Texas Tech U.; KOUSHIK BISWAS, Oak Ridge National Lab; MATT BEEKMAN, U. of Oregon; GEORGE S. NOLAS, U. of South Florida - Na x Si 136 is a Type II clathrate with important thermoelectric properties. It's face-centered cubic lattice contains polyhedral ``cages'' of silicon atoms with Na atom ``guests'' in the cages. This material is very interesting because powder X-ray diffraction experiments 1 for differing Na content x have shown that, for increasing x in the range 0 Si 28 cages in the unit cell are filled (x = 8) and x is increased further, causing a filling of the Si20 cages, a contrasting lattice expansion results. Using the local density approximation, we have calculated the x dependences of the structural, electronic and vibrational properties of NaxSi136 . Results are presented for the x dependences of the lattice constant, electronic bands, and vibrational modes. Our results for the x dependence of the lattice constant are in agreement with our X-ray data 1 . † Deceased. 1 M. Beekman, E.N. Nenghabi, K. Biswas, C.W. Myles, M. Baitinger, Y. Grin, G.S. Nolas, Inorg. Chem. 49, 5338--5340 (2010).

Absolute Calibration of Si iRMs used for Measurements of Si Paleo-nutrient proxies

NASA Astrophysics Data System (ADS)

Vocke, R. D., Jr.; Rabb, S. A.

2016-12-01

Silicon isotope variations (reported as δ30Si and δ29Si, relative to NBS28) in silicic acid dissolved in ocean waters, in biogenic silica and in diatoms are extremely informative paleo-nutrient proxies. The resolution and comparability of such measurements depend on the quality of the isotopic Reference Materials (iRMs) defining the delta scale. We report new absolute Si isotopic measurements on the iRMs NBS28 (RM 8546 - Silica Sand), Diatomite, and Big Batch using the Avogadro measurement approach and comparing them with prior assessments of these iRMs. The Avogadro Si measurement technique was developed by the German Physikalish-Technische Bundesanstalt (PTB) to provide a precise and highly accurate method to measure absolute isotopic ratios in highly enriched 28Si (99.996%) material. These measurements are part of an international effort to redefine the kg and mole based on the Planck constant h and the Avogadro constant NA, respectively (Vocke et al., 2014 Metrologia 51, 361, Azuma et al., 2015 Metrologia 52 360). This approach produces absolute Si isotope ratio data with lower levels of uncertainty when compared to the traditional "Atomic Weights" method of absolute isotope ratio measurement calibration. This is illustrated in Fig. 1 where absolute Si isotopic measurements on SRM 990, separated by 40+ years of advances in instrumentation, are compared. The availability of this new technique does not say that absolute Si isotopic ratios are or ever will be better for normal Si isotopic measurements when seeking isotopic variations in nature, because they are not. However, by determining the absolute isotopic ratios of all the Si iRM scale artifacts, such iRMs become traceable to the metric system (SI); thereby automatically conferring on all the artifact-based δ30Si and δ29Si measurements traceability to the base SI unit, the mole. Such traceability should help reduce the potential of bias between different iRMs and facilitate the replacement of delta

Fluorine sites in glasses and transparent glass-ceramics of the system Na{sub 2}O/K{sub 2}O/Al{sub 2}O{sub 3}/SiO{sub 2}/BaF{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bocker, Christian, E-mail: christian.bocker@uni-jena.d; Munoz, Francisco; Duran, Alicia

2011-02-15

The transparent glass-ceramics obtained in the silicate system Na{sub 2}O/K{sub 2}O/SiO{sub 2}/BaF{sub 2} show homogeneously dispersed BaF{sub 2} nano crystals with a narrow size distribution. The X-ray diffraction and the nuclear magnetic resonance spectroscopy were applied to glasses and the respective glass-ceramics in order to clarify the crystallization mechanism and the role of fluorine during crystallization. With an increasing annealing time, the concentration and also the number of crystals remain approximately constant. With an increasing annealing temperature, the crystalline fraction increases until a saturation limit is reached, while the number of crystals decreases and the size of the crystals increases.more » Fluoride in the glassy network occurs as Al-F-Ba, Al-F-Na and also as Ba-F structures. The latter are transformed into crystalline BaF{sub 2} and fluoride is removed from the Al-F-Ba/Na bonds. However, some fluorine is still present in the glassy phase after the crystallization. -- Graphical abstract: The X-ray diffraction and the nuclear magnetic resonance spectroscopy were applied to glasses in the silicate system Na{sub 2}O/K{sub 2}O/SiO{sub 2}/BaF{sub 2} and the respective glass-ceramics with BaF{sub 2} nano crystals in order to clarify the crystallization mechanism and the role of fluorine during crystallization. Display Omitted Research highlights: {yields} BaF{sub 2} nano crystals are precipitated from a silicate glass system. {yields} Ostwald ripening during the late stage of crystallization does not occur. {yields} Fluorine in the glass is coordinated with Ba as well as Al together with Ba or Na.{yields} In the glass-ceramics, the residual fluorine is coordinated as Al-F-Ba/Na.« less

The inverse sandwich complex [(K(18-crown-6))2Cp][CpFe(CO)2]--unpredictable redox reactions of [CpFe(CO)2]I with the silanides Na[SiRtBu2] (R = Me, tBu) and the isoelectronic phosphanyl borohydride K[PtBu2BH3].

PubMed

Sänger, Inge; Kückmann, Theresa I; Dornhaus, Franz; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram

2012-06-14

The dimeric iron carbonyl [CpFe(CO)(2)](2) and the iodosilanes tBu(2)RSiI were obtained from the reaction of [CpFe(CO)(2)]I with the silanides Na[SiRtBu(2)] (R = Me, tBu) in THF. By the reactions of [CpFe(CO)(2)]I and Na[SiRtBu(2)] (R = Me, tBu) the disilanes tBu(2)RSiSiRtBu(2) (R = Me, tBu) were additionally formed using more than one equivalent of the silanide. In this context it should be noted that reduction of [CpFe(CO)(2)](2) with Na[SitBu(3)] gives the disilanes tBu(3)SiSitBu(3) along with the sodium ferrate [(Na(18-crown-6))(2)Cp][CpFe(CO)(2)]. The potassium analogue [(K(18-crown-6))(2)Cp][CpFe(CO)(2)] (orthorhombic, space group Pmc2(1)), however, could be isolated as a minor product from the reaction of [CpFe(CO)(2)]I with [K(18-crown-6)][PtBu(2)BH(3)]. The reaction of [CpFe(CO)(2)](2) with the potassium benzophenone ketyl radical and subsequent treatment with 18-crown-6 yielded the ferrate [K(18-crown-6)][CpFe(CO)(2)] in THF at room temperature. The crown ether complex [K(18-crown-6)][CpFe(CO)(2)] was analyzed using X-ray crystallography (orthorhombic, space group Pna2(1)) and its thermal behaviour was investigated.

A surface-mediated siRNA delivery system developed with chitosan/hyaluronic acid-siRNA multilayer films through layer-by-layer self-assembly

NASA Astrophysics Data System (ADS)

Wu, Lijuan; Wu, Changlin; Liu, Guangwan; Liao, Nannan; Zhao, Fang; Yang, Xuxia; Qu, Hongyuan; Peng, Bo; Chen, Li; Yang, Guang

2016-12-01

siRNA delivery remains highly challenging because of its hydrophilic and anionic nature and its sensitivity to nuclease degradation. Effective siRNA loading and improved transfection efficiency into cells represents a key problem. In our study, we prepared Chitosan/Hyaluronic acid-siRNA multilayer films through layer-by-layer self-assembly, in which siRNAs can be effectively loaded and protected. The construction process was characterized by FTIR, 13C NMR (CP/MAS), UV-vis spectroscopy, and atomic force microscopy (AFM). We presented the controlled-release performance of the films during incubation in 1 M NaCl solution for several days through UV-vis spectroscopy and polyacrylamide gel electrophoresis (PAGE). Additionally, we verified the stability and integrity of the siRNA loaded on multilayer films. Finally, the biological efficacy of the siRNA delivery system was evaluated via cells adhesion and gene silencing analyses in eGFP-HEK 293T cells. This new type of surface-mediated non-viral multilayer films may have considerable potential in the localized and controlled-release delivery of siRNA in mucosal tissues, and tissue engineering application.

Framework Stabilization of Si-Rich LTA Zeolite Prepared in Organic-Free Media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Conato, Marlon T.; Oleksiak, Matthew D.; McGrail, B. Peter

2014-10-16

Zeolite HOU-2 (LTA type) is prepared with the highest silica content (Si/Al = 2.1) reported for Na-LTA zeolites without the use of an organic structure-directing agent. The rational design of Si-rich zeolites has the potential to improve their thermal stability for applications in catalysis, gas storage, and selective separations.

Fast Li-Ion Transport in Amorphous Li 2Si 2O 5: An Ab Initio Molecular Dynamics Simulation

DOE PAGES

Lei, Xueling; Wang, Jie; Huang, Kevin

2016-05-03

The present study reports an ab-initio molecular dynamics (AIMD) simulation of ionic diffusion in the amorphous Li 2Si 2O 5 in a temperature range of 573–823 K. The results show that the amorphous Li 2Si 2O 5 is primarily a Li + conductor with negligible O 2- and Si 4+ contributions. The obtained activation energy of 0.47 eV for Li + diffusion is higher than Na + in the analogue amorphous Na 2Si 2O 5, but close to other types of Li + conductors. The predicted Li + conductivity is on the order of 10 -2 S·cm -1 at 623–823more » K. Our simulations also reveal that Li + in the amorphous Li 2Si 2O 5 diffuses via a hopping mechanism between the nearest sites in the channels formed by two adjacent SiO 4 layers.« less

Band gap engineering for graphene by using Na{sup +} ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sung, S. J.; Lee, P. R.; Kim, J. G.

2014-08-25

Despite the noble electronic properties of graphene, its industrial application has been hindered mainly by the absence of a stable means of producing a band gap at the Dirac point (DP). We report a new route to open a band gap (E{sub g}) at DP in a controlled way by depositing positively charged Na{sup +} ions on single layer graphene formed on 6H-SiC(0001) surface. The doping of low energy Na{sup +} ions is found to deplete the π* band of graphene above the DP, and simultaneously shift the DP downward away from Fermi energy indicating the opening of E{sub g}.more » The band gap increases with increasing Na{sup +} coverage with a maximum E{sub g}≥0.70 eV. Our core-level data, C 1s, Na 2p, and Si 2p, consistently suggest that Na{sup +} ions do not intercalate through graphene, but produce a significant charge asymmetry among the carbon atoms of graphene to cause the opening of a band gap. We thus provide a reliable way of producing and tuning the band gap of graphene by using Na{sup +} ions, which may play a vital role in utilizing graphene in future nano-electronic devices.« less

Reactivity of a dearomatised pincer CoIIBr complex with PNCNHC donors: alkylation and Si-H bond activation via metal-ligand cooperation.

PubMed

Simler, Thomas; Choua, Sylvie; Danopoulos, Andreas A; Braunstein, Pierre

2018-05-18

The double aminolysis reaction of [Co{N(SiMe3)2}2] by the salt 1-(6-((dicyclohexylphosphaneyl)methyl)pyridin-2-yl)-3-(2,6-diisopropylphenyl)-1H-imidazol-3-ium bromide, which contains one phosphane, one pyridine and one imidazolium groups, of formula [o-Cy2PCH2(C5H3N)(o-C3H3N2DiPP)]Br and abbreviated as (CyPNpyrCim)Br, was previously shown to afford the Co(ii) complex [Co(CyP*NaCNHC)Br] (1) containing a dearomatised picolyl moiety in the tridentate, anionic donor ligand CyP*NaCNHC (Na = anionic amido, P* = vinylic P donor). We now report that formation of 1 is preceded by an intermediate tentatively assignable to the 5-coordinate Co(ii) complex [Co(CyPNpyrCNHC){N(SiMe3)2}Br] (2). The reaction of 1 with LiCH2SiMe3 afforded the dark purple, paramagnetic [Co(CyP*NaCNHC)CH2SiMe3] (3) with a low spin d7 CoII; the electronic configurations of 1 and 3 were corroborated by EPR spectroscopy. Addition of excess (≥4 equiv.) H2SiPh2 to a solution of 1 gave the diamagnetic [Co(CyP(SiHPh2)NCNHC)Br] (4) following Si-H activation and silylation of the ligand backbone at the α-CHP. Reduction of CoII to CoI by silanes is uncommon.

[Preparation, characterization and upconversion fluorescence of NaYF4 : Yb, Er /graphene oxide nanocomposites].

PubMed

Ji, Tian-Hao; Qie, Nan; Wang, Ji-Mei; Hua, Yong-Yong; Ji, Zhi-Jiang

2013-03-01

NaYF4 : Yb, Er/rGO and SiO2-coated NaYF4 : Yb, Er/rGO nanocomposites can be prepared through "one-pot" and directly mixing preparation routes. Various measurement results show that the NaYF4 : Yb, Er in the nanocomposites exhibits a cubic a-type structure and nanoparticle-like morphology with a diameter range of 30-70 nm; the rGO layers are well-dispersed in the nanocomposites, and whereas the rGO obtained from "one-pot" preparation renders relatively better dispersion. Raman spectra demonstrate that there exists a surface coupling action between the two kinds of nanomaterials, and with the increase in the relative rGO content, such action becomes stronger. UC fluorescence measurement results reveal that the rGO has significantly quenching effect and optical-limiting performance on the UC fluorescence, particularly on the red-emission of the NaYFa : Yb, Er or SiO2-coated NaYF4 : Yb, Er nanoparticles. The red-emission intensity gradually decreases with an increase in the rGO content, but the green-emission shows less change. It should be stressed that, in comparison with NaYF4 : Yb, Er/rGO, with a similar rGO content, the red-emission intensity of SiO2-coated NaYF4 : Yb, Er/rGO decreases much obviously due to a stronger light-absorption caused by part rGO aggregation.

Polysilicic acid gel method derived V2O5/SiO2 composite materials: Synthesis and characterization

NASA Astrophysics Data System (ADS)

Wang, Dawei; Zhou, Linzong; Feng, Xiaofei; Zhao, Ning; Yang, Bin

2017-01-01

The V2O5/SiO2 composite was prepared by a sol-gel method followed a sintering procedure. The low-cost Na2SiO3•9H2O was used as silicon source, while NH4VO3 was used as vanadium source. By adding NH4VO3 to Na2SiO3 solution and adjusting the mixture's pH with saturated (NH4)2SO4 solution the polysilicic acid gel was formed to give a homogeneous gel composite with VO3-well-distributed in it. The gel composite was dried at 100 °C to give the xerogel, then the xerogel was calcined in air to obtain the V2O5/SiO2 composite. The V2O5/SiO2 composites were characterized by SEM analysis, FT-IR spectroscopy and powder X-ray diffractions.

Structural study of Na2O-B2O3-SiO2 glasses from molecular simulations using a polarizable force field.

PubMed

Pacaud, Fabien; Delaye, Jean-Marc; Charpentier, Thibault; Cormier, Laurent; Salanne, Mathieu

2017-10-28

Sodium borosilicate glasses Na 2 O-B 2 O 3 -SiO 2 (NBS) are complex systems from a structural point of view. Three main building units are present: tetrahedral SiO 4 and BO 4 (B IV ) and triangular BO 3 (B III ). One of the salient features of these compounds is the change of the B III /B IV ratio with the alkali concentration, which is very difficult to capture in force fields-based molecular dynamics simulations. In this work, we develop a polarizable force field that is able to reproduce the boron coordination and more generally the structure of several NBS systems in the glass and in the melt. The parameters of the potential are fitted from density functional theory calculations only, in contrast with the existing empirical potentials for NBS systems. This ensures a strong improvement on the transferability of the parameters from one composition to another. Using this new force field, the structure of NBS systems is validated against neutron diffraction and nuclear magnetic resonance experiments. A special focus is given to the distribution of B III /B IV with respect to the composition and the temperature.

Batisite, Na2BaTi2(Si4O12)O2, from Inagli massif, Aldan, Russia: crystal-structure refinement and high-temperature X-ray diffraction study

NASA Astrophysics Data System (ADS)

Zolotarev, Andrey A.; Zhitova, Elena S.; Gabdrakhmanova, Faina A.; Krzhizhanovskaya, Maria G.; Zolotarev, Anatoly A.; Krivovichev, Sergey V.

2017-12-01

The crystal structure of batisite, Na2BaTi2 (Si4O12)O2, from the Inagli massif (Aldan, Yakutia, Russia) was refined to R 1 = 0.032 for 1449 unique observed reflections. The mineral is orthorhombic, Imma, a = 8.0921(5), b = 10.4751(7), c = 13.9054(9) Å, V = 1178.70(13) Å3. The mineral is based upon three-dimensional titanosilicate framework consisting of chains of corner-sharing MO6 octahedra ( M = Ti, Nb, Fe and Zr) and vierer chains of corner-sharing SiO4 tetrahedra. Both chains are parallel to the a axis and are linked by sharing peripheral O atoms. The octahedral chains display disorder of M atoms and bridging O sites related to the out-of-center distortion of octahedral geometry around Ti4+ cations. Electron microprobe analysis gives SiO2 39.46, TiO2 24.66, BaO 21.64, Na2O 7.56, K2O 4.38, Fe2O3 0.90, ZrO2 0.66, Nb2O5 0.36, (H2O)calc 0.58, sum 99.76 wt%. The seven strongest X-ray powder-diffraction lines [listed as d in Å (I) hkl] are: 8.39 (94) 011, 3.386 (56) 031, 3.191 (36) 123, 2.910 (46) 222, 2.896 (100) 024, 2.175 (45) 035, 1.673 (57) 055. The thermal behaviour of batisite in the temperature range from 25 to 950 °C was studied using high-temperature powder X-ray diffraction. The thermal expansion coefficients along the principal crystallographic axes are: α a = 14.4 × 10-6, α b = 8.7 × 10-6, α c = 8.4 × 10-6, α V = 31.5 °C-1 for the temperature range 25-500 °C and α a = 19.6 × 10-6, α b = 9.1 × 10-6, α c = 8.8 × 10-6, α V = 37.6 °C-1 for the temperature range 500-900 °C. The direction of maximal thermal expansion is parallel to the chains of both MO6 octahedra and SiO4 tetrahedra, which can be explained by the stretching of silicate chains due to the increasing thermal vibrations of the Ba2+ cations. At 1000 °C, the titanosilicate framework in batisite collapses with the formation of fresnoite, Ba2TiSi2O7O.

Hydrothermal synthesis, characterization, and thermal properties of alumino silicate azide sodalite, Na8[AlSiO4]6(N3)2

NASA Astrophysics Data System (ADS)

Borhade, A. V.; Wakchaure, S. G.; Dholi, A. G.; Kshirsagar, T. A.

2017-07-01

First time we report the synthesis, structural characterization and thermal behavior of an unusual N3 - containing alumino-silicate sodalite mineral. Azide sodalite, Na8[AlSiO4]6(N3)2 has been synthesized under hydrothermal conditions at 433 K in steel lined Teflon autoclave. The structural and microstructural properties of azide sodalite mineral was characterized by various methods including FT-IR, XRD, SEM, TGA, and MAS NMR. Crystal structure have been refined by Rietveld method in P\\bar 43n space group, indicating that the N3 - sodalite has cubic in lattice. High temperature study was carried out to see the effect of thermal expansion on cell dimension ( a o) of azide sodalite. Thermal behavior of sodalite was also assessed by thermogravimetric method.

Ionic ASi{sub 2}N{sub 3} (A=Li, Na, K and Rb) stabilized by the covalent Si–N bonding: First-principles calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Huijun; Ren, Jiadong, E-mail: jdren@ysu.edu.cn; Wu, Lailei

The structural, elastic and electronic properties of LiSi{sub 2}N{sub 3} and its substitutions by Na, K and Rb were investigated through first-principles computations. The expansion of lattice parameters of ASi{sub 2}N{sub 3} from Li, Na, K to Rb is found to be determined by the bond angle of Si–N1–Si, which suggests a possible way to improve the lithium ionic conductivity by substitutions. ASi{sub 2}N{sub 3} (A=Li, Na, K and Rb) shows the similar elastic behaviors, while the electronic band gap gradually decreases from 5.1 to 3.4 eV from LiSi{sub 2}N{sub 3} to RbSi{sub 2}N{sub 3}. Interestingly, the analysis of electronicmore » structure, crystal orbital Hamiltonian populations and Bader charges shows that the covalence of Si–N bonding is critical for the stability of ASi{sub 2}N{sub 3} phase. Among ASi{sub 2}N{sub 3} phases, there is a relatively high ionicity in NaSi{sub 2}N{sub 3}; the Si–N bond strength in [Si{sub 2}N{sub 3}]{sup −} net for KSi{sub 2}N{sub 3} and RbSi{sub 2}N{sub 3} is comparable to LiSi{sub 2}N{sub 3}, but stronger than NaSi{sub 2}N{sub 3}. - Graphic abstract: Universal trend of structural and electronic properties in alkaline metal silicon nitrides, ASi{sub 2}N{sub 3}, A=Li, Na, K and Rb. - Highlights: • Trend in structure, electronic and mechanical properties of ASi{sub 2}N{sub 3} (A=Li-Rb) were predicted. • Lattice expansion of ASi{sub 2}N{sub 3} induced by the bond angle of Si–N1–Si was found. • Calculated band gap decreases from 5.1 to 3.4 eV from LiSi{sub 2}N{sub 3} to RbSi{sub 2}N{sub 3}. • Covalent Si–N bonding is critical for the stability of ASi{sub 2}N{sub 3}.« less

New manufacturing method for Fe-Si magnetic powders using modified pack-cementation process

NASA Astrophysics Data System (ADS)

Byun, Ji Young; Kim, Jang Won; Han, Jeong Whan; Jang, Pyungwoo

2013-03-01

This paper describes a new method for making Fe-Si magnetic powders using a pack-cementation process. It was found that Fe-Si alloy powders were formed by a reaction of the pack mixture of Fe, Si, NaF, and Al2O3 powders at 900 °C for 24 h under a hydrogen atmosphere. Separation of the Fe-Si alloy powders was dependent on the particle size of the Fe powders in the pack. For small Fe powders, magnetic separation in a medium of strong alkali solution was recommended. But, for relatively larger Fe powders, the Fe-Si alloy powders were easily separated from Al2O3 powders using a magnet in air atmosphere. The Si content in the Fe-Si magnetic powders were easily controlled by changing the weight ratio of Si to (Si+Fe) in the pack.

Synthesis and characterization of metal nanoparticles templated chitosan-SiO2 catalyst for the reduction of nitrophenols and dyes.

PubMed

Ali, Fayaz; Khan, Sher Bahadar; Kamal, Tahseen; Alamry, Khalid A; Bakhsh, Esraa M; Asiri, Abdullah M; Sobahi, Tariq R A

2018-07-15

Different metal nanoparticles (MNPs) templated on chitosan-silica (CH-SiO 2 ) nanocomposite fiber were prepared via simple and fast method of the metal ions uptake by fiber and their subseqent reduction using strong reducing agent. The performance difference of CH-SiO 2 templated with Cu, Co, Ag and Ni nanoparticles for both reduction of 4-nitroaniline (4-NA) and decolorization of congo red (CR) was investigated. The Cu nanoparticles loaded CH-SiO 2 (Cu/CH-SiO 2 ), showed high catalytic efficiencies in the reduction of 4-NA and CR, as compared to other loaded MNP fibers. The apparent rate constants of 6.17 × 10 -3  s -1 and 1.68 × 10 -2  s -1 and turnover frequencies (TOF) of 4.693 h -1 and 3.965 h -1 were observed for the reduction of 4-NA and CR, respectively. In addition, the catalytic activity of Cu/CH-SiO 2 catalyst was also examined and found efficient in the reduction of nitrophenols (2-NP, 3-NP and 4-NP), and other dyes. Thus, Cu/CH-SiO 2 with excellent catalytic activity can also be employed for other applications. Copyright © 2018 Elsevier Ltd. All rights reserved.

Crystallization Behavior and Heat Transfer of Fluorine-Free Mold Fluxes with Different Na2O Concentration

NASA Astrophysics Data System (ADS)

Yang, Jian; Zhang, Jianqiang; Sasaki, Yasushi; Ostrovski, Oleg; Zhang, Chen; Cai, Dexiang; Kashiwaya, Yoshiaki

2016-08-01

In this study, the crystallization behavior and heat transfer of CaO-SiO2-Na2O-B2O3-TiO2-Al2O3-MgO-Li2O fluorine-free mold fluxes with different Na2O contents (5 to 11 mass pct) were studied using single/double hot thermocouple technique (SHTT/DHTT) and infrared emitter technique (IET), respectively. Continuous cooling transformation (CCT) and time-temperature transformation (TTT) diagrams constructed using SHTT showed that crystallization temperature increased and incubation time shortened with the increase of Na2O concentration, indicating an enhanced crystallization tendency. The crystallization process of mold fluxes in the temperature field simulating the casting condition was also investigated using DHTT. X-ray diffraction (XRD) analysis of the quenched mold fluxes showed that the dominant phase changed from CaSiO3 to Ca11Si4B2O22 with the increasing concentration of Na2O. The heat transfer examined by IET showed that the increase of Na2O concentration reduced the responding heat flux when Na2O was lower than 9 mass pct but the further increase of Na2O to 11 mass pct enhanced the heat flux. The correlation between crystallinity and heat transfer was discussed in terms of crystallization tendency and crystal morphology.

Sound velocities of Na0.4Mg0.6Al1.6Si0.4O4 NAL and CF phases to 73 GPa determined by Brillouin scattering method

NASA Astrophysics Data System (ADS)

Dai, Lidong; Kudo, Yuki; Hirose, Kei; Murakami, Motohiko; Asahara, Yuki; Ozawa, Haruka; Ohishi, Yasuo; Hirao, Naohisa

2013-03-01

The sound velocities of two aluminum-rich phases in the lower mantle, hexagonal new Al-rich phase (NAL) and its corresponding high-pressure polymorph orthorhombic Ca-ferrite-type phase (CF), were determined with the Brillouin scattering method in a pressure range from 9 to 73 GPa at room temperature. Both NAL and CF samples have identical chemical composition of Na0.4Mg0.6Al1.6Si0.4O4 (40 % NaAlSiO4-60 % MgAl2O4). Infrared laser annealing in the diamond anvil cell was performed to minimize the stress state of the sample and obtain the high-quality Brillouin spectra. The results show shear modulus at zero pressure G 0 = 121.960 ± 0.087 GPa and its pressure derivative G' = 1.961 ± 0.009 for the NAL phase, and G 0 = 129.653 ± 0.059 GPa and G' = 2.340 ± 0.004 for the CF phase. The zero-pressure shear velocities of the NAL and CF phases are obtained to be 5.601 ± 0.005 km/sec and 5.741 ± 0.001 km/sec, respectively. We also found that shear velocity increases by 2.5 % upon phase transition from NAL to CF at around 40 GPa.

Upregulation of the sodium channel NaVβ4 subunit and its contributions to mechanical hypersensitivity and neuronal hyperexcitability in a rat model of radicular pain induced by local DRG inflammation

PubMed Central

Xie, Wenrui; Tan, Zhi-Yong; Barbosa, Cindy; Strong, Judith A.; Cummins, Theodore R.; Zhang, Jun-Ming

2016-01-01

High frequency spontaneous firing in myelinated sensory neurons plays a key role in initiating pain behaviors in several different models, including the radicular pain model in which the rat lumbar dorsal root ganglia (DRG) are locally inflamed. The sodium channel isoform NaV1.6 contributes to pain behaviors and spontaneous activity in this model. Among all the isoforms in adult DRG, NaV1.6 is the main carrier of TTX-sensitive resurgent Na currents that allow high-frequency firing. Resurgent currents flow after a depolarization or action potential, as a blocking particle exits the pore. In most neurons the regulatory β4 subunit is potentially the endogenous blocker. We used in vivo siRNA mediated knockdown of NaVβ4 to examine its role in the DRG inflammation model. NaVβ4 but not control siRNA almost completely blocked mechanical hypersensitivity induced by DRG inflammation. Microelectrode recordings in isolated whole DRGs showed that NaVβ4 siRNA blocked the inflammation-induced increase in spontaneous activity of Aβ neurons, and reduced repetitive firing and other measures of excitability. NaVβ4 was preferentially expressed in larger diameter cells; DRG inflammation increased its expression and this was reversed by NaVβ4 siRNA, based on immunohistochemistry and Western blotting. NaVβ4 siRNA also reduced immunohistochemical NaV1.6 expression. Patch clamp recordings of TTX-sensitive Na currents in acutely cultured medium diameter DRG neurons showed that DRG inflammation increased transient and especially resurgent current; effects blocked by NaVβ4 siRNA. NaVβ4 may represent a more specific target for pain conditions that depend on myelinated neurons expressing NaV1.6. PMID:26785322

Quasi-solid state rechargeable Na-CO2 batteries with reduced graphene oxide Na anodes.

PubMed

Hu, Xiaofei; Li, Zifan; Zhao, Yaran; Sun, Jianchao; Zhao, Qing; Wang, Jianbin; Tao, Zhanliang; Chen, Jun

2017-02-01

Na-CO 2 batteries using earth-abundant Na and greenhouse gas CO 2 are promising tools for mobile and stationary energy storage, but they still pose safety risks from leakage of liquid electrolyte and instability of the Na metal anode. These issues result in extremely harsh operating conditions of Na-CO 2 batteries and increase the difficulty of scaling up this technology. We report the development of quasi-solid state Na-CO 2 batteries with high safety using composite polymer electrolyte (CPE) and reduced graphene oxide (rGO) Na anodes. The CPE of PVDF-HFP [poly(vinylidene fluoride- co -hexafluoropropylene)]-4% SiO 2 /NaClO 4 -TEGDME (tetraethylene glycol dimethyl ether) has high ion conductivity (1.0 mS cm -1 ), robust toughness, a nonflammable matrix, and strong electrolyte-locking ability. In addition, the rGO-Na anode presents fast and nondendritic Na + plating/stripping (5.7 to 16.5 mA cm -2 ). The improved kinetics and safety enable the constructed rGO-Na/CPE/CO 2 batteries to successfully cycle in wide CO 2 partial pressure window (5 to 100%, simulated car exhaust) and especially to run for 400 cycles at 500 mA g -1 with a fixed capacity of 1000 mA·hour g -1 in pure CO 2 . Furthermore, we scaled up the reversible capacity to 1.1 A·hour in pouch-type batteries (20 × 20 cm, 10 g, 232 Wh kg -1 ). This study makes quasi-solid state Na-CO 2 batteries an attractive prospect.

Quasi–solid state rechargeable Na-CO2 batteries with reduced graphene oxide Na anodes

PubMed Central

Hu, Xiaofei; Li, Zifan; Zhao, Yaran; Sun, Jianchao; Zhao, Qing; Wang, Jianbin; Tao, Zhanliang; Chen, Jun

2017-01-01

Na-CO2 batteries using earth-abundant Na and greenhouse gas CO2 are promising tools for mobile and stationary energy storage, but they still pose safety risks from leakage of liquid electrolyte and instability of the Na metal anode. These issues result in extremely harsh operating conditions of Na-CO2 batteries and increase the difficulty of scaling up this technology. We report the development of quasi–solid state Na-CO2 batteries with high safety using composite polymer electrolyte (CPE) and reduced graphene oxide (rGO) Na anodes. The CPE of PVDF-HFP [poly(vinylidene fluoride-co-hexafluoropropylene)]–4% SiO2/NaClO4–TEGDME (tetraethylene glycol dimethyl ether) has high ion conductivity (1.0 mS cm−1), robust toughness, a nonflammable matrix, and strong electrolyte-locking ability. In addition, the rGO-Na anode presents fast and nondendritic Na+ plating/stripping (5.7 to 16.5 mA cm−2). The improved kinetics and safety enable the constructed rGO-Na/CPE/CO2 batteries to successfully cycle in wide CO2 partial pressure window (5 to 100%, simulated car exhaust) and especially to run for 400 cycles at 500 mA g−1 with a fixed capacity of 1000 mA·hour g−1 in pure CO2. Furthermore, we scaled up the reversible capacity to 1.1 A·hour in pouch-type batteries (20 × 20 cm, 10 g, 232 Wh kg−1). This study makes quasi–solid state Na-CO2 batteries an attractive prospect. PMID:28164158

Ehimeite, NaCa2Mg4CrSi6Al2O22(OH)2: The first Cr-dominant amphibole from the Akaishi Mine, Higashi-Akaishi Mountain, Ehime Prefecture, Japan

NASA Astrophysics Data System (ADS)

Nishio-Hamane, Daisuke; Ohnishi, Masayuki; Minakawa, Tetsuo; Yamaura, Jun-Ichi; Saito, Shohei; Kadota, Ryo

The first Cr-dominant amphibole, ehimeite, ideally NaCa2Mg4CrSi6Al2O22(OH)2, has been found in a chromitite deposit in the Akaishi Mine, Higashi-Akaishi Mountain, Ehime Prefecture, Japan. Ehimeite occurs as prismatic crystals of up to 1.5 cm in length and 0.5 cm in width and is found in association with chromite, kämmererite (Cr-rich clinochlore), Cr-poor clinochlore, phlogopite, and uvarovite. It is transparent, emerald green to pale green in color with pale green streaks, and has a vitreous luster. Optically, it is biaxial positive with α = 1.644(2), β = 1.647(2), γ = 1.659(2), and 2Vcalc. = 53°. It has a Mohs’ hardness of 6 and densities of 3.08(3) g/cm3 (measured using heavy liquids) and 3.121 g/cm3 (calculated from powder diffraction data and the empirical formula). The empirical formula is (Na0.88K0.07)Σ0.95(Ca1.89Na0.02Mg0.09)Σ2.00(Mg4.03Cr0.62Al0.19Fe3+0.07Fe2+0.07Ti0.03)Σ5.00(Si6.14Al1.86)Σ8.00O22(OH)2 on the basis of O = 22 and OH = 2, and ehimeite mainly forms a solid solution, NaCa2Mg4(Cr, Al)Si6Al2O22(OH)2, with pargasite. It has a monoclinic unit cell with a = 9.9176(14) Å, b = 18.0009(12) Å, c = 5.2850(7) Å, β = 105.400(7)°, V = 909.6 (17) Å3, and Z = 2, and it belongs to the space group C2/m, as refined from powder XRD data. The eight strongest lines in the powder XRD pattern [d (Å), I/I0, hkl] are (3.370, 58, 150), (2.932, 43, 221), (2.697, 81, 151), (2.585, 50, 061), (2.546, 100, 202), (2.346, 42, 351), (2.156, 35, 261), and (1.514, 55, 263). The crystal structure has been refined to R1 = 0.0488 using single-crystal XRD data. It has been concluded that ehimeite in the Akaishi Mine was formed by the reaction of chromitite and the metamorphic fluid in the retrograde stage of serpentinization during the Sanbagawa metamorphism.

Modifier cation effects on 29Si nuclear shielding anisotropies in silicate glasses

NASA Astrophysics Data System (ADS)

Baltisberger, Jay H.; Florian, Pierre; Keeler, Eric G.; Phyo, Pyae A.; Sanders, Kevin J.; Grandinetti, Philip J.

2016-07-01

We have examined variations in the 29Si nuclear shielding tensor parameters of SiO4 tetrahedra in a series of seven alkali and alkaline earth silicate glass compositions, Cs2O · 4.81 SiO2, Rb2O · 3.96 SiO2, Rb2O · 2.25 SiO2, K2O · 4.48 SiO2, Na2O · 4.74 SiO2, BaO · 2.64 SiO2, and SrO · 2.36 SiO2, using natural abundance 29Si two-dimensional magic-angle flipping (MAF) experiments. Our analyses of these 2D spectra reveal a linear dependence of the 29Si nuclear shielding anisotropy of Q(3) sites on the Si-non-bridging oxygen bond length, which in turn depends on the cation potential and coordination of modifier cations to the non-bridging oxygen. We also demonstrate how a combination of Cu2+ as a paramagnetic dopant combined with echo train acquisition can reduce the total experiment time of 29Si 2D NMR measurements by two orders of magnitude, enabling higher throughput 2D NMR studies of glass structure.

Modifier cation effects on (29)Si nuclear shielding anisotropies in silicate glasses.

PubMed

Baltisberger, Jay H; Florian, Pierre; Keeler, Eric G; Phyo, Pyae A; Sanders, Kevin J; Grandinetti, Philip J

2016-07-01

We have examined variations in the (29)Si nuclear shielding tensor parameters of SiO4 tetrahedra in a series of seven alkali and alkaline earth silicate glass compositions, Cs2O·4.81 SiO2, Rb2O·3.96 SiO2, Rb2O·2.25 SiO2, K2O·4.48 SiO2, Na2O·4.74 SiO2, BaO·2.64 SiO2, and SrO·2.36 SiO2, using natural abundance (29)Si two-dimensional magic-angle flipping (MAF) experiments. Our analyses of these 2D spectra reveal a linear dependence of the (29)Si nuclear shielding anisotropy of Q((3)) sites on the Si-non-bridging oxygen bond length, which in turn depends on the cation potential and coordination of modifier cations to the non-bridging oxygen. We also demonstrate how a combination of Cu(2+) as a paramagnetic dopant combined with echo train acquisition can reduce the total experiment time of (29)Si 2D NMR measurements by two orders of magnitude, enabling higher throughput 2D NMR studies of glass structure. Copyright © 2016 Elsevier Inc. All rights reserved.

Oxygen adsorption on a Si(1 0 0) substrate: effects on secondary emission properties

NASA Astrophysics Data System (ADS)

Vogan, W. S.; Champion, R. L.

2001-10-01

Secondary anion and electron yields resulting from low-energy (50-500 eV) Na + bombardment of an oxygen-adsorbed Si(1 0 0) substrate have been measured as a function of oxygen exposure and of Na + impact energy. Adsorbate coverage ranges from none to over half a monolayer. The dominant sputtered anion was found to be O - with SiO 2- being a minor constituent. Kinetic energy distributions of the secondary anions and electrons were also measured. The presence of an adsorbate was observed to enhance secondary anion emission to a significant degree whereas secondary electron emission was minor, in sharp contrast to what has been observed for metallic substrates. The mechanism for secondary emission appears to involve electronic excitation of Si xO -; it is suggested that electron emission is governed by a process similar to Penning ionization, in which a vacancy created by the excitation of Si xO - may be filled by an electron from the valence band. The variation in the work function as oxygen accumulated on the surface was observed to be small.

Electron Microprobe Measurements of Nitrogen in SiC

NASA Astrophysics Data System (ADS)

Ross, K.

2007-12-01

Methods have been developed for the measurement of low abundances of nitrogen in SiC films. These techniques were developed for measurements of synthetic thin-film samples prepared by materials scientists but the technique can also be applied to natural SiC grains in meteorites. One problem associated with measuring nitrogen at low abundance levels is the low count rates due to strong absorption of the nitrogen signal in the matrix material. In thin film samples, (SiC deposited on elemental Si) it is preferable to limit x-ray production and emission to the overlayer. This eliminates the need for data reduction using thin-film methods. Thin film data reduction is inevitably less accurate than bulk material data reduction methods. In order to limit x-ray emission to the film layer, data has been collected at 5 kV and 3.5 kV accelerating voltage (depending on film thickness estimates provided by scientists who prepared these samples). These low beam energies also promote production of x-rays in the shallow region of the samples, and this minimizes strong absorption, leading to more abundant nitrogen x-ray detection, which improves counting statistics and overall precision. The CASINO monte carlo modeling program was used to model electron penetration and x-ray production as a function of beam energy and depth in the sample in order to ensure that the excited volume is limited to the film. The beam was set to 200 nA beam current. This high beam current also improves counting statistics by providing more abundant count rates. One drawback of these beam conditions is the limited spatial resolution provided. In our Cameca probe, a 5 kV, 200 nA beam is approximately 10 microns in diameter. SiC samples and standard were not carbon coated (they are conducting). AlN was used as the nitrogen standard. These films contained 0.3 to 0.7 wt. per cent nitrogen, with analytical uncertainties in the range of 10-20 per cent relative errors. The Si:C ratios were very near 1

Impurity-doped Si10 cluster: Understanding the structural and electronic properties from first-principles calculations

NASA Astrophysics Data System (ADS)

Majumder, Chiranjib; Kulshreshtha, S. K.

2004-12-01

Structural and electronic properties of metal-doped silicon clusters ( MSi10 , M=Li , Be, B, C, Na, Mg, Al, and Si) have been investigated via ab initio molecular dynamics simulation under the formalism of the density functional theory. The exchange-correlation energy has been calculated using the generalized gradient approximation method. Several stable isomers of MSi10 clusters have been identified based on different initial configurations and their relative stabilities have been analyzed. From the results it is revealed that the location of the impurity atom depends on the nature of interaction between the impurity atom and the host cluster and the size of the impurty atom. Whereas Be and B atoms form stable isomers, the impurity atom being placed at the center of the bicapped tetragonal antiprism structure of the Si10 cluster, all other elements diffuse outside the cage of Si10 cluster. Further, to understand the stability and the chemical bonding, the LCAO-MO based all electron calculations have been carried out for the lowest energy isomers using the hybrid B3LYP energy functional. Based on the interaction energy of the M atoms with Si10 clusters it is found that p-p interaction dominates over the s-p interaction and smaller size atoms interact more strongly. Based on the binding energy, the relative stability of MSi10 clusters is found to follow the order of CSi10>BSi10>BeSi10>Si11>AlSi10>LiSi10>NaSi10>MgSi10 , leading one to infer that while the substitution of C, B and Be enhances the stability of the Si11 cluster, others have an opposite effect. The extra stability of the BeSi10 clusters is due to its encapsulated close packed structure and large energy gap between the HOMO and LUMO energy levels.

Atomic-scale models of early-stage alkali depletion and SiO2-rich gel formation in bioactive glasses.

PubMed

Tilocca, Antonio

2015-01-28

Molecular dynamics simulations of Na(+)/H(+)-exchanged 45S5 Bioglass® models reveal that a large fraction of the hydroxyl groups introduced into the proton-exchanged, hydrated glass structure do not initially form covalent bonds with Si and P network formers but remain free and stabilised by the modifier metal cations, whereas substantial Si-OH and P-OH bonding is observed only at higher Na(+)/H(+) exchange levels. The strong affinity between free OH groups and modifier cations in the highly fragmented 45S5 glass structure appears to represent the main driving force for this effect. This suggests an alternative direct route for the formation of a repolymerised silica-rich gel in the early stages of the bioactive mechanism, not considered before, which does not require sequential repeated breakings of Si-O-Si bonds and silanol condensations.

Water-Soluble Epitaxial NaCl Thin Film for Fabrication of Flexible Devices.

PubMed

Lee, Dong Kyu; Kim, Sungjoo; Oh, Sein; Choi, Jae-Young; Lee, Jong-Lam; Yu, Hak Ki

2017-08-18

We studied growth mechanisms of water-soluble NaCl thin films on single crystal substrates. Epitaxial growth of NaCl(100) on Si(100) and domain-matched growth of NaCl(111) on c-sapphire were obtained at thicknesses below 100 nm even at room temperature from low lattice mismatches in both cases. NaCl thin film, which demonstrates high solubility selectivity for water, was successfully applied as a water-soluble sacrificial layer for fabrication of several functional materials, such as WO 3 nano-helix and Sn doped In 2 O 3 nano-branches.

Sodium-induced ordering of the benzoate species on Si(100)-2×1: a combined HREELS, XPS and NEXAFS study

NASA Astrophysics Data System (ADS)

Bitzer, T.; Richardson, N. V.; Reiss, S.; Wühn, M.; Wöll, Ch.

2000-06-01

The structure of benzoate on Na/Si(100)-2×1 has been studied by high resolution electron energy loss spectroscopy, X-ray photoelectron spectroscopy and near edge X-ray adsorption fine structure spectroscopy. At room temperature, benzoic acid (C 6H 5COOH) chemisorbs on Na/Si(100)-2×1 through a cleavage of the OH bond in the carboxylic group. The benzoate molecules formed are bonded exclusively to the sodium atoms in a bidentate coordination, in which the oxygen atoms are equivalent. At room temperature, benzoate saturation on Na/Si(100)-2×1 is reached at a coverage of one benzoate species for each Na atom or silicon dimer. At this coverage, the molecules are tilted in polar direction by 62°±4° to the surface plane and azimuthally rotated by 41°±4° with respect to the [01 1] surface azimuth. We propose an adsorbate structure, in which the benzoate molecules are oriented parallel to each other in densely packed rows.

Electrical properties of epitaxial 3C- and 6H-SiC p-n junction diodes produced side-by-side on 6H-SiC substrates

NASA Technical Reports Server (NTRS)

Neudeck, Philip G.; Larkin, David J.; Starr, Jonathan E.; Powell, J. Anthony; Salupo, Carl S.; Matus, Lawrence G.

1994-01-01

3C-SiC (beta-SiC) and 6H-SiC p-n junction diodes have been fabricated in regions of both 3C-SiC and 6H-SiC epitaxial layers which were grown side-by-side on low-tilt-angle 6H-SiC substrates via a chemical vapor deposition (CVD) process. Several runs of diodes exhibiting state-of-the-art electrical characteristics were produced, and performance characteristics were measured and compared as a function of doping, temperature, and polytype. The first 3C-SiC diodes which rectify to reverse voltages in excess of 300 V were characterized, representing a six-fold blocking voltage improvement over experimental 3C-SiC diodes produced by previous techniques. When placed under sufficient forward bias, the 3C-SiC diodes emit significantly bright green-yellow light while the 6H-SiC diodes emit in the blue-violet. The 6H-SiC p-n junction diodes represent the first reported high-quality 6H-SiC devices to be grown by CVD on very low-tilt-angle (less than 0.5 deg off the (0001) silicon face) 6H substrates. The reverse leakage current of a 200 micron diameter circular device at 1100 V reverse bias was less than 20 nA at room temperature, and excellent rectification characteristics were demonstrated at the peak characterization temperature of 400 C.

Following electron impact excitation of single (N, O, F, Ne, Na, Mg, Al, Si) atom L subshells ionization cross section calculations by using Lotz's equation

NASA Astrophysics Data System (ADS)

Aydinol, Mahmut

2017-02-01

L shell and L subshells ionization cross sections σL and σLi (i = 1, 2, 3) following electron impact on (N,O, F, Ne, Na, Mg, Al, Si) atoms calculated. By using Lotz' equation for nonrelativistic cases in Matlab σL and σLi cross section values obtained for ten electron impact(Eo) values in the range of ELiNa 8ELi) for each atom. Starting from Eo=ELi(each subshell ionization threshold energy), σL and σLi are increasing rapidly with Eo. For a fixed Eo value(≈3.ELi), while Z value increases from 7≤Z≤14 σL and σLi decrease. Results show that for smaller values of Eo(close to ELi), x-ray yields formation of Li(i=1,2,3) subshells decreases while competing other yields are increase. Results may help to understand similar findings which obtained from other electron impact excitation of L shell σL and subshells σLi studies for single atoms.

SiGe nano-heteroepitaxy on Si and SiGe nano-pillars.

PubMed

Mastari, M; Charles, M; Bogumilowicz, Y; Thai, Q M; Pimenta-Barros, P; Argoud, M; Papon, A M; Gergaud, P; Landru, D; Kim, Y; Hartmann, J M

2018-07-06

In this paper, SiGe nano-heteroepitaxy on Si and SiGe nano-pillars was investigated in a 300 mm industrial reduced pressure-chemical vapour deposition tool. An integration scheme based on diblock copolymer patterning was used to fabricate nanometre-sized templates for the epitaxy of Si and SiGe nano-pillars. Results showed highly selective and uniform processes for the epitaxial growth of Si and SiGe nano-pillars. 200 nm thick SiGe layers were grown on Si and SiGe nano-pillars and characterised by atomic force microscopy, x-ray diffraction and transmission electron microscopy. Smooth SiGe surfaces and full strain relaxation were obtained in the 650 °C-700 °C range for 2D SiGe layers grown either on Si or SiGe nano-pillars.

Synthesis and characterization of P-doped amorphous and nanocrystalline Si

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Jialing; Ganguly, Shreyashi; Sen, Sabyasachi

Intentional impurity doping lies at the heart of the silicon technology. The dopants provide electrons or holes as necessary carriers of the electron current and can significantly modify the electric, optical and magnetic properties of the semiconductors. P-doped amorphous Si (a-Si) was prepared by a solid state and solution metathesis reaction of a P-doped Zintl phase precursor, NaSi 0.99P 0.01, with an excess of NH 4X (X = Br, I). After the salt byproduct was removed from the solid state reaction, the a-Si material was annealed at 600 °C under vacuum for 2 h, resulting in P-doped nanocrystalline Si (nc-Si)more » material embedded in a-Si matrix. The product from the solution reaction also shows a combination of nc-Si embedded in a-Si; however, it was fully converted to nc-Si after annealing under argon at 650 °C for 30 min. Powder X-ray diffraction (XRD) and high resolution transmission electron microscopy (HRTEM) show the amorphous nature of the P-doped Si material before the annealing and the nanocrystallinity after the annealing. Fourier Transform Infrared (FTIR) spectroscopy shows that the P-doped Si material surface is partially capped by H and O or with solvent. Finally, electron microprobe wavelength dispersive spectroscopy (WDS) as well as energy dispersive spectroscopy (EDS) confirm the presence of P in the Si material. 29Si and 31P solid state magic-angle-spinning nuclear magnetic resonance (MAS NMR) spectroscopy data provide the evidence of P doping into the Si structure with the P concentration of approximately 0.07 at.%.« less

Spectroscopic properties of Sm3+ and V4+ ions in Na2O-SiO2-ZrO2 glasses

NASA Astrophysics Data System (ADS)

Neeraja, K.; Rao, T. G. V. M.; Kumar, A. Rupesh; Uma Lakshmi, V.; Veeraiah, N.; Rami Reddy, M.

2013-12-01

Na2O-SiO2-ZrO2 glasses of Sm3+ ions with and without V2O5 are characterized by spectroscopic and optical properties. The XRD and EDS spectra of the glass samples reveal an amorphous nature with different compositions within the glass matrix. The Infrared and Raman spectral studies are carried out and the existence of conventional structural units are analyzed in the glass network. The ESR spectra of the glass samples have indicating that a considerable proportion of vanadium ion exists in V4+ state. The optical absorption spectra of these glasses are recorded at room temperature, from the measured intensities of various absorption bands the Judd-Ofelt parameters Ω2, Ω4 and Ω6 are calculated. The photo-luminescence spectra recorded with excited wavelength 400 nm, five emission bands are observed; in this the energy transfer probability takes place between Sm3+ and V4+ ions.

Magnetoresistances and magnetic entropy changes associated with negative lattice expansions in NaZn13-type compounds LaFeCoSi

NASA Astrophysics Data System (ADS)

Hu, Feng-Xia; Qian, Xiao-Ling; Wang, Guang-Jun; Sun, Ji-Rong; Shen, Bao-Gen; Cheng, Zhao-Hua; Gao, Ju

2005-11-01

Magnetoresistances and magnetic entropy changes in NaZn13-type compounds La(Fe1-xCox)11.9Si1.1 (x=0.04, 0.06 and 0.08) with Curie temperatures of 243 K, 274 K and 301 K, respectively, are studied. The ferromagnetic ordering is accompanied by a negative lattice expansion. Large magnetic entropy changes in a wide temperature range from ~230 K to ~320 K are achieved. Raising Co content increases the Curie temperature but weakens the magnetovolume effect, thereby causing a decrease in magnetic entropy change. These materials exhibit a metallic character below TC, whereas the electrical resistance decreases abruptly and then recovers the metal-like behaviour above TC. Application of a magnetic field retains the transitions via increasing the ferromagnetic ordering temperature. An isothermal increase in magnetic field leads to an increase in electrical resistance at temperatures near but above TC, which is a consequence of the field-induced metamagnetic transition from a paramagnetic state to a ferromagnetic state.

Synthesis of Long-T1 Silicon Nanoparticles for Hyperpolarized 29Si Magnetic Resonance Imaging

PubMed Central

Atkins, Tonya M.; Cassidy, Maja C.; Lee, Menyoung; Ganguly, Shreyashi; Marcus, Charles M.; Kauzlarich, Susan M.

2013-01-01

We describe the synthesis, materials characterization and dynamic nuclear polarization (DNP) of amorphous and crystalline silicon nanoparticles for use as hyperpolarized magnetic resonance imaging (MRI) agents. The particles were synthesized by means of a metathesis reaction between sodium silicide (Na4Si4) and silicon tetrachloride (SiCl4) and were surface functionalized with a variety of passivating ligands. The synthesis scheme results in particles of diameter ~10 nm with long size-adjusted 29Si spin lattice relaxation (T1) times (> 600 s), which are retained after hyperpolarization by low temperature DNP. PMID:23350651

Compositional and microstructural design of highly bioactive P2O5-Na2O-CaO-SiO2 glass-ceramics.

PubMed

Peitl, Oscar; Zanotto, Edgar D; Serbena, Francisco C; Hench, Larry L

2012-01-01

Bioactive glasses having chemical compositions between 1Na(2)O-2CaO-3SiO(2) (1N2C3S) and 1.5Na(2)O-1.5CaO-3SiO(2) (1N1C2S) containing 0, 4 and 6 wt.% P(2)O(5) were crystallized through two stage thermal treatments. By carefully controlling these treatments we separately studied the effects on the mechanical properties of two important microstructural features not studied before, crystallized volume fraction and crystal size. Fracture strength, elastic modulus and indentation fracture toughness were measured as a function of crystallized volume fraction for a constant crystal size. Glass-ceramics with a crystalline volume fraction between 34% and 60% exhibited a three-fold improvement in fracture strength and an increase of 40% in indentation fracture toughness compared with the parent glass. For the optimal crystalline concentration (34% and 60%) these mechanical properties were then measured for different grain sizes, from 5 to 21 μm. The glass-ceramic with the highest fracture strength and indentation fracture toughness was that with 34% crystallized volume fracture and 13 μm crystals. Compared with the parent glass, the average fracture strength of this glass-ceramic was increased from 80 to 210 MPa, and the fracture toughness from 0.60 to 0.95 MPa.m(1/2). The increase in indentation fracture toughness was analyzed using different theoretical models, which demonstrated that it is due to crack deflection. Fortunately, the elastic modulus E increased only slightly; from 60 to 70 GPa (the elastic modulus of biomaterials should be as close as possible to that of cortical bone). In summary, the flexural strength of our best material (215 MPa) is significantly greater than that of cortical bone and comparable with that of apatite-wollastonite (A/W) bioglass ceramics, with the advantage that it shows a much lower elastic modulus. These results thus provide a relevant guide for the design of bioactive glass-ceramics with improved microstructure. Copyright © 2011 Acta

Electrodeposition of r-GO/SiC nano-composites on Magnesium and its Corrosion Behavior in Aqueous Electrolyte

NASA Astrophysics Data System (ADS)

Kavimani, V.; K, Soorya Prakash; R, Rajesh; Rammasamy, Devaraj; Selvaraj, Nivas Babu; Yang, Tao; Prabakaran, Balasubramanian; Jothi, Sathiskumar

2017-12-01

In this paper a detailed investigation for corrosion behavior of magnesium substrate electrodeposited differently by nanoparticles like Reduced Graphene Oxide (r-GO synthesized through Modified Hummer's Method), Silicon Carbide (SiCsbnd mechanically alloyed) and also r-GO/SiC nanocomposites (dispersed through ultrasonication process) as coating materials for varying time period was done. Synthesized nanocomposite was characterized through various physio-chemical techniques and confirmation of the same was carried out. Surface morphology of the developed set of specimens was scrutinized through SEM and EDAX which establishes a clean surface coating with minimal defects attainment through electro deposition technique. Electrochemical corrosion behavior for the magnesium substrates coated with r-GO, SiC, r-GO/SiC for 5 and 10 min coating time period was conceded over in 0.1 M of NaCl and Na2SO4 aqueous solution using Tafel polarization and then compared with a pure magnesium substrate. r-GO/SiC nanocomposite coated magnesium substrate showcased a drastic breakthrough in corrosion resistance when compared with other set of specimens in aqueous medium. Delamination behavior for the same set of specimens was carried and the r-GO/SiC nanocomposite coated magnesium exposed a minimum delamination area accounting to the hydrophobic property of graphene and the binding effect of SiC nano particles.

Modification of thermal and electronic properties of bilayer graphene by using slow Na+ ions

NASA Astrophysics Data System (ADS)

Ryu, Mintae; Lee, Paengro; Kim, Jingul; Park, Heemin; Chung, Jinwook

2016-12-01

Bilayer graphene (BLG) has an extensive list of industrial applications in graphene-based nanodevices such as energy storage devices, flexible displays, and thermoelectric devices. By doping slow Na+ ions on Li-intercalated BLG, we find significantly improved thermal and electronic properties of BLG by using angle-resolved photoemission and high-resolution core level spectroscopy (HRCLS) with synchrotron photons. Our HRCLS data reveal that the adsorbed Na+ ions on a BLG produced by Li-intercalation through single layer graphene (SLG) spontaneously intercalate below the BLG, and substitute Li atoms to form Na-Si bonds at the SiC interface while preserving the same phase of BLG. This is in sharp contrast with no intercalation of Na+ ions on SLG though neutral Na atoms intercalate. The Na+-induced BLG is found to be stable upon heating up to T = 400 °C, but returns to SLG when heated at T d = 500 °C. The evolution of the π-bands upon doping the Na+ ions followed by thermal annealing shows that the carrier concentration of the π-band may be artificially controlled without damaging the Dirac nature of the π-electrons. The doubled desorption temperature from that (T d = 250 °C) of the Na-intercalated SLG together with the electronic stability of the Na+-intercalated BLG may find more practical and effective applications in advancing graphene-based thermoelectric devices and anode materials for rechargeable batteries.

Sensitivity differences between microporous NaY and hierarchical ZSM-5 modified electrodes as ammonia gas sensor

NASA Astrophysics Data System (ADS)

Lisnawati, E.; Agustin, I.; Krisnandi, Y. K.; Triyono, D.

2017-07-01

The hierarchical ZSM-5 had been successfully synthesized with double template using a hydrotermal method and microporous NaY zeolite had been successfully synthesized using a sol-gel method. XRD pattern confirmed hat the as-synthesized materials were ZSM-5 and NaY zeolites. SEM images of ZSM-5 showed that it has a hexagonal shape, which can be called coffin type,and rough surface. The EDS elemental analysis gives Si/Al molar ratio of 24.2. On the other hand, NaY crystals were intergrown in cuboid shapes with Si/Al molar ratio of 2. ZSM-5 and NaY were coated onto the surface of Interdigitated Capacitor (IDC) pattern made of gold/silver/quartz through spin coating method. IDC, ZSM-5/IDC and NaY/IDC were tested using Electrochemical Impedance Spectroscopy (EIS) method. The composite has different sensitivity in range concentration of ammonia 20-300 ppm. IDC has no significant effect of the presence of various concentrations, NaY/IDC and ZSM-5/IDC composite have frequency 100 Hz with R2 = 0.8312 and R2 = 0.8037. The NaY/IDC has higher sensitivity compared toZSM-5/IDC, this could be caused by the higher polarity of NaY compared to ZSM-5 to attract ammonia.

Preparation of Al-Si Master Alloy by Electrochemical Reduction of Volcanic Rock in Cryolite Molten Salt

NASA Astrophysics Data System (ADS)

Liu, Aimin; Shi, Zhongning; Xu, Junli; Hu, Xianwei; Gao, Bingliang; Wang, Zhaowen

2016-06-01

Volcanic rock found in the Longgang Volcano Group in Jilin Province of China has properties essentially similar to Apollo lunar soils and previously prepared lunar soil simulants, such as Johnson Space Center Lunar simulant and Minnesota Lunar simulant. In this study, an electrochemical method of preparation of Al-Si master alloy was investigated in 52.7 wt.%NaF-47.3 wt.%AlF3 melt adding 5 wt.% volcanic rock at 1233 K. The cathodic electrochemical process was studied by cyclic voltammetry, and the results showed that the cathodic reduction of Si(IV) is a two-step reversible diffusion-controlled reaction. Si(IV) is reduced to Si(II) by two electron transfers at -1.05 V versus platinum quasi-reference electrode in 52.7 wt.%NaF-47.3 wt.%AlF3 molten salt adding 5 wt.% volcanic rock, while the reduction peak at -1.18 V was the co-deposition of aluminum and silicon. In addition, the cathodic product obtained by galvanostatic electrolysis for 4 h was analyzed by means of x-ray diffraction, x-ray fluorescence, scanning electron microscopy and energy dispersive spectrometry. The results showed that the phase compositions of the products are Al, Si, Al5FeSi, and Al3.21Si0.47, while the components are 90.5 wt.% aluminum, 4.4 wt.% silicon, 1.9 wt.% iron, and 0.2 wt.% titanium.

A gamma and neutron phoswich read out with SiPM for SPRD

NASA Astrophysics Data System (ADS)

Huang, Tuchen; Fu, Qibin; Yuan, Cenxi; Lin, Shaopeng

2018-02-01

A gamma and neutron phoswich was developed for spectroscopic personal radiation detectors (SPRDs). It consisted of a Φ25 × 25 mm NaI(Tl) crystal for gamma detection and a Φ25 × 3 mm LiI(Eu) crystal for neutron detection. The phoswich was read out by 8 × 8 ch SiPM array (24 × 24 mm2). Radiations in NaI(Tl) and LiI(Eu) were discriminated by pulse shape, while gammas and neutrons in LiI(Eu) were separated by pulse amplitude. For the LiI(Eu), the gamma equivalent energy for thermal neutrons was measured as 3.6 ± 0.1 MeV, providing satisfactory gamma rejection. For NaI(Tl), the response of SiPM array was well linear in the energy range up to 1408 keV, at which a deviation less than 2% was measured. Digital pulse shape discrimination (PSD) was implemented with an 8-bit digitizer running at 50 MSPS sampling rate and offline analysis. The signal pulses from NaI(Tl) and LiI(Eu) showed significant difference in falling edge allowing effective PSD. The best figure of merit (FOM) was measured as 4.4 ± 0.2 with optimized parameters, providing excellent PSD performance. The energy resolutions for 661.6 keV gamma rays in NaI(Tl) and thermal neutrons in LiI(Eu) were measured as 7.0 ± 0.2% and 11.2 ± 0.2% respectively, with selected PSD threshold.

Interaction of Corundum, Wollastonite and Quartz With H2O-NaCl Solutions at 800 C and 10 Kbar

NASA Astrophysics Data System (ADS)

Newton, R. C.; Manning, C. E.

2005-12-01

Aqueous fluids are potentially important transport agents in subduction zones and other high-P metamorphic environments. Recent studies indicate that at high P and T, the solubilities of major rock-forming elements are strongly enhanced by the formation of metal-chloride complexes, metal-hydroxide complexes and polynuclear metal-hydroxide clusters. However, the relative abundances of these species and the energetics of their interactions in high-pressure environments remains largely unknown. We measured the solubilities of corundum (Al2O3) and wollastonite (CaSiO3) at 800 °C and 10 kbar in H2O-NaCl solutions to halite saturation (XNaCl = 0.6) . Both minerals show marked enhancement of solubility with increasing salinity. Al2O3 mol fraction rises rapidly to XNaCl = 0.1, and then declines slowly towards halite saturation. Quenched experimental fluids have neutral pH. Modeling based on ideal solution of ions and molecules leads to a simple dissolution reaction and corresponding molality (m=mol/kg H2O) expression: Al2O3(cor) + Na+ + 3H2O = NaAl(OH)4 + Al(OH)2+ and mAl2O3 = [0.0232(aNaCl)1/4(aH2O)3/2+0.00123][1+2XNaCl/(1-XNaCl)] where H2O and NaCl activities are given by aH2O = (2-XNaCl)/(2+XNaCl) and aNaCl = 4(XNaCl)2/(1 + XNaCl)2. Wollastonite solubility in NaCl solutions is accurately described by: mCaSiO3 = 0.6734XNaCl + 0.1183(XNaCl)1/2 + 0.0204. There is a roughly 50-fold enhancement of dissolved wollastonite at halite saturation. Quenched experimental fluids are strongly basic (pH=11). A consistent dissolution reaction must therefore be similar to: CaSiO3(wo) + Na+ + Cl- = CaCl+ + OH- + HNaSiO3 Quartz solubility declines monotonically from mSiO2 = 1.248 in pure H2O to 0.20 at halite saturation. Quenched fluids are neutral, indicating that quartz does not react with solvent NaCl. The only salinity control on solubility is decrease of H2O activity. The simple dissolution behaviors to be deduced from measurements on these minerals suggest that fluid

A new sol-gel process for producing Na(2)O-containing bioactive glass ceramics.

PubMed

Chen, Qi-Zhi; Li, Yuan; Jin, Li-Yu; Quinn, Julian M W; Komesaroff, Paul A

2010-10-01

The sol-gel process of producing SiO(2)-CaO bioactive glasses is well established, but problems remain with the poor mechanical properties of the amorphous form and the bioinertness of its crystalline counterpart. These properties may be improved by incorporating Na(2)O into bioactive glasses, which can result in the formation of a hard yet biodegradable crystalline phase from bioactive glasses when sintered. However, production of Na(2)O-containing bioactive glasses by sol-gel methods has proved to be difficult. This work reports a new sol-gel process for the production of Na(2)O-containing bioactive glass ceramics, potentially enabling their use as medical implantation materials. Fine powders of 45S5 (a Na(2)O-containing composition) glass ceramic have for the first time been successfully synthesized using the sol-gel technique in aqueous solution under ambient conditions, with the mean particle size being approximately 5 microm. A comparative study of sol-gel derived S70C30 (a Na(2)O-free composition) and 45S5 glass ceramic materials revealed that the latter possesses a number of features desirable in biomaterials used for bone tissue engineering, including (i) the crystalline phase Na(2)Ca(2)Si(3)O(9) that couples good mechanical strength with satisfactory biodegradability, (ii) formation of hydroxyapatite, which may promote good bone bonding and (iii) cytocompatibility. In contrast, the sol-gel derived S70C30 glass ceramic consisted of a virtually inert crystalline phase CaSiO(3). Moreover, amorphous S70C30 largely transited to CaCO(3) with minor hydroxyapatite when immersed in simulated body fluid under standard tissue culture conditions. In conclusion, sol-gel derived Na(2)O-containing glass ceramics have significant advantages over related Na(2)O-free materials, having a greatly improved combination of mechanical capability and biological absorbability. 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Gels and gel-derived glasses in the Na2O-B2O3-SiO2 system. [containerless melting in space

NASA Technical Reports Server (NTRS)

Mukherjee, S. P.

1982-01-01

The containerless melting of high-purity multicomponent homogeneous gels and gel-monoliths offers a unique approach to making ultrapure multicomponent optical glasses in the reduced gravity environment of space. Procedures for preparing and characterizing gels and gel-derived glasses in the Na2O-B2O3-SiO2 system are described. Preparation is based on the polymerization reactions of alkoxysilane with trimethyl borate or boric acid and a suitable sodium compound. The chemistry of the gelling process is discussed in terms of process parameters and the gel compositions. The physicochemical nature of gels prepared by three different procedures were found to be significantly different. IR absorption spectra indicate finite differences in the molecular structures of the different gels. The melting of the gel powders and the transformation of porous gel-monoliths to transparent 'glass' without melting are described.

Silicon Framework Allotropes for Li-ion and Na-ion Batteries: New Insight for a Reversible Capacity.

NASA Astrophysics Data System (ADS)

Marzouk, Asma; Soto, Fernando; Burgos, Juan; Balbuena, Perla; El-Mellouhi, Fadwa

Silicon has the capacity to host a large amount of Li which makes it an attractive anode material despite suffering from swelling problem leading to irreversible capacity loss. The possibility of an easy extraction of Na atoms from Si24Na4 inspired us to adopt the Si24 as an anode material for Lithium-ion and sodium-ion Batteries. Using DFT, we evaluate the specific capacity and the intercalation potential of Si24 allotrope. Enhanced capacities are sought by designing a new silicon allotrope. We demonstrated that these Si24 allotropes show a negligible volume expansion and conserve their periodic structures after the maximum insertion/disinsertion of the ions which is crucial to prevent the capacity loss during cycling. DFT and ab-initio molecular dynamics (AIMD) studies give insights on the most probable surface adsorption and reaction sites, lithiation and sodiation, as well as initial stages of SEI formation and ionic diffusion. Qatar National Research Fund (QNRF) (NPRP 7-162-2-077).

Crystal structure of the mineral (Na,Ca,K){sub 2}(Ca,Na){sub 4}(Mg,Fe){sub 5}(Mg,Fe,Ti){sub 5}[Si{sub 12}Al{sub 4}O{sub 44}](F,O){sub 4}: a triclinic representative of the amphibole family

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rastsvetaeva, R. K., E-mail: rast@ns.crys.ras.ru; Aksenov, S. M.

2012-05-15

A mineral belonging to the amphibole family found at the Rothenberg paleovolcano (Eifel, Germany) was studied by single-crystal X-ray diffraction. The triclinic pseudomonoclinic unit-cell parameters are a = 5.3113(1) Angstrom-Sign , b = 18.0457(3) Angstrom-Sign ; c = 9.8684(2) Angstrom-Sign , {alpha} = 90.016(2) Degree-Sign , {beta} = 105.543(4) Degree-Sign , {gamma} = 89.985(2) Degree-Sign . The structure was solved by direct methods in sp. gr. P1 and refined to the R factor of 2.7% based on 6432 reflections with |F| > 3{sigma}(F) taking into account twinning. The mineral with the idealized formula (Na,Ca,K){sub 2}(Ca,Na){sub 4}(Mg,Fe){sub 5}(Mg,Fe,Ti){sub 5}[Si{sub 12}Al{sub 4}O{submore » 44}](F,O){sub 4} has some symmetry and structural features that distinguish it from other minerals of this family.« less

Recycling of iron and silicon from drinking water treatment sludge for synthesis of magnetic iron oxide@SiO₂ composites.

PubMed

Meng, Lingyou; Chan, Yingzi; Wang, Han; Dai, Ying; Wang, Xue; Zou, Jinlong

2016-03-01

More attention has been paid to the deterioration of water bodies polluted by drinking water treatment sludge (DWTS) in recent years. It is important to develop methods to effectively treat DWTS by avoiding secondary pollution. We report herein a novel investigation for recovery of Si and Fe from DWTS, which are used for the synthesis of two iron oxide@SiO2 composites for adsorption of reactive red X-3B (RRX-3B) and NaNO2. The results show that Fe(3+) (acid-leaching) and Si(4+) (basic-leaching) can be successfully recovered from roasted DWTS. Whether to dissolve Fe(OH)3 precipitation is the key point for obtaining Fe3O4 or γ-Fe2O3 particles using the solvothermal method. The magnetic characteristics of Fe3O4@SiO2 (390.0 m(2) g(-1)) or Fe2O3@SiO2 (220.9 m(2) g(-1)) are slightly influenced by the coated porous SiO2 layer. Peaks of Fe-O stretching vibration (580 cm(-1)) and asymmetric Si-O-Si stretching vibrations (1080 cm(-1)) of Fe3O4@SiO2 indicate the successful coating of a thin silica layer (20-150 nm). The adsorption capacity of RRX-3B and NaNO2 by Fe3O4@SiO2 is better than that of Fe2O3@SiO2, and both composites can be recycled through an external magnetic field. This method is an efficient and environmentally friendly method for recycling DWTS.

Effects of sodium hydroxide (NaOH) solution concentration on fly ash-based lightweight geopolymer

NASA Astrophysics Data System (ADS)

Ibrahim, W. M. W.; Hussin, K.; Abdullah, M. M. A.; Kadir, A. A.; Deraman, L. M.

2017-09-01

In this study, the effects of NaOH concentration on properties of fly ash-based lightweight geopolymer were investigated. Lightweight geopolymer was produced using fly ash as source materials and synthetic foaming agents as air entraining agent. The alkaline solutions used in this study are combination of sodium hydroxide (NaOH) and sodium silicate (Na2SiO3) solution. Different molarities of NaOH solution (6M, 8M, 10M, 12M, and 14M) are taken for preparation of 50 x 50 x 50 mm cubes of lightweight geopolymer. The ratio of fly ash/alkaline solution, Na2SiO3/NaOH solution, foaming agent/water and foam/geopolymer paste were kept constant at 2.0, 2.5, 1:10 and 1:1 respectively. The samples were cured at 80°C for 24 hours and left at room temperature for tested at 7 days of ageing. Physical and mechanical properties such as density, water absorption, compressive strength and microstructure property were determined from the cube dried samples. The results show that the NaOH molarity had effects on the properties of lightweight geopolymer with the optimum NaOH molarity found is 12M due to the high strength of 15.6 MPa, lower water absorption (7.3%) and low density (1440 kg/m3). Microstructure analysis shows that the lightweight geopolymer contain some porous structure and unreacted fly ash particles remains.

Refractive index and compressibility of LiAlSi{sub 3}O{sub 8} glass in the pressure range up to 6.0 GPa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuryaeva, R.G., E-mail: rufina@igm.nsc.ru; Dmitrieva, N.V.; Surkov, N.V.

2016-02-15

Highlights: • Refractive index and the compressibility of LiAlSi{sub 3}O{sub 8} glass are obtained. • Among Li(Na,K)AlSi{sub 3}O{sub 8} glasses LiAlSi{sub 3}O{sub 8} glass has the lowest compressibility. • Degree of depolymerization (NBO/T = 0.31) for LiAlSi{sub 3}O{sub 8} glass was calculated. • NBO/T = 0.31 indicates a high content of NBOs atoms and Al in LiAlSi{sub 3}O{sub 8} glass. • Proposed reaction corresponds to the condition of the existence of ∼9% Al. - Abstract: The refractive index and the relative changes in the density for LiAlSi{sub 3}O{sub 8} glass in the pressure range up to 6.0 GPa were obtainedmore » using a polarization-interference microscope and an apparatus with diamond anvils. The results were compared with the previous data for the NaAlSi{sub 3}O{sub 8} and KAlSi{sub 3}O{sub 8} glasses. The compressibility of glasses increases in a series of alkali metal cations Li{sup +}, Na{sup +}, K{sup +}. From the previously found dependence of the compressibility (at P = 4.0 GPa) on the degree of depolymerization the value of NBO/T = 0.31 for LiAlSi{sub 3}O{sub 8} glass was calculated. A high degree of depolymerization of the LiAlSi{sub 3}O{sub 8} glass indicates not only a high content of NBOs atoms in the structural network, but also the presence of highly coordinated aluminum (according to the literature data ∼9%). The proposed schematic reaction for the formation of different structural groups corresponds to the condition of the existence of 9% highly coordinated aluminum.« less

Improving the characteristics of foundry alloys AlSiCuMg during manufacturing

NASA Astrophysics Data System (ADS)

Fragoso, Bruno Filipe Marques

As piroxenas sao um vasto grupo de silicatos minerais encontrados em muitas rochas igneas e metamorficas. Na sua forma mais simples, estes silicatos sao constituidas por cadeias de SiO3 ligando grupos tetrahedricos de SiO4. A formula quimica geral das piroxenas e M2M1T2O6, onde M2 se refere a catioes geralmente em uma coordenacao octaedrica distorcida (Mg2+, Fe2+, Mn2+, Li+, Ca2+, Na+), M1 refere-se a catioes numa coordenacao octaedrica regular (Al3+, Fe3+, Ti4+, Cr3+, V3+, Ti3+, Zr4+, Sc3+, Zn2+, Mg2+, Fe2+, Mn2+), e T a catioes em coordenacao tetrahedrica (Si4+, Al3+, Fe3+). As piroxenas com estrutura monoclinica sao designadas de clinopiroxenes. A estabilidade das clinopyroxenes num espectro de composicoes quimicas amplo, em conjugacao com a possibilidade de ajustar as suas propriedades fisicas e quimicas e a durabilidade quimica, tem gerado um interesse mundial devido a suas aplicacoes em ciencia e tecnologia de materiais. Este trabalho trata do desenvolvimento de vidros e de vitro-cerâmicos baseadas de clinopiroxenas para aplicacoes funcionais. O estudo teve objectivos cientificos e tecnologicos; nomeadamente, adquirir conhecimentos fundamentais sobre a formacao de fases cristalinas e solucoes solidas em determinados sistemas vitro-cerâmicos, e avaliar a viabilidade de aplicacao dos novos materiais em diferentes areas tecnologicas, com especial enfase sobre a selagem em celulas de combustivel de oxido solido (SOFC). Com este intuito, prepararam-se varios vidros e materiais vitro-cerâmicos ao longo das juntas Enstatite (MgSiO3) - diopsidio (CaMgSi2O6) e diopsidio (CaMgSi2O6) - Ca - Tschermak (CaAlSi2O6), os quais foram caracterizados atraves de um vasto leque de tecnicas. Todos os vidros foram preparados por fusao-arrefecimento enquanto os vitro-cerâmicos foram obtidos quer por sinterizacao e cristalizacao de fritas, quer por nucleacao e cristalizacao de vidros monoliticos. Estudaram-se ainda os efeitos de varias substituicoes ionicas em composicoes de

Heat treatment of Na2O-CaO-P2O5-SiO2 bioactive glasses: densification processes and postsintering bioactivity.

PubMed

Sola, A; Bellucci, D; Raucci, M G; Zeppetelli, S; Ambrosio, L; Cannillo, V

2012-02-01

Because of their excellent bioactivity, bioactive glasses are increasingly diffused to produce biomedical devices for bone prostheses, to face the dysfunctions that may be caused by traumatic events, diseases, or even natural aging. However, several processing routes, such as the production of scaffolds or the deposition of coatings, include a thermal treatment to apply or sinter the glass. The exposure to high temperature may induce a devetrification phenomenon, altering the properties and, in particular, the bioactivity of the glass. The present contribution offers an overview of the thermal behavior and properties of two glasses belonging to the Na2O-CaO-P2O5-SiO2 system, to be compared to the standard 45S5 Bioglass(®). The basic goal is to understand the effect of both the original composition and the thermal treatment on the performance of the sintered glasses. The new glasses, the one (BG_Na) with a high content of Na2O, the other (BG_Ca) with a high content of CaO, were fully characterized and sintering tests were performed to define the most interesting firing cycles. The sintered samples, treated at 880°C and 800°C respectively, were investigated from a microstructural point of view and their mechanical properties were compared to those of the bulk (not sintered) glass counterparts. The effect of sintering was especially striking on the BG_Ca material, whose Vickers hardness increased from 598.9 ± 46.7 HV to 1053.4 ± 35.0 HV. The in vitro tests confirmed the ability of the glasses, both in bulk and sintered form, of generating a hydroxyapatite surface layer when immersed in a simulated body fluid. More accurate biological tests performed on the sintered glasses proved the high bioactivity of the CaO-rich composition even after a heat treatment. Copyright © 2011 Wiley Periodicals, Inc.

Discovery of Ahrensite γ-Fe2SiO4 and Tissintite (Ca,Na,[])AlSi2O6, Two New Shock-induced Minerals from the Tissint Martian Meteorite: a Nanomineralogy Investigation

NASA Astrophysics Data System (ADS)

Ma, C.; Tschauner, O. D.; Liu, Y.; Sinogeikin, S. V.; Zhuravlev, K. K.; Prakapenka, V.; Dera, P. K.; Taylor, L. A.

2013-12-01

The recent Martian meteorite fall, Tissint, is a fresh olivine-phyric shergottite, with strong shock features. During our nano-mineralogy investigation of the Tissint meteorite with a combined analytical scanning electron microscope and synchrotron diffraction approach, two new shock-induced minerals have been discovered; these provide new insights into understanding shock conditions and impact processes on Mars. Ahrensite (IMA 2013-028), the Fe-analogue (γ-Fe2SiO4) of ringwoodite, is a new high-pressure mineral identified in Tissint. Both ahrensite and ringwoodite occur in Tissint as fine-grained polycrystalline aggregates in the rims of olivines around some shock-melt pockets. The morphology and texture of these silicate-spinels suggest formation by a solid-state transformation from Fe-rich olivine. Associated with the ahrensite and ringwoodite, inside melt pockets, often resides a thin layer of vitrified silicate-perovskite and magnesio-wüstite or wüstite. Such transitions represent a unique pressure and temperature gradient. Tissintite (IMA 2013-027), (Ca,Na,[])AlSi2O6 with the C2/c clinopyroxene structure, is a new jadeite-like mineral in Tissint. It appears as fine-grained aggregates within plagioclase glass, inside many shock-melt pockets. Both ahrensite and tissintite are high-pressure minerals formed by shock during the impact event(s) on Mars that excavated and ejected the rock off Mars. We will discuss the path of structure analysis for both new-mineral cases. Such novel methodology be utilized for many cases of mineralogical phase identification or structure analysis; this demonstrates how nano-mineralogy can be addressed and how it may play a unique role in meteorite and Mars rock research, in general.

Semi-volatiles at Mercury: Sodium (Na) and potassium (K)

NASA Technical Reports Server (NTRS)

Sprague, A.

1994-01-01

Several lines of evidence now suggest that Mercury is a planet rich in moderately-volatile elements such as Na and K. Recent mid-infrared spectral observations of Mercury's equatorial and mid-latitude region near 120 degrees mercurian longitude indicate the presence of plagioclase feldspar. Spectra of Mercury's surface exhibit spectral activity similar to labradorite (plagioclase feldspar with NaAlSi3O8: 30-50 percent) and bytownite (NaAlSi3O8: 10-30 percent). These surface studies were stimulated by the relatively large abundance of Na and K observed in Mercury's atmosphere. An enhanced column of K is observed at the longitudes of Caloris Basin and of the antipodal terrain. Extreme heating at these 'hot' longitudes and severe fracturing suffered from the large impact event could lead to enhanced outgassing from surface or subsurface materials. Alternatively, sputtering from a surface enriched in K could be the source of the observed enhancement. Recent microwave measurements of Mercury also give indirect evidence of a mercurian regolith less FeO-rich than the Moon. An anomalously high index of refraction derived from the whole-disk integrated phase curve of Danjon may also be indicative of surface sulfides contributing to a regolith that is moderately volatile-rich. The recent exciting observations of radar-bright spots at high latitudes also indicate that a substance of high volume scattering, like ice, is present in shadowed regions. Other radar-bright spots have been seen at locations of Na enhancements on the atmosphere. All combined, these pieces of evidence point to a planet that is not severely depleted in volatiles or semi-volatiles.

Production of Solar-Grade Silicon by the SiF4 and Mg Reaction

NASA Astrophysics Data System (ADS)

Xie, Xiaobing; Bao, Jianer; Sanjurjo, Angel

2016-12-01

Over 90 pct of the solar cells currently produced and installed are Si based, and this industrial dominance is expected to persist for the foreseeable future. The crystalline Si substrate accounts for a significant portion of the total cost of solar cells. In order to further reduce the cost of solar panels, there has been significant effort in producing inexpensive solar-grade Si, mainly through three paths: (1) modification of the Siemens process to lower production costs, (2) upgrading metallurgical-grade Si to reach solar-grade purity, and (3) by means of new metallurgical processes such as the reduction of a silicon halide, e.g., SiF4 or SiCl4, by a reactive metal such as Na or Zn. In this paper, we describe an alternative path that uses Mg to react with SiF4 to produce low-cost solar grade Si. Experimental conditions for complete reaction and separation of the products, Si and MgF2, as well as aspects of the reaction mechanism are described. The reaction involves both a heterogeneous liquid-gas phase reaction and a homogeneous gas-gas phase reaction. When pure Mg was used, the Si product obtained had sub-ppm levels of B and P impurities and is expected to be suitable for solar cell applications.

The effects of different heat treatment annealing on structural properties of LaFe11.5Si1.5 compound

NASA Astrophysics Data System (ADS)

Norizan, Yang Nurhidayah Asnida; Din, Muhammad Faiz Md; Zamri, Wan Fathul Hakim W.; Hashim, Fakroul Ridzuan; Jusoh, Mohd Taufik; Rahman, Mohd Rashid Abdul

2018-02-01

The cubic NaZn13-type LaFe13-xSix based compounds have been studied systematically and has become one of the most interesting systems for exploring large MCE. Its magnetic properties are strongly doping dependent and provides many of advantage compare to other as magnetic materials for magnetic refrigerator application. In other to produce high quality of cubic NaZn13-type structure, the structural properties of LaFe11.5Si1.5 compounds annealed at different temperature have been investigated. The LaFe11.5Si1.5 compounds was prepared by arc melting and annealed at two different heat treatment which are 1323 K for 14 days and 1523 K for 4 hour. The powder X-ray diffraction (XRD) shows that a short time and high temperature annealing process has benefits for the formation of the NaZn13-type phase compared to a long time and low temperature annealing process. This is shown by the weight fraction of cubic NaZn13- type structure increases from 80% for low temperature annealing to 83% for high temperature annealing. At the same time, high temperature annealing increase the main structure and decrease the impurity (α-Fe and LaFeSi). Furthermore, it can be clearly seen in the Rietveld refinement results that the lattice parameter is increase at the high temperature annealing because of more cubic NaZn13 is formed at higher temperature.

Fluorcanasite, K3Na3Ca5Si12O30(F,OH)4 · H2O, a new mineral species from the Khibiny alkaline pluton, Kola Peninsula, Russia, and new data on canasite

NASA Astrophysics Data System (ADS)

Khomyakov, A. P.; Nechelyustov, G. N.; Krivokoneva, G. K.; Rastsvetaeva, R. K.; Rozenberg, K. A.; Rozhdestvenskaya, I. V.

2009-12-01

Fluorcanasite is described, a new mineral species found in dumps of the Kirovsk apatite mine, Mt. Kukisvumchorr, Khibiny alkaline pluton, Kola Peninsula, Russia. The new mineral is associated with microcline, nepheline, aegirine, scherbakovite, lamprophyllite, pectolite, mosandrite, villiaumite, rasvumite, and molybdenite. It occurs as prismatic crystals up to 0.2-0.3 × 1-2 mm in size extending along [010]. Fluorcanasite is purple, transparent, with white streak and vitreous luster. The fracture is hackly along the extension and stepped in other directions. The mineral is brittle. The cleavage is eminent parallel to {100} and {201} and perfect parallel to {001}. D(meas) = 2.68(2) g/cm3 (volumetric method); D(calc) = 2.69 g/cm3. Fluorcanasite is biaxial, negative, n α = 1.538(1), n β = 1.546(1), n γ = 1.549(1), 2 V(meas) = 60(2)°, 2 V(calc) = 63°. Dispersion r > v. The new mineral is pleochroic according to the scheme N β > N γ > N α; N β is purple, N γ is lilac, and N α is amber-yellow. Orientation is as follows: b = N β, a∧ N γ = 3°, c∧ N α = 19°. Fluorcanasite is not luminescent in UV light and slowly decomposes in acid. The new mineral is monoclinic, space group Cm, a = 18.846(4), b = 7.242(1), c = 12.650(2) Å, β = 111.84(2)°, V = 1602.6(4) Å3, Z = 2. The strongest reflections [ d, Å( I)] in the X-ray powder pattern of a grainoriented sample are 2.915(100), 4.204(40), 5.872(36), 4.712(36), 2.358(32), 3.012(24), 2.310(24), 3.082(24) and the same reflections in a randomly oriented sample are 3.082(100), 2.915(85), 4.712(46), 4.204(41), 3.340(35), 5.872(33), 2.658(30). The chemical composition, determined with an electron microprobe, is as follows, wt %: 7.19 Na2O, 10.91 K2O, 19.55 CaO, 0.27 FeO, 2.08 MnO, 55.84 SiO2, 4.10 F, 2.22 H2O (determined on the basis of structural data), 1.73-O = F2; the total is 100.43. The empirical formula, calculated on the basis of Si = 12, is K2.99Na3.00(Ca4.50Mn0.38·Fe{0.05/2+})Σ4.93Si12O29.93(F2.79OH1

Phase equilibria in the NaF-CdO-NaPO3 system at 873 K and crystal structure and physico-chemical characterizations of the new Na2CdPO4F fluorophosphate

NASA Astrophysics Data System (ADS)

Aboussatar, Mohamed; Mbarek, Aïcha; Naili, Houcine; El-Ghozzi, Malika; Chadeyron, Geneviève; Avignant, Daniel; Zambon, Daniel

2017-04-01

Isothermal sections of the diagram representing phase relationships in the NaF-CdO-NaPO3 system have been investigated by solid state reactions and powder X-ray diffraction. This phase diagram investigation confirms the polymorphism of the NaCdPO4 side component and the structure of the ß high temperature polymorph (orthorhombic, space group Pnma and unit cell parameters a=9.3118(2), b=7.0459(1), c=5.1849(1) Å has been refined. A new fluorophosphate, Na2CdPO4F, has been discovered and its crystal structure determined and refined from powder X-ray diffraction data. It exhibits a new 3D structure with orthorhombic symmetry, space group Pnma and unit cell parameters a=5.3731(1), b=6.8530(1), c=12.2691(2) Å. The structure is closely related to those of the high temperature polymorph of the nacaphite Na2CaPO4F and the fluorosilicate Ca2NaSiO4F but differs essentially in the cationic repartition since the structure is fully ordered with one Na site (8d) and one Cd site (4c). Relationships with other Na2MIIPO4F (MII=Mg, Ca, Mn, Fe, Co, Ni) have been examined and the crystal-chemical and topographical analysis of these fluorophosphates is briefly reviewed. IR, Raman, optical and 19F, 23Na, 31P MAS NMR characterizations of Na2CdPO4F have been investigated.

Preparation and Characterization of PbO-SrO-Na2O-Nb2O5-SiO2 Glass Ceramics Thin Film for High-Energy Storage Application

NASA Astrophysics Data System (ADS)

Tan, Feihu; Zhang, Qingmeng; Zhao, Hongbin; Wei, Feng; Du, Jun

2018-03-01

PbO-SrO-Na2O-Nb2O5-SiO2 (PSNNS) glass ceramic thin films were prepared by pulsed laser deposition technology on heavily doped silicon substrates. The influence of annealing temperatures on microstructures, dielectric properties and energy storage performances of the as-prepared films were investigated in detail. X-ray diffraction studies indicate that Pb2Nb2O7 crystallizes at 800°C and disappears at 900°C, while NaNbO3 and PbNb2O6 are formed at the higher temperature of 900°C. The dielectric properties of the glass ceramics thin films have a strong dependence on the phase assemblages that are developed during heat treatment. The maximum dielectric constant value of 171 was obtained for the film annealed at 800°C, owing to the high electric breakdown field strength, The energy storage densities of the PSNNS films annealed at 800°C were as large as 36.9 J/cm3, These results suggest that PSNNS thin films are promising for energy storage applications.

Structural studies on a high-pressure polymorph of NaYSi 2O 6

NASA Astrophysics Data System (ADS)

Kahlenberg, Volker; Konzett, Jürgen; Kaindl, Reinhard

2007-06-01

High-pressure synthesis experiments in the system Na 2O-Y 2O 3-SiO 2 revealed the existence of a previously unknown polymorph of NaYSi 2O 6 or Na 3Y 3[Si 3O 9] 2 which was quenched from 3.0 GPa and 1000 °C. Structural investigations on this modification have been performed using single-crystal X-ray diffraction data collected at ambient conditions. Furthermore, unpolarized micro-Raman spectra have been obtained from single-crystal material. The high-P modification of NaYSi 2O 6 crystallizes in the centrosymmetric space group C2/ c with 12 formula units per cell ( a=8.2131(9) Å, b=10.3983(14) Å, c=17.6542(21) Å, β=100.804(9)°, V=1481.0(3) Å 3, R(| F|)=0.033 for 1142 independent observed reflections) and belongs to the group of cyclo-silicates. Basic building units are isolated three-membered [Si 3O 9] rings located in layers parallel to (010). Within a single layer the rings are concentrated in strings parallel to [100]. The sequence of directedness of up ( U) or down ( D) pointing tetrahedra of a single ring is UUU or DDD, respectively. Stacking of the layers parallel to b results in the formation of a three-dimensional structure in which yttrium and sodium cations are incorporated for charge compensation. In more detail, four non-tetrahedral cation positions can be differentiated which are coordinated by 6 and 8 oxygen ligands. Refinements of the site occupancies did not reveal any indication for mixed Na-Y populations on these positions. Finally, several geometrical parameters of rings occurring in cyclo-trisilicate structures have been compiled and are discussed.

Behaviour at high pressure of Rb7NaGa8Si12O40·3H2O (a zeolite with EDI topology): a combined experimental-computational study

NASA Astrophysics Data System (ADS)

Gatta, G. D.; Tabacchi, G.; Fois, E.; Lee, Y.

2016-03-01

The high-pressure behaviour and the P-induced structural evolution of a synthetic zeolite Rb7NaGa8Si12O40·3H2O (with edingtonite-type structure) were investigated both by in situ synchrotron powder diffraction (with a diamond anvil cell and the methanol:ethanol:water = 16:3:1 mixture as pressure-transmitting fluid) up to 3.27 GPa and by ab initio first-principles computational modelling. No evidence of phase transition or penetration of P-fluid molecules was observed within the P-range investigated. The isothermal equation of state was determined; V 0 and K T0 refined with a second-order Birch-Murnaghan equation of state are V 0 = 1311.3(2) Å3 and K T0 = 29.8(7) GPa. The main deformation mechanism (at the atomic scale) in response to the applied pressure is represented by the cooperative rotation of the secondary building units (SBU) about their chain axis (i.e. [001]). The direct consequence of SBU anti-rotation on the zeolitic channels parallel to [001] is the increase in pore ellipticity with pressure, in response to the extension of the major axis and to the contraction of the minor axis of the elliptical channel parallel to [001]. The effect of the applied pressure on the bonding configuration of the extra-framework content is only secondary. A comparison between the P-induced main deformation mechanisms observed in Rb7NaGa8Si12O40·3H2O and those previously found in natural fibrous zeolites is made.

Compositional dependence of bioactivity of glasses in the system Na2O-K2O-MgO-CaO-B2O3-P2O5-SiO2.

PubMed

Brink, M; Turunen, T; Happonen, R P; Yli-Urpo, A

1997-10-01

The bioactivity, i.e., bone-bonding ability, of 26 glasses in the system Na2O-K2O-MgO-CaO-B2O3-P2O5-SiO2 was studied in vivo. This investigation of bioactivity was performed to establish the compositional dependence of bioactivity, and enabled a model to be developed that describes the relation between reactions in vivo and glass composition. Reactions in vivo were investigated by inserting glass implants into rabbit tibia for 8 weeks. The glasses and the surrounding tissue were examined using scanning electron microscopy (SEM), light microscopy, and energy-dispersive X-ray analysis (EDXA). For most of the glasses containing < 59 mol % SiO2, SEM and EDXA showed two distinct layers at the glass surface after implantation, one silica-rich and another containing calcium phosphate. The build-up of these layers in vivo was taken as a sign of bioactivity. The in vivo experiments showed that glasses in the investigated system are bioactive when they contain 14-30 mol % alkali oxides, 14-30 mol % alkaline earth oxides, and < 59 mol % SiO2. Glasses containing potassium and magnesium bonded to bone in a similar way as bioactive glasses developed so far.

Plasmon enhanced upconversion luminescence of NaYF4:Yb,Er@SiO2@Ag core-shell nanocomposites for cell imaging.

PubMed

Yuan, Peiyan; Lee, Yih Hong; Gnanasammandhan, Muthu Kumara; Guan, Zhenping; Zhang, Yong; Xu, Qing-Hua

2012-08-21

NaYF(4):Yb,Er@SiO(2)@Ag core-shell nanocomposites were prepared to investigate metal-enhanced upconversion luminescence. Two sizes (15 and 30 nm) of Ag nanoparticles were used. The emission intensity of the upconversion nanocrystals was found to be strongly modulated by the presence of Ag nanoparticles (NPs) on the outer shell layer of the nanocomposites. The extent of modulation depended on the separation distance between Ag NPs and upconversion nanocrystals. The optimum upconversion luminescence enhancement was observed at a separation distance of 10 nm for Ag NPs with two different sizes (15 and 30 nm). A maximum upconversion luminescence enhancement of 14.4-fold was observed when 15 nm Ag nanoparticles were used and 10.8-fold was observed when 30 nm Ag NPs were used. The separation distance dependent emission intensity is ascribed to the competition between energy transfer and enhanced radiative decay rates. The biocompatibility of the nanocomposites was significantly improved by surface modification with DNA. The biological imaging capabilities of these nanocomposites were demonstrated using B16F0 cells.

Anisotropic selective etching between SiGe and Si

NASA Astrophysics Data System (ADS)

Ishii, Yohei; Scott-McCabe, Ritchie; Yu, Alex; Okuma, Kazumasa; Maeda, Kenji; Sebastian, Joseph; Manos, Jim

2018-06-01

In Si/SiGe dual-channel FinFETs, it is necessary to simultaneously control the etched amounts of SiGe and Si. However, the SiGe etch rate is higher than the Si etch rate in not only halogen plasmas but also physical sputtering. In this study, we found that hydrogen plasma selectively etches Si over SiGe. The result shows that the selectivity of Si over SiGe can be up to 38 with increasing Ge concentration in SiGe. Attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) results indicate that hydrogen selectively bonds with Si rather than with Ge in SiGe. During the etching, hydrogen-induced Si surface segregation is also observed. It is also observed that the difference in etched amount between SiGe and Si can be controlled from positive to negative values even in Si/SiGe dual-channel fin patterning while maintaining the vertical profiles. Furthermore, no plasma-induced lattice damage was observed by transmission electron microscopy for both Si and SiGe fin sidewalls.

Nanocrystalline Si pathway induced unipolar resistive switching behavior from annealed Si-rich SiNx/SiNy multilayers

NASA Astrophysics Data System (ADS)

Jiang, Xiaofan; Ma, Zhongyuan; Yang, Huafeng; Yu, Jie; Wang, Wen; Zhang, Wenping; Li, Wei; Xu, Jun; Xu, Ling; Chen, Kunji; Huang, Xinfan; Feng, Duan

2014-09-01

Adding a resistive switching functionality to a silicon microelectronic chip is a new challenge in materials research. Here, we demonstrate that unipolar and electrode-independent resistive switching effects can be realized in the annealed Si-rich SiNx/SiNy multilayers with high on/off ratio of 109. High resolution transmission electron microscopy reveals that for the high resistance state broken pathways composed of discrete nanocrystalline silicon (nc-Si) exist in the Si nitride multilayers. While for the low resistance state the discrete nc-Si regions is connected, forming continuous nc-Si pathways. Based on the analysis of the temperature dependent I-V characteristics and HRTEM photos, we found that the break-and-bridge evolution of nc-Si pathway is the origin of resistive switching memory behavior. Our findings provide insights into the mechanism of the resistive switching behavior in nc-Si films, opening a way for it to be utilized as a material in Si-based memories.

Nanoprecipitates and Their Strengthening Behavior in Al-Mg-Si Alloy During the Aging Process

NASA Astrophysics Data System (ADS)

Li, Hui; Liu, Wenqing

2017-04-01

The different nanoprecipitates formed in a 6061 aluminum alloy during aging at 453 K (180 °C), with or without 168 hours of pre-natural aging (NA), and the age-hardening response of the alloy were investigated by atom probe tomography (APT) and hardness testing. A hardness plateau developed between 2 and 8 hours in both the artificial aging (AA) and artificial aging with pre-natural aging (NAAA) samples. The hardness of NAAA samples was lower than that of AA samples when artificially aged for the same time. A 168-hour NA led to the formation of solute atom clusters in the matrix. The NA accelerated the precipitation kinetics of the following AA. The solute atom clusters gave the highest hardness increment per unit volume fraction. The β″ precipitates were dominant in the samples at the hardness plateau. The average normalized Mg:Si ratios of the solute atom clusters and GP zones were near 1. The average Mg:Si ratio of β″ precipitates increased from 1.3 to 1.5 upon aging for 2 hours. The microstructural evolution of samples with or without NA and its influence on the strengthening effects are discussed based on the experimental results.

Multifunctional NaYF4:Yb, Er@mSiO2@Fe3O4-PEG nanoparticles for UCL/MR bioimaging and magnetically targeted drug delivery.

PubMed

Liu, Bei; Li, Chunxia; Ma, Ping'an; Chen, Yinyin; Zhang, Yuanxin; Hou, Zhiyao; Huang, Shanshan; Lin, Jun

2015-02-07

A low toxic multifunctional nanoplatform, integrating both mutimodal diagnosis methods and antitumor therapy, is highly desirable to assure its antitumor efficiency. In this work, we show a convenient and adjustable synthesis of multifunctional nanoparticles NaYF4:Yb, Er@mSiO2@Fe3O4-PEG (MFNPs) based on different sizes of up-conversion nanoparticles (UCNPs). With strong up-conversion fluorescence offered by UCNPs, superparamagnetism properties attributed to Fe3O4 nanoparticles and porous structure coming from the mesoporous SiO2 shell, the as-obtained MFNPs can be utilized not only as a contrast agent for dual modal up-conversion luminescence (UCL)/magnetic resonance (MR) bio-imaging, but can also achieve an effective magnetically targeted antitumor chemotherapy both in vitro and in vivo. Furthermore, the UCL intensity of UCNPs and the magnetic properties of Fe3O4 in the MFNPs were carefully balanced. Silica coating and further PEG modifying can improve the hydrophilicity and biocompatibility of the as-synthesized MFNPs, which was confirmed by the in vitro/in vivo biocompatibility and in vivo long-time bio-distributions tests. Those results revealed that the UCNPs based magnetically targeted drug carrier system we synthesized has great promise in the future for multimodal bio-imaging and targeted cancer therapy.

Density impact on performance of composite Si/graphite electrodes

DOE PAGES

Dufek, Eric J.; Picker, Michael; Petkovic, Lucia M.

2016-01-27

The ability of alkali-substituted binders for composite Si and graphite negative electrodes to minimize capacity fade for lithium ion batteries is investigated. Polymer films and electrodes are described and characterized by FTIR following immersion in electrolyte (1:2 EC:DMC) for 24 h. FTIR analysis following electrode formation displayed similar alkali-ion dependent shifts in peak location suggesting that changes in the vibrational structure of the binder are maintained after electrode formation. The Si and graphite composite electrodes prepared using the alkali-substituted polyacrylates were also exposed to electrochemical cycling and it has been found that the performance of the Na-substituted binder is superiormore » to a comparable density K-substituted system. However, in comparing performance across many different electrode densities attention needs to be placed on making comparisons at similar densities, as low density electrodes tend to exhibit lower capacity fade over cycling. This is highlighted by a 6% difference between a low density K-substituted electrode and a high density Na-substituted sample. As a result, this low variance between the two systems makes it difficult to quickly make a direct evaluation of binder performance unless electrode density is tightly controlled.« less

Development of Si/SiGe heterostructures

NASA Astrophysics Data System (ADS)

Hauenstein, R. J.; Veteran, J. L.; Young, M. H.

1991-01-01

New molecular beam epitaxy (MBE) materials growth and doping processes were developed for the fabrication of Si/SiGe heterostructure devices. These new materials processes are applied to the demonstration of cryogenic n-p-n Si/Si 1-x Gex/Si heterojunction bipolar transistors (HBT). This application has special significance as an enabling DoD technology for fast low noise, high performance readout and signal processing circuits for IR focal systems. Reliable, versatile methods were developed to grow very high quality Si/SiGe strained layer heterostructures and multilayers. In connection with this program methods were developed to dope the Si and SiGe with B, Sb and Ga. B and Sb were found to be the preferred dopants for p and n regions respectively, of the HBT devices. The test devices clearly displayed gain enhancement due to the heterojunction and provided useful gains from room temperature down to 10 K.

Plasmon enhanced upconversion luminescence of NaYF4:Yb,Er@SiO2@Ag core-shell nanocomposites for cell imaging

NASA Astrophysics Data System (ADS)

Yuan, Peiyan; Lee, Yih Hong; Gnanasammandhan, Muthu Kumara; Guan, Zhenping; Zhang, Yong; Xu, Qing-Hua

2012-07-01

NaYF4:Yb,Er@SiO2@Ag core-shell nanocomposites were prepared to investigate metal-enhanced upconversion luminescence. Two sizes (15 and 30 nm) of Ag nanoparticles were used. The emission intensity of the upconversion nanocrystals was found to be strongly modulated by the presence of Ag nanoparticles (NPs) on the outer shell layer of the nanocomposites. The extent of modulation depended on the separation distance between Ag NPs and upconversion nanocrystals. The optimum upconversion luminescence enhancement was observed at a separation distance of 10 nm for Ag NPs with two different sizes (15 and 30 nm). A maximum upconversion luminescence enhancement of 14.4-fold was observed when 15 nm Ag nanoparticles were used and 10.8-fold was observed when 30 nm Ag NPs were used. The separation distance dependent emission intensity is ascribed to the competition between energy transfer and enhanced radiative decay rates. The biocompatibility of the nanocomposites was significantly improved by surface modification with DNA. The biological imaging capabilities of these nanocomposites were demonstrated using B16F0 cells.NaYF4:Yb,Er@SiO2@Ag core-shell nanocomposites were prepared to investigate metal-enhanced upconversion luminescence. Two sizes (15 and 30 nm) of Ag nanoparticles were used. The emission intensity of the upconversion nanocrystals was found to be strongly modulated by the presence of Ag nanoparticles (NPs) on the outer shell layer of the nanocomposites. The extent of modulation depended on the separation distance between Ag NPs and upconversion nanocrystals. The optimum upconversion luminescence enhancement was observed at a separation distance of 10 nm for Ag NPs with two different sizes (15 and 30 nm). A maximum upconversion luminescence enhancement of 14.4-fold was observed when 15 nm Ag nanoparticles were used and 10.8-fold was observed when 30 nm Ag NPs were used. The separation distance dependent emission intensity is ascribed to the competition between energy

Processing and Properties of SiC/MoSi2-SiC Composites Fabricated by Melt Infiltration

NASA Technical Reports Server (NTRS)

Bhatt, Ramakrishna T.; Hebsur, Mohan G.

2000-01-01

Hi-Nicalon SiC fiber reinforced MoSi2-SiC matrix composites (SiC/MoSi2-SiC) have been fabricated by the melt infiltration approach. The composite consists of approximately 60 vol%, 2-D woven BN/SiC coated Hi-Nicalon SiC fibers and approximately 40 vol% MoSi2-SiC matrix. The room temperature tensile properties and thermal conductivity of the SiC/MoSi2-SiC composites were measured and compared with those of the melt infiltrated SiC/SiC composites. The influence oi fiber architecture on tensile properties was also evaluated. Results indicate that the primary modulus, stress corresponding to deviation from linearity, and transverse thermal conductivity values for the SiC/MoSi2-SiC composites are significantly lower than those for the SiC/SiC composites. Microcracking of the matrix due to the large difference in thermal expansion between MoSi2 and SiC appears to be the reason for the lower matrix dominated properties of SiC/MoSi2-SiC composites.

Middendorfite, K3Na2Mn5Si12(O,OH)36 · 2H2O, a new mineral species from the Khibiny pluton, Kola Peninsula

NASA Astrophysics Data System (ADS)

Pekov, I. V.; Chukanov, N. V.; Dubinchuk, V. T.; Zadov, A. E.

2007-12-01

Middendorfite, a new mineral species, has been found in a hydrothermal assemblage in Hilairite hyperperalkaline pegmatite at the Kirovsky Mine, Mount Kukisvumchorr apatite deposit, Khibiny alkaline pluton, Kola Peninsula, Russia. Microcline, sodalite, cancrisilite, aegirine, calcite, natrolite, fluorite, narsarsukite, labuntsovite-Mn, mangan-neptunite, and donnayite are associated minerals. Middendorfite occurs as rhombshaped lamellar and tabular crystals up to 0.1 × 0.2 × 0.4 mm in size, which are combined in worm-and fanlike segregations up to 1 mm in size. The color is dark to bright orange, with a yellowish streak and vitreous luster. The mineral is transparent. The cleavage (001) is perfect, micalike; the fracture is scaly; flakes are flexible but not elastic. The Mohs hardness is 3 to 3.5. Density is 2.60 g/cm3 (meas.) and 2.65 g/cm3 (calc.). Middendorfite is biaxial (-), α = 1.534, β = 1.562, and γ = 1.563; 2 V (meas.) = 10°. The mineral is pleochroic strongly from yellowish to colorless on X through brown on Y and to deep brown on Z. Optical orientation: X = c. The chemical composition (electron microprobe, H2O determined with Penfield method) is as follows (wt %): 4.55 Na2O, 10.16 K2O, 0.11 CaO, 0.18 MgO, 24.88 MnO, 0.68 FeO, 0.15 ZnO, 0.20 Al2O3, 50.87 SiO2, 0.17 TiO2, 0.23 F, 7.73 H2O; -O=F2-0.10, total is 99.81. The empirical formula calculated on the basis of (Si,Al)12(O,OH,F)36 is K3.04(Na2.07Ca0.03)Σ2.10(Mn4.95Fe0.13Mg0.06Ti0.03Zn0.03)Σ5.20(Si11.94Al0.06)Σ12O27.57(OH)8.26F0.17 · 1.92H2O. The simplified formula is K3Na2Mn5Si12(O,OH)36 · 2H2O. Middenforite is monoclinic, space group: P21/ m or P21. The unit cell dimensions are a = 12.55, b = 5.721, c = 26.86 Å; β = 114.04°, V = 1761 Å3, Z = 2. The strongest lines in the X-ray powder pattern [ d, Å, ( I)( hkl)] are: 12.28(100)(002), 4.31(81)(11overline 4 ), 3.555(62)(301, 212), 3.063(52)(008, 31overline 6 ), 2.840(90)(312, 021, 30overline 9 ), 2.634(88)(21overline 9 , 1.0.overline 1 0

Nitriding kinetics of Si-SiC powder mixtures as simulations of reaction bonded Si3N4-SiC composites

NASA Technical Reports Server (NTRS)

Lightfoot, A.; Sheldon, B. W.; Flint, J. H.; Haggerty, J. S.

1989-01-01

The nitriding kinetics of Si and Si plus SiC powder mixtures were studied to simulate the fabrication of RBSN-SiC ceramic matrix composites. Very clean, assynthesized, and solvent-exposed powders were studied; C-rich and Si-rich SiC 0.04-0.05 micron diameter powders were mixed in varying concentrations with SiH4-derived 0.2-0.3 micron diameter Si powder. Complete nitridation is achieved with C-rich SiC powders in 140 min at 1250 C, and in the centers of Si-rich SiC powders in 15 min. The effects on the incubation periods, fast reaction periods, and slow reaction periods that characterize these nitriding processes were studied to explain unusual reverse reaction gradients and other effects of contamination.

Epitaxial growth and characterization of Si/NiSi 2/Si(111) heterostructures

NASA Astrophysics Data System (ADS)

Rizzi, Angela; Förster, A.; Lüth, H.; Slijkerman, W.

1989-04-01

Si/NiSi 2/Si(111) heterostructures are grown under UHV conditions. The well known "template" method is used to produce the epitaxial NiSi 2 interlayer. On top of the suicide, the silicon epitaxial growth is obtained by means of gas phase reaction of SiH 4 at a surface temperature of 500° C. The Si growth rate is strongly enhanced by predissociation of SiH 4 using a hot tungsten filament in the vicinity of the surface. The single steps of the growth are followed in-situ by means of AES, HREELS and LEED analysis. Ex-situ high resolution RBS analysis is also applied for characterization.

Mechanism of strength degradation for hot corrosion of alpha-SiC

NASA Technical Reports Server (NTRS)

Smialek, J. L.; Jacobson, N. S.

1984-01-01

Sintered alpha SiC was corroded by thin films of Na2SO4 and Na2CO3 molten salts at 1000%. This hot corrosion attack reduced room temperature strengths by as much as 50%. Strength degradation was porportional to the degree and uniformity of corrosion pitting attack as controlled by the chemistry of the molten salt. Extensive fractography identified corrosion pits as the most prevalent source of failure. A fracture mechanics treatment of the strength/pit depth relationship produced an average K sub IC equal to 2.6 MPa sub m 1/2, which is consistent with published values.

Mechanism of strength degradation for hot corrosion of alpha-SiC

NASA Technical Reports Server (NTRS)

Smialek, James L.; Jacobson, Nathan S.

1986-01-01

Sintered alpha SiC was corroded by thin films of Na2SO4 and Na2CO3 molten salts at 1000 percent. This hot corrosion attack reduced room temperature strengths by as much as 50 percent. Strength degradation was proportional to the degree and uniformity of corrosion pitting attack as controlled by the chemistry of the molten salt. Extensive fractography identified corrosion pits as the most prevalent source of failure. A fracture mechanics treatment of the strength/pit depth relationship produced an average K sub IC equal to 2.6 MPa sub m 1/2, which is cnsistent ith published values.

Sub-barrier fusion of Si+Si systems

NASA Astrophysics Data System (ADS)

Colucci, G.; Montagnoli, G.; Stefanini, A. M.; Bourgin, D.; Čolović, P.; Corradi, L.; Courtin, S.; Faggian, M.; Fioretto, E.; Galtarossa, F.; Goasduff, A.; Haas, F.; Mazzocco, M.; Scarlassara, F.; Stefanini, C.; Strano, E.; Urbani, M.; Szilner, S.; Zhang, G. L.

2017-11-01

The near- and sub-barrier fusion excitation function has been measured for the system 30Si+30Si at the Laboratori Nazionali di Legnaro of INFN, using the 30Si beam of the XTU Tandem accelerator in the energy range 47 - 90 MeV. A set-up based on a beam electrostatic deflector was used for detecting fusion evaporation residues. The measured cross sections have been compared to previous data on 28Si+28Si and Coupled Channels (CC) calculations have been performed using M3Y+repulsion and Woods-Saxon potentials, where the lowlying 2+ and 3- excitations have been included. A weak imaginary potential was found to be necessary to reproduce the low energy 28Si+28Si data. This probably simulates the effect of the oblate deformation of this nucleus. On the contrary, 30Si is a spherical nucleus, 30Si+30Si is nicely fit by CC calculations and no imaginary potential is needed. For this system, no maximum shows up for the astrophysical S-factor so that we have no evidence for hindrance, as confirmed by the comparison with CC calculations. The logarithmic derivative of the two symmetric systems highlights their different low energy trend. A difference can also be noted in the two barrier distributions, where the high-energy peak present in 28Si+28Si is not observed for 30Si+30Si, probably due to the weaker couplings in last case.

Growth of amorphous and epitaxial ZnSiP 2–Si alloys on Si

DOE PAGES

Martinez, Aaron D.; Miller, Elisa M.; Norman, Andrew G.; ...

2018-01-30

ZnSiP 2is a wide band gap material lattice matched with Si, with potential for Si-based optoelectronics. Here, amorphous ZnSiP 2–Si alloys are grown with tunable composition. Films with Si-rich compositions can be crystallized into epitaxial films.

A multilayered approach of Si/SiO to promote carrier transport in electroluminescence of Si nanocrystals

PubMed Central

2012-01-01

The electroluminescence (EL) and photoluminescence of Si nanocrystals (Si-nc) from multilayered samples of Si/SiO are investigated. Si-nc are formed within Si and SiO layers after furnace annealing. It is found that the presence of Si interlayers creates extra carrier paths for EL emission. A comparative study is further performed on a multilayered Si/SiO sample and a single-layered one with Si and SiO homogeneously mixed. Both samples have the same ratio of Si to O and the same contents of Si and O. The multilayered sample is found to have higher EL intensity, less turn-on voltage, lower resistance, and higher current efficiency than the single-layered one. The results indicate that Si interlayers in Si/SiO may act as carrier channels, which promote carrier transport and enhance the EL emission of Si-nc. PMID:22448989

Coulomb excitation of radioactive 20, 21Na

NASA Astrophysics Data System (ADS)

Schumaker, M. A.; Cline, D.; Hackman, G.; Pearson, C.; Svensson, C. E.; Wu, C. Y.; Andreyev, A.; Austin, R. A. E.; Ball, G. C.; Bandyopadhyay, D.; Becker, J. A.; Boston, A. J.; Boston, H. C.; Buchmann, L.; Churchman, R.; Cifarelli, F.; Cooper, R. J.; Cross, D. S.; Dashdorj, D.; Demand, G. A.; Dimmock, M. R.; Drake, T. E.; Finlay, P.; Gallant, A. T.; Garrett, P. E.; Green, K. L.; Grint, A. N.; Grinyer, G. F.; Harkness, L. J.; Hayes, A. B.; Kanungo, R.; Lisetskiy, A. F.; Leach, K. G.; Lee, G.; Maharaj, R.; Martin, J.-P.; Moisan, F.; Morton, A. C.; Mythili, S.; Nelson, L.; Newman, O.; Nolan, P. J.; Orce, J. N.; Padilla-Rodal, E.; Phillips, A. A.; Porter-Peden, M.; Ressler, J. J.; Roy, R.; Ruiz, C.; Sarazin, F.; Scraggs, D. P.; Waddington, J. C.; Wan, J. M.; Whitbeck, A.; Williams, S. J.; Wong, J.

2009-12-01

The low-energy structures of the radioactive nuclei 20, 21Na have been examined using Coulomb excitation at the TRIUMF-ISAC radioactive ion beam facility. Beams of ˜ 5×106 ions/s were accelerated to 1.7MeV/A and Coulomb excited in a 0.5mg/cm^2 natTi target. Two TIGRESS HPGe clover detectors perpendicular to the beam axis were used for γ -ray detection, while scattered nuclei were observed by the Si detector BAMBINO. For 21Na , Coulomb excitation from the 3/2+ ground state to the first excited 5/2+ state was observed, while for 20Na , Coulomb excitation was observed from the 2+ ground state to the first excited 3+ and 4+ states. For both beams, B ( λ L) values were determined using the 2+ rightarrow 0+ de-excitation in 48Ti as a reference. The resulting B( E2) ↓ value for 21Na is 137±9 e^2fm^4, while the resulting B( λ L) ↓ values for 20Na are 55±6 e^2fm^4 for the 3+ rightarrow 2+ , 35.7±5.7 e^2 fm^4 for the 4+ rightarrow 2+ , and 0.154±0.030 μ_ N^2 for the 4+ rightarrow 3+ transitions. This analysis significantly improves the measurement of the 21Na B( E2) value, and provides the first experimental determination of B( λ L) values for the proton dripline nucleus 20Na .-1

Effect of neutron-irradiation on optical properties of SiO2-Na2O-MgO-Al2O3 glasses

NASA Astrophysics Data System (ADS)

Sandhu, Amanpreet Kaur; Singh, Surinder; Pandey, Om Prakash

2009-07-01

Silica based glasses are used as nuclear shielding materials. The effect of radiation on these glasses varies as per the constituents used in these glasses. Glasses of different composition of SiO2-Na2OMgO-Al2O3 were made by melt casting techniques. These glasses were irradiated with neutrons of different fluences. Optical absorption measurements of neutron-irradiated silica based glasses were performed at room temperature (RT) to detect and characterize the induced radiation damage in these materials. The absorption band found for neutron-irradiated glasses are induced by hole type color centers related to non-bridging oxygen ions (NBO) located in different surroundings of glass matrix. Decrease in the transmittance indicates the formation of color-center defects. Values for band gap energy and the width of the energy tail above the mobility gap have been measured before and after irradiation. The band gap energy has been found to decrease with increasing fluence while the Urbach energy shows an increase. The effects of the composition of the glasses on these parameters have been discussed in detail in this paper.

(Sr{sub 1-x}Na{sub x})(Cd{sub 1-x}Mn{sub x}){sub 2}As{sub 2}: A new charge and spin doping decoupled diluted magnetic semiconductors with CaAl{sub 2}Si{sub 2}-type structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Bijuan; Deng, Zheng; Li, Wenmin

2016-08-28

We report the synthesis and characterization of a new bulk diluted ferromagnetic semiconductor via Na and Mn co-doping in SrCd{sub 2}As{sub 2} with a hexagonal CaAl{sub 2}Si{sub 2}-type structure. Together with carrier doping via (Sr,Na) substitution, spin doping via (Cd,Mn) substitution results in ferromagnetic order with Curie temperature of T{sub C} up to 13 K. Negative magnetoresistance is assigned to weak localization at low temperatures, where the magnetization of samples becomes saturated. The hexagonal structure of (Sr{sub 1−x}Na{sub x})(Cd{sub 1−x}Mn{sub x}){sub 2}As{sub 2} can be acted as a promising candidate for spin manipulations owing to its relatively small coercive field ofmore » less than 24 Oe.« less

Thermal Treatment, Sliding Wear and Saline Corrosion of Al In Situ Reinforced with Mg2Si and Ex Situ Reinforced with TiC Particles

NASA Astrophysics Data System (ADS)

Lekatou, A. G.; Poulia, A.; Mavros, H.; Karantzalis, A. E.

2018-02-01

The main objective of this work is to produce a composite consisting of (a) a cast heat-treatable Al-Mg-Si alloy with high contents of Mg for corrosion resistance and Si to offset the Mg-due poor castability (in situ hypoeutectic Mg2Si/Al composite) and (b) TiC particles at high enough volume fractions (≤ 15%), in order to achieve a satisfactory combination of wear and corrosion performance. TiCp/Al-7Mg-5Si (wt.%) composites were produced by flux-assisted casting followed by solution and aging heat treatment. Solution treatment led to a relatively uniform dispersion and shape rounding of Mg2Si precipitates and Si particles. TiC particle addition resulted in refinement of primary Al, modification of the Mg2Si Chinese script morphology and refinement/spheroidization of primary Mg2Si. Heat treatment combined with TiC addition notably improved the sliding wear resistance of Al-7Mg-5Si. A wear mechanism has been proposed. The TiC/Al interfaces remained intact of corrosion during potentiodynamic polarization of the heat-treated materials in 3.5 wt.% NaCl. Different main forms of localized corrosion in 3.5 wt.% NaCl were identified for each TiC content (0, 5, 15 vol.%), depending on specific degradation favoring microstructural features (topology/size/interface wetting) at each composition.

The localization and crystallographic dependence of Si suboxide species at the SiO2/Si interface

NASA Technical Reports Server (NTRS)

Grunthaner, P. J.; Hecht, M. H.; Grunthaner, F. J.; Johnson, N. M.

1987-01-01

X-ray photoemission spectroscopy has been used to examine the localization and crystallographic dependence of Si(+), Si(2+), and Si(3+) suboxide states at the SiO2/Si interface for (100)and (111)-oriented substrates with gate oxide quality thermal oxides. The Si(+) and Si(2+) states are localized within 6-10 A of the interface while the Si(3+) state extends about 30 A into the bulk SiO2. The distribution of Si(+) and Si(2+) states shows a strong crystallographic dependence with Si(2+) dominating on (100) substrates and Si(+) dominating on (111) substrates. This crystallographic dependence is anticipated from consideration of ideal unreconstructed (100) and (111) Si surfaces, suggesting that (1) the Si(+) and Si(2+) states are localized immediately within the first monolayer at the interface and (2) the first few monolayers of substrate Si atoms are not significantly displaced from the bulk. The total number of suboxide states observed at the SiO2/Si interface corresponds to 94 and 83 percent of a monolayer for these (100) and (111) substrates, respectively.

Amorphous and nanocrystalline luminescent Si and Ge obtained via a solid-state chemical metathesis synthesis route

NASA Astrophysics Data System (ADS)

McMillan, Paul F.; Gryko, Jan; Bull, Craig; Arledge, Richard; Kenyon, Anthony J.; Cressey, Barbara A.

2005-03-01

A new solid-state metathesis synthesis route was applied to obtain bulk samples of amorphous or microcrystalline Si and Ge. The method involves reaction of Zintl phases such as NaSi or NaGe, with ammonium or metal (e.g., CuCl, CoBr 2) halides. The driving force for the solid-state reaction is provided by the formation of alkali halides and the transition metals or metal silicides, or gaseous ammonia and hydrogen. The semiconductors were purified by washing to remove other solid products. The amorphous semiconductors were obtained in bulk form from reactions carried out at 200-300 °C. Syntheses at higher temperatures gave rise to microcrystalline semiconductors, or to micro-/nanocrystalline particles contained within the amorphous material. Similar crystalline/amorphous composites were obtained after heat treatment of bulk amorphous materials.

Solution-derived sodalite made with Si- and Ge-ethoxide precursors for immobilizing electrorefiner salt

NASA Astrophysics Data System (ADS)

Riley, Brian J.; Lepry, William C.; Crum, Jarrod V.

2016-01-01

Chlorosodalite has the general form of Na8(AlSiO4)6Cl2 and this paper describes experiments conducted to synthesize sodalite with a solution-based approach to immobilize a simulated spent electrorefiner salt solution containing a mixture of alkali, alkaline earth, and lanthanide chlorides. The reactants used were the salt solution, NaAlO2, and either Si(OC2H5)4 or Ge(OC2H5)4. Additionally, seven different glass sintering aids (at loadings of 5 mass%) were evaluated as sintering aids for consolidating the as-made powders using a cold-press-and-sinter technique. This process of using alkoxide additives for the Group IV component can be used to produce large quantities of sodalite at near-room temperature as compared to a method where colloidal silica was used as the silica source. However, the small particle sizes inhibited densification during heat treatments.

Solution-derived sodalite made with Si- and Ge-ethoxide precursors for immobilizing electrorefiner salt

DOE Office of Scientific and Technical Information (OSTI.GOV)

Riley, Brian J.; Lepry, William C.; Crum, Jarrod V.

Chlorosodalite has the general form of Na8(AlSiO4)6Cl2 and this paper describes experiments conducted to synthesize sodalite to immobilize a mixed chloride salt using solution-based techniques. Sodalites were made using different Group IV contributions from either Si(OC2H5)4 or Ge(OC2H5)4, NaAlO2, and a simulated spent electrorefiner salt solution containing a mixture of alkali, alkaline earth, and lanthanide chlorides. Additionally, 6 glass binders at low loadings of 5 mass% were evaluated as sintering aids for the consolidation process. The approach of using the organic Group IV additives can be used to produce large quantities of sodalite at room temperature and shows promise overmore » a method where colloidal silica is used as the silica source. However, the small particle sizes inhibited densification during pressure-less sintering.« less

Comparison of low frequency charge noise in identically patterned Si/SiO{sub 2} and Si/SiGe quantum dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Freeman, Blake M.; Schoenfield, Joshua S.; Jiang, HongWen

We investigate and compare the charge noise in Si/SiO{sub 2} and Si/SiGe gate defined quantum dots with identically patterned gates by measuring the low frequency 1/f current noise through the biased quantum dots in the coulomb blockade regime. The current noise is normalized and used to extract a measurement of the potential energy noise in the system. Additionally, the temperature dependence of this noise is investigated. The measured charge noise in Si/SiO{sub 2} compares favorably with that of the SiGe device as well as previous measurements made on other substrates suggesting Si/SiO{sub 2} is a potential candidate for spin basedmore » quantum computing.« less

Microstructure and Mechanical Property of SiCf/SiC and Cf/SiC Composites

NASA Astrophysics Data System (ADS)

Lee, S. P.; Cho, K. S.; Lee, H. U.; Lee, J. K.; Bae, D. S.; Byun, J. H.

2011-10-01

The mechanical properties of SiC based composites reinforced with different types of fabrics have been investigated, in conjunction with the detailed analyses of their microstructures. The thermal shock properties of SiCf/SiC composites were also examined. All composites showed a dense morphology in the matrix region. Carbon coated PW-SiCf/SiC composites had a good fracture energy, even if their strength was lower than that of PW-Cf/SiC composites. SiCf/SiC composites represented a great reduction of flexural strength at the thermal shock temperature difference of 300 °C.

Kapitza resistance of Si/SiO2 interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bowen Deng; Aleksandr Chenatynskiy; Marat Khafizov

2014-02-01

A phonon wave packet dynamics method is used to characterize the Kapitza resistance of a Si/SiO2 interface in a Si/SiO2/Si heterostructure. By varying the thickness of SiO2 layer sandwiched between two Si layers, we determine the Kapitza resistance for the Si/SiO2 interface from both wave packet dynamics and a direct, non-equilibrium molecular dynamics approach. The good agreement between the two methods indicates that they have each captured the anharmonic phonon scatterings at the interface. Moreover, detailed analysis provides insights as to how individual phonon mode scatters at the interface and their contribution to the Kapitza resistance.

p-BaSi2/n-Si heterojunction solar cells on Si(001) with conversion efficiency approaching 10%: comparison with Si(111)

NASA Astrophysics Data System (ADS)

Deng, Tianguo; Sato, Takuma; Xu, Zhihao; Takabe, Ryota; Yachi, Suguru; Yamashita, Yudai; Toko, Kaoru; Suemasu, Takashi

2018-06-01

B-doped p-BaSi2 epitaxial layers with a hole concentration of 1.1 × 1018 cm‑3 were grown on n-Si(001) using molecular beam epitaxy to fabricate p-BaSi2/n-Si solar cells. The thickness (d) of the p-BaSi2 layer was varied from 20 to 60 nm to investigate its effect on the solar cell performance. The conversion efficiency under an AM1.5 illumination increased with d reaching a maximum of 9.8% at d = 40 nm, which is nearly equal to the highest efficiency (9.9%) for p-BaSi2/n-Si solar cells on Si(111). This study indicated that Si(001) substrates are promising for use in BaSi2 solar cells.

Alkali (Li, K and Na) and alkali-earth (Be, Ca and Mg) adatoms on SiC single layer

NASA Astrophysics Data System (ADS)

Baierle, Rogério J.; Rupp, Caroline J.; Anversa, Jonas

2018-03-01

First-principles calculations within the density functional theory (DFT) have been addressed to study the energetic stability, and electronic properties of alkali and alkali-earth atoms adsorbed on a silicon carbide (SiC) single layer. We observe that all atoms are most stable (higher binding energy) on the top of a Si atom, which moves out of the plane (in the opposite direction to the adsorbed atom). Alkali atoms adsorbed give raise to two spin unpaired electronic levels inside the band gap leading the SiC single layer to exhibit n-type semiconductor properties. For alkaline atoms adsorbed there is a deep occupied spin paired electronic level inside the band gap. These finding suggest that the adsorption of alkaline and alkali-earth atoms on SiC layer is a powerful feature to functionalize two dimensional SiC structures, which can be used to produce new electronic, magnetic and optical devices as well for hydrogen and oxygen evolution reaction (HER and OER, respectively). Furthermore, we observe that the adsorption of H2 is ruled by dispersive forces (van der Waals interactions) while the O2 molecule is strongly adsorbed on the functionalized system.

Enhancement of magnetocaloric effect in mischmetal doped La-Fe-Si alloys

NASA Astrophysics Data System (ADS)

Wang, Gaofeng; Zhao, Zengru; Zhang, Xuefeng; Ma, Qiang; Li, Yongfeng; Liu, Yanli; Mu, Lijuan; Zhang, Yan

2018-05-01

The influence of partial substitution of mischmetal on the structure, Curie temperature and magnetocaloric effect has been investigated in La1-xMxFe11.5Si1.5 alloys. X-ray diffraction patterns indicate the alloys crystallize mainly in NaZn13-type cubic structure and the amount of secondary α-Fe phase obviously reduces in the mischmetal doped alloys. As the content of mischmetal increases, the Curie temperature is reduced from 198.1 K for x = 0 to 184.2 K for x = 0.3 and the thermal hysteresis is enlarged from 3.5 K for x = 0 to 8.2 K for x = 0.3. Upon a field change from 0 to 3 T, the obtained maximum isothermal entropy change values are 17.2, 19.8, 37.8 and 47.9 J/kgK for x = 0, 0.1, 0.2 and 0.3, respectively. The entropy changes due to the latent heat of first-order transitions are estimated to be 11.3, 14.7, 18.5 and 23.4 J/kgK for x = 0, 0.1, 0.2 and 0.3, respectively. The enhancement of giant magnetocaloric MCE in La1-xMxFe11.5Si1.5 alloys originates from the strengthened itinerant electron metamagnetic transitions by adding the mischmetal. Our result suggests that the mischmetal doped NaZn13-type La-Fe-Si alloys are potential candidates of refrigerants for magnetic refrigeration.

Effects of hydrogen fugacity and confining pressure on the interdiffusion rate of NaSi-CaAl in plagioclase

NASA Astrophysics Data System (ADS)

Yund, Richard A.; Snow, Eleanour

1989-08-01

Average? values for NaSi-CaAl interdiffusion in the compositional interval from An0 to An26 have been determined at 1000°C by the method of lamellar homogenization. At 1500 MPa confining pressure (P), ? increases 1 order of magnitude (5.0×10-21 to 4.0×10-20 m2/s) for 4 orders of magnitude increase in hydrogen fugacity (0.029, Mn3O4-Mn2O3 buffer, to 197 MPa, FeO-Fe3O4 buffer). At constant hydrogen fugacity (fH2), ? increases rapidly at low pressure and becomes nearly independent of P above 1000 MPa. (For fH2 = 0.1 MPa, ? = 2.8 × 10-22 m2/s at P = 0.1 MPa, 5.0 × 10-21 at P = 500, 1.3×10-20 at P = 1000, and 1.4×10-20 at P = 1500). The dependence of ? on increasing pressure, when a hydrogen-related species is present, is believed to be due to an increase in the concentration of the structural defect associated with increase in the hydrogen impurity. In most crustal igneous rocks, which are internally buffered near quartz-fayalite-magnetite, the dependence of ? on fH2 is relatively minor compared to the effect of confining pressure.

SiC Nanoparticles Toughened-SiC/MoSi2-SiC Multilayer Functionally Graded Oxidation Protective Coating for Carbon Materials at High Temperatures

NASA Astrophysics Data System (ADS)

Abdollahi, Alireza; Ehsani, Naser; Valefi, Zia; Khalifesoltani, Ali

2017-05-01

A SiC nanoparticle toughened-SiC/MoSi2-SiC functionally graded oxidation protective coating on graphite was prepared by reactive melt infiltration (RMI) at 1773 and 1873 K under argon atmosphere. The phase composition and anti-oxidation behavior of the coatings were investigated. The results show that the coating was composed of MoSi2, α-SiC and β-SiC. By the variations of Gibbs free energy (calculated by HSC Chemistry 6.0 software), it could be suggested that the SiC coating formed at low temperatures by solution-reprecipitation mechanism and at high temperatures by gas-phase reactions and solution-reprecipitation mechanisms simultaneously. SiC nanoparticles could improve the oxidation resistance of SiC/MoSi2-SiC multiphase coating. Addition of SiC nanoparticles increases toughness of the coating and prevents spreading of the oxygen diffusion channels in the coating during the oxidation test. The mass loss and oxidation rate of the SiC nanoparticle toughened-SiC/MoSi2-SiC-coated sample after 10-h oxidation at 1773 K were only 1.76% and 0.32 × 10-2 g/cm3/h, respectively.

a-Si:H/SiNW shell/core for SiNW solar cell applications

PubMed Central

2013-01-01

Vertically aligned silicon nanowires have been synthesized by the chemical etching of silicon wafers. The influence of a hydrogenated amorphous silicon (a-Si:H) layer (shell) on top of a silicon nanowire (SiNW) solar cell has been investigated. The optical properties of a-Si:H/SiNWs and SiNWs are examined in terms of optical reflection and absorption properties. In the presence of the a-Si:H shell, 5.2% reflection ratio in the spectral range (250 to 1,000 nm) is achieved with a superior absorption property with an average over 87% of the incident light. In addition, the characteristics of the solar cell have been significantly improved, which exhibits higher open-circuit voltage, short-circuit current, and efficiency by more than 15%, 12%, and 37%, respectively, compared with planar SiNW solar cells. Based on the current–voltage measurements and morphology results, we show that the a-Si:H shell can passivate the defects generated by wet etching processes. PMID:24195734

Amorphous and nanocrystalline luminescent Si and Ge obtained via a solid-state chemical metathesis synthesis route

DOE Office of Scientific and Technical Information (OSTI.GOV)

McMillan, Paul F.; Gryko, Jan; Bull, Craig

A new solid-state metathesis synthesis route was applied to obtain bulk samples of amorphous or microcrystalline Si and Ge. The method involves reaction of Zintl phases such as NaSi or NaGe, with ammonium or metal (e.g., CuCl, CoBr{sub 2}) halides. The driving force for the solid-state reaction is provided by the formation of alkali halides and the transition metals or metal silicides, or gaseous ammonia and hydrogen. The semiconductors were purified by washing to remove other solid products. The amorphous semiconductors were obtained in bulk form from reactions carried out at 200-300{sup o}C. Syntheses at higher temperatures gave rise tomore » microcrystalline semiconductors, or to micro-/nanocrystalline particles contained within the amorphous material. Similar crystalline/amorphous composites were obtained after heat treatment of bulk amorphous materials.« less

Preparation and characterization of the silicon clathrate NaxSi{136} (x -> 0)

NASA Astrophysics Data System (ADS)

Ammar, A.; Cros, C.; Pouchard, M.; Jaussaud, N.; Bassat, J.-M.; Villeneuve, G.; Reny, E.

2005-03-01

The type-II silicon clathrate, NaxSi{136}, having a residual sodium content as low as 37 ppm (x = 0.0062) has been prepared by thermal decomposition of NaSi under high vacuum in the temperature range 340-420 ° C followed by subsequent treatments under high vacuum, and completed by several treaments with iodine at 300-350 ° C. The final sample was characterized by XRD, chemical analysis and EPR spectroscopy. This latter technique proved to be particularly suitable to the characterization of highly diluted sodium atoms in the open host lattice of a type II clathrate of silicon and the quantitaive determination of the residual sodium content

Adsorption of proteins on γ-Fe2O3 and γ-Fe2O3/SiO2 magnetic materials

NASA Astrophysics Data System (ADS)

Khokhlova, T. D.

2017-10-01

γ-Fe2O3-SiO2 composites are synthesized via the coprecipitation of a γ-Fe2O3 magnetic carrier (with specific surface S = 17 m2/g and pore volume V = 0.51 cm3/g) and silicon dioxide from an aqueous glass (sodium silicate) solution. The effect coagulation agent NaCl has on the coprecipitation process and structural characteristics of the composite is discussed. Adding NaCl to the aqueous glass solution prevents the formation of SiO2 macrogel making it possible to obtain highly porous composites with high adsorption capacity for proteins cytochrome C and hemoglobin. It is established that a composite that is 50% SiO2 and produced with the addition of 5% NaCl ( S = 150 m2/g and V = 0.87 cm3/g) has a sixfold and twofold higher capacity (280 and 175 mg/g) for cytochrome C and hemoglobin, respectively, than the initial ferric oxide (45 and 82 mg/g). The capacity for cytochrome C and hemoglobin of a composite synthesized without NaCl ( S = 50 m2/g and V = 0.45 cm3/g) is 19 and 20 mg/g, respectively, which is twofold and fourfold lower than those of the initial γ-Fe2O3. The dependence of protein adsorption on pH and the ionic strength of a solution is studied, and the conditions for the maximum adsorption and complete desorption of proteins are established. It is concluded that composites synthesized with additions of NaCl can be used as magnetocontrollable sorbents for the purification, concentration, and immobilization of proteins, and for the preparation of biocatalysts based on immobilized enzymes.

Synthetic ANaB(Na x Li1 - x Mg1)CMg5Si8O22(OH)2 (with x = 0.6, 0.2 and 0) P21/ m amphiboles at high pressure: a synchrotron infrared study

NASA Astrophysics Data System (ADS)

Iezzi, Gianluca; Liu, Zhenxian; Della Ventura, Giancarlo

2009-06-01

The high-pressure behavior of three synthetic amphiboles crystallized with space group P21/ m at room conditions in the system Li2O-Na2O-MgO-SiO2-H2O has been studied by in situ synchrotron infrared absorption spectroscopy. The amphiboles have compositions ANa B(Na x Li1 - x Mg1) CMg5 Si8 O22(OH)2 with x = 0.6, 0.2 and 0.0, respectively. The high- P experiments up to 32 GPa were carried out on the U2A beamline at Brookhaven National Laboratory (NY, USA) using a diamond anvil cell under non-hydrostatic or quasi-hydrostatic conditions. The two most intense absorption bands in the OH-stretching infrared spectra can be assigned to two non-equivalent O-H dipoles in the P21/ m structure, bonded to the same local environment M1M3Mg3-OH-ANa, and pointing toward two differently kinked tetrahedral rings. In all samples these bands progressively merge to give a unique symmetrical absorption with increasing pressure, suggesting a change in symmetry from P21/ m to C2/ m. The pressure at which the transition occurs appears to be linearly correlated to the aggregate B-site dimension. The infrared spectra collected for amphibole B(Na0.2Li0.8Mg1) in the frequency range 50 to 1,400 cm-1 also show a series of changes with increasing pressure. The data reported here support the inference of Iezzi et al. (Am Miner 91:479-482, 2006a) regarding a new high-pressure amphibole polymorph.

Fabrication of Si heterojunction solar cells using P-doped Si nanocrystals embedded in SiNx films as emitters

PubMed Central

2013-01-01

Si heterojunction solar cells were fabricated on p-type single-crystal Si (sc-Si) substrates using phosphorus-doped Si nanocrystals (Si-NCs) embedded in SiNx (Si-NCs/SiNx) films as emitters. The Si-NCs were formed by post-annealing of silicon-rich silicon nitride films deposited by electron cyclotron resonance chemical vapor deposition. We investigate the influence of the N/Si ratio in the Si-NCs/SiNx films on their electrical and optical properties, as well as the photovoltaic properties of the fabricated heterojunction devices. Increasing the nitrogen content enhances the optical gap E04 while deteriorating the electrical conductivity of the Si-NCs/SiNx film, leading to an increased short-circuit current density and a decreased fill factor of the heterojunction device. These trends could be interpreted by a bi-phase model which describes the Si-NCs/SiNx film as a mixture of a high-transparency SiNx phase and a low-resistivity Si-NC phase. A preliminary efficiency of 8.6% is achieved for the Si-NCs/sc-Si heterojunction solar cell. PMID:24188725

Formation of hydroxyapatite onto glasses of the CaO-MgO-SiO2 system with B2O3, Na2O, CaF2 and P2O5 additives.

PubMed

Agathopoulos, S; Tulyaganov, D U; Ventura, J M G; Kannan, S; Karakassides, M A; Ferreira, J M F

2006-03-01

New bioactive glasses with compositions based on the CaO-MgO-SiO(2) system and additives of B(2)O(3), P(2)O(5), Na(2)O, and CaF(2) were prepared. The in vitro mineralization behaviour was tested by immersion of powders or bulk glasses in simulated body fluid (SBF). Monitoring of ionic concentrations in SBF and scanning electron microscopy (SEM) observations at the surface of the glasses were conducted over immersion time. Raman and infrared (IR) spectroscopy shed light on the structural evolution occurring at the surface of the glasses that leads to formation of hydroxyapatite.

A study of low threshold and high gain Nd3+ ions doped SiO2-B2O3-Na2CO3-NaF-CaF2 glasses for NIR laser applications

NASA Astrophysics Data System (ADS)

Megala, Rajesh; Gowthami, T.; John Sushma, N.; Kamala, S.; Deva Prasad Raju, B.

2018-05-01

Fluoroborosilicate glasses of composition 35SiO2-25B2O3-10Na2CO3-15NaF-15CaF2-xNd2O3 (where x = 0.1, 0.5. 1.0, 2.0 mol%) were prepared by melt quenching technique and various physical properties have been calculated. From the absorption spectra J-O Intensity parameters Ωλ (λ = 2, 4, 6) and radiative properties are evaluated by using J-O theory. The high values of Ω2 = 4.213 × 10-20 cm2, Ω4 = 5.345 × 10-20 cm2, Ω6 = 5.526 × 10-20 cm2 suggest that among the prepared glasses 0.5 mol% Nd glass is more asymmetric, more covalent and rigid in nature. The emission spectra were recorded with 808 nm laser as excitation source. The strong NIR emissions were observed at 876 nm, 1056 nm, 1328 nm corresponding to the transitions 4F3/2 → 4I9/2, 4F3/2 → 4I11/2, 4F3/2 → 4I13/2 respectively. Stimulated emission cross -section (σemi) and Gain bandwidth (σemi × Δλeff) were calculated. For 0.5 mol% Nd these values are found to be 3.30 × 10-20 cm2, 11 × 10-26 cm2. From the decay curve analysis the lifetime values for 4F3/2 level have been determined and these values are decreased with increase in Nd3+ ions concentration. These results may suggest that the prepared SBNCNd05 (Nd = 0.5 mol%) glass could be useful for 1056 nm laser applications.

Nanocrystalline Si pathway induced unipolar resistive switching behavior from annealed Si-rich SiN{sub x}/SiN{sub y} multilayers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Xiaofan; Ma, Zhongyuan, E-mail: zyma@nju.edu.cn; Yang, Huafeng

2014-09-28

Adding a resistive switching functionality to a silicon microelectronic chip is a new challenge in materials research. Here, we demonstrate that unipolar and electrode-independent resistive switching effects can be realized in the annealed Si-rich SiN{sub x}/SiN{sub y} multilayers with high on/off ratio of 10{sup 9}. High resolution transmission electron microscopy reveals that for the high resistance state broken pathways composed of discrete nanocrystalline silicon (nc-Si) exist in the Si nitride multilayers. While for the low resistance state the discrete nc-Si regions is connected, forming continuous nc-Si pathways. Based on the analysis of the temperature dependent I-V characteristics and HRTEM photos,more » we found that the break-and-bridge evolution of nc-Si pathway is the origin of resistive switching memory behavior. Our findings provide insights into the mechanism of the resistive switching behavior in nc-Si films, opening a way for it to be utilized as a material in Si-based memories.« less

Ilyukhinite (H3O,Na)14Ca6Mn2Zr3Si26O72(OH)2 • 3H2O, a New Mineral of the Eudialyte Group

NASA Astrophysics Data System (ADS)

Chukanov, N. V.; Rastsvetaeva, R. K.; Rozenberg, K. A.; Aksenov, S. M.; Pekov, I. V.; Belakovsky, D. I.; Kristiansen, R.; Van, K. V.

2017-12-01

A new eudialyte-group mineral, ilyukhinite, ideally (H3O,Na)14Ca6Mn2Zr3Si26O72(OH)2 · 3H2O, has been found in peralkaline pegmatite at Mt. Kukisvumchorr, Khibiny alkaline pluton, Kola Peninsula, Russia. It occurs as brownish orange, with vitreous luster anhedral grains up to 1 mm across in hydrothermally altered peralkaline rock, in association with aegirine, murmanite, albite, microcline, rhabdophane-(Ce), fluorite, sphalerite and molybdenite. The Mohs hardness is 5; cleavage is not observed. D meas 2.67(2), D calc 2.703 g/cm3. Ilyukhinite is optically uniaxial (-): ω = 1.585(2), ɛ = 1.584(2). The IR spectrum is given. The average chemical composition of ilyukhinite (wt %; electron microprobe, ranges given in parentheses; H2O determined by gas chromatography) is as follows: 3.07 (3.63-4.43) Na2O, 0.32 (0.28-0.52) K2O, 10.63 (10.26-10.90) CaO, 3.06 (2.74-3.22) MnO, 1.15 (0.93-1.37) FeO, 0.79 (0.51-0.89) La2O3, 1.21 (0.97-1.44) Ce2O3, 0.41 (0.30-0.56) Nd2O3, 0.90 (0.77-1.12) TiO2, 10.94 (10.15-11.21) ZrO2, 1.40 (0.76-1.68) Nb2O5, 51.24 (49.98-52.28) SiO2, 1.14 (0.89-1.37) SO3, 0.27 (0.19—0.38) Cl, 10.9(5 )H2O,-0.06-O = C1, total is 98.27. The empirical formula is H36.04(Na3.82K0.20)(Ca5.65Ce0.22La0.14Nd0.07)(Mn1.285Fe0.48)(Zr2.645Ti0.34)Nb0.31Si25.41S0.42Cl0.23O86.82. The crystal structure has been solved ( R = 0.046). Ilyukhinite is trigonal, R3 m; a = 14.1695(6) Å, b = 31.026(1) Å, V = 5394.7(7) Å3, Z = 3. The strongest XRD reflections [ d, Å (I, %) ( hkl)] are 11.44 (82) (101), 7.09 (70) (110), 6.02 (44) (021), 4.371 (89) 205), 3.805 (47) (303, 033), 3.376 (41) (131), 2.985 (100) (315, 128), 2.852 (92) (404). Ilyukhinite was named in memory of Vladimir V. Ilyukhin (1934-1982), an outstanding Soviet crystallographer. The type specimen of ilyukhinite has been deposited in the collection of the Natural History Museum, University of Oslo, Norway.

Reaction mechanisms at 4H-SiC/SiO2 interface during wet SiC oxidation

NASA Astrophysics Data System (ADS)

Akiyama, Toru; Hori, Shinsuke; Nakamura, Kohji; Ito, Tomonori; Kageshima, Hiroyuki; Uematsu, Masashi; Shiraishi, Kenji

2018-04-01

The reaction processes at the interface between SiC with 4H structure (4H-SiC) and SiO2 during wet oxidation are investigated by electronic structure calculations within the density functional theory. Our calculations for 4H-SiC/SiO2 interfaces with various orientations demonstrate characteristic features of the reaction depending on the crystal orientation of SiC: On the Si-face, the H2O molecule is stable in SiO2 and hardly reacts with the SiC substrate, while the O atom of H2O can form Si-O bonds at the C-face interface. Two OH groups are found to be at least necessary for forming new Si-O bonds at the Si-face interface, indicating that the oxidation rate on the Si-face is very low compared with that on the C-face. On the other hand, both the H2O molecule and the OH group are incorporated into the C-face interface, and the energy barrier for OH is similar to that for H2O. By comparing the calculated energy barriers for these reactants with the activation energies of oxide growth rate, we suggest the orientation-dependent rate-limiting processes during wet SiC oxidation.

Bioactivity of Y2O3 and CeO2 doped SiO2-SrO-Na2O glass-ceramics.

PubMed

Placek, L M; Keenan, T J; Wren, A W

2016-08-01

The bioactivity of yttrium and cerium are investigated when substituted for Sodium (Na) in a 0.52SiO2-0.24SrO-0.24-xNa2O-xMO glass-ceramics (where x = 0.08 and MO = Y2O3 or CeO2). Bioactivity is monitored through pH and inductively coupled plasma-optical emission spectrometry where pH of simulated body fluid ranged from 7.5 to 7.6 and increased between 8.2 and 10.0 after 14-day incubation with the glass-ceramic disks. Calcium (Ca) and phosphorus (P) levels in simulated body fluid after incubation with yttrium and cerium containing disks show a continual decline over the 14-day period. In contrast, Con disks (not containing yttrium or cerium) caused the elimination of Ca in solution after 1 day and throughout the incubation period, and initially showed a decline in P levels followed by an increase at 14 days. Scanning electron microscopy and energy dispersive spectroscopy confirmed the presence of Ca and P on the surface of the simulated body fluid-incubated disks and showed precipitates on Con and HCe (8 mol% cerium) samples. Cell viability of MC3T3 osteoblasts was not significantly affected at a 9% extract concentration. Optical microscopy after 24 h cell incubation with disks showed that Con samples do not support osteoblast or Schwann cell growth, while all yttrium and cerium containing disks have direct contact with osteoblasts spread across the wells. Schwann cells attached in all wells, but only showed spreading with the HY-S (8 mol% yttrium, heated to sintering temperature) and YCe (4 mol% yttrium and cerium) disks. Scanning electron microscopy of the compatible disks shows osteoblast and sNF96.2 Schwann cells attachment and spreading directly on the disk surfaces. © The Author(s) 2016.

Medium-Range Structural Organization of Phosphorus-Bearing Borosilicate Glasses Revealed by Advanced Solid-State NMR Experiments and MD Simulations: Consequences of B/Si Substitutions.

PubMed

Yu, Yang; Stevensson, Baltzar; Edén, Mattias

2017-10-19

The short and intermediate range structures of a large series of bioactive borophosphosilicate (BPS) glasses were probed by solid-state nuclear magnetic resonance (NMR) spectroscopy and atomistic molecular dynamics (MD) simulations. Two BPS glass series were designed by gradually substituting SiO 2 by B 2 O 3 in the respective phosphosilicate base compositions 24.1Na 2 O-23.3CaO-48.6SiO 2 -4.0P 2 O 5 ("S49") and 24.6Na 2 O-26.7CaO-46.1SiO 2 -2.6P 2 O 5 ("S46"), the latter constituting the "45S5 Bioglass" utilized for bone grafting applications. The BPS glass networks are built by interconnected SiO 4 , BO 4 , and BO 3 moieties, whereas P exists mainly as orthophosphate anions, except for a minor network-associated portion involving P-O-Si and P-O-B [4] motifs, whose populations were estimated by heteronuclear 31 P{ 11 B} NMR experimentation. The high Na + /Ca 2+ contents give fragmented glass networks with large amounts of nonbridging oxygen (NBO) anions. The MD-generated glass models reveal an increasing propensity for NBO accommodation among the network units according to BO 4 < SiO 4 < BO 3 ≪ PO 4 . The BO 4 /BO 3 intermixing was examined by double-quantum-single-quantum correlation 11 B NMR experiments, which evidenced the presence of all three BO 3 -BO 3 , BO 3 -BO 4 , and BO 4 -BO 4 connectivities, with B [3] -O-B [4] bridges dominating. Notwithstanding that B [4] -O-B [4] linkages are disfavored, both NMR spectroscopy and MD simulations established their presence in these modifier-rich BPS glasses, along with non-negligible B [4] -NBO contacts, at odds with the conventional structural view of borosilicate glasses. We discuss the relative propensities for intermixing of the Si/B/P network formers. Despite the absence of pronounced preferences for Si-O-Si bond formation, the glass models manifest subtle subnanometer-sized structural inhomogeneities, where SiO 4 tetrahedra tend to self-associate into small chain/ring motifs embedded in BO 3 /BO 4 -dominated

Brazing SiC/SiC Composites to Metals

NASA Technical Reports Server (NTRS)

Steffier, Wayne S.

2004-01-01

Experiments have shown that active brazing alloys (ABAs) can be used to join SiC/SiC composite materials to metals, with bond strengths sufficient for some structural applications. The SiC/SiC composite coupons used in the experiments were made from polymerbased SiC fiber preforms that were chemical-vapor-infiltrated with SiC to form SiC matrices. Some of the metal coupons used in the experiments were made from 304 stainless steel; others were made from oxygen-free, high-conductivity copper. Three ABAs were chosen for the experiments: two were chosen randomly from among a number of ABAs that were on hand at the time; the third ABA was chosen because its titanium content (1.25 percent) is less than those of the other two ABAs (1.75 and 4.5 percent, respectively) and it was desired to evaluate the effect of reducing the titanium content, as described below. The characteristics of ABAs that are considered to be beneficial for the purpose of joining SiC/SiC to metal include wettability, reactivity, and adhesion to SiC-based ceramics. Prior to further development, it was verified that the three chosen ABAs have these characteristics. For each ABA, suitable vacuum brazing process conditions were established empirically by producing a series of (SiC/SiC)/ABA wetting samples. These samples were then sectioned and subjected to scanning electron microscopy (SEM) and energy-dispersive x-ray spectrometry (EDS) for analysis of their microstructures and compositions. Specimens for destructive mechanical tests were fabricated by brazing of lap joints between SiC/SiC coupons 1/8-in. (.3.2- mm) thick and, variously, stainless steel or copper tabs. The results of destructive mechanical tests and the SEM/EDS analysis were used to guide the development of a viable method of brazing the affected materials.

Synthesis of magnetically recyclable MnFe2O4@SiO2@Ag nanocatalyst: Its high catalytic performances for azo dyes and nitro compounds reduction

NASA Astrophysics Data System (ADS)

Kurtan, U.; Amir, Md.; Yıldız, A.; Baykal, A.

2016-07-01

In this study, magnetically recycable MnFe2O4@SiO2@Ag nanocatalyst (MnFe2O4@SiO2@Ag MRCs) has been synthesized through co-precipition and chemical reduction method. XRD analysis confirmed the synthesis of single phase nanoproduct with crystallite size of 10 nm. VSM measurements showed the superparamagnetic property of the product. Catalytic studies showed that MnFe2O4@SiO2@Ag MRC could catalyze the reduction of the various azo compounds like methyl orange (MO), methylene blue (MB), eosin Y (EY), and rhodamine B (RhB) and also aromatic nitro compounds such as 4-nitrophenol (4-NP), 4-nitroaniline (4-NA) and 2-nitroaniline (2-NA). Moreover, the magnetic nanocatalyst showed an excellent reusability properties that remained unchanged after several cycles. Therefore, MnFe2O4@SiO2@Ag is the potential candidate for the application of organic pollutants for wastewater treatment.

Nanocatalytic growth of Si nanowires from Ni silicate coated SiC nanoparticles on Si solar cell.

PubMed

Parida, Bhaskar; Choi, Jaeho; Ji, Hyung Yong; Park, Seungil; Lim, Gyoungho; Kim, Keunjoo

2013-09-01

We investigated the nanocatalytic growth of Si nanowires on the microtextured surface of crystalline Si solar cell. 3C-SiC nanoparticles have been used as the base for formation of Ni silicate layer in a catalytic reaction with the Si melt under H2 atmosphere at an annealing temperature of 1100 degrees C. The 10-nm thick Ni film was deposited after the SiC nanoparticles were coated on the microtextured surface of the Si solar cell by electron-beam evaporation. SiC nanoparticles form a eutectic alloy surface of Ni silicate and provide the base for Si supersaturation as well as the Ni-Si alloy layer on Si substrate surface. This bottom reaction mode for the solid-liquid-solid growth mechanism using a SiC nanoparticle base provides more stable growth of nanowires than the top reaction mode growth mechanism in the absence of SiC nanoparticles. Thermally excited Ni nanoparticle forms the eutectic alloy and provides collectively excited electrons at the alloy surface, which reduces the activation energy of the nanocatalytic reaction for formation of nanowires.

Luminescence concentration quenching and site-occupancy of Eu2+ ions in Na2Ca2Si3O9 phosphors derived from 45S5 glass-ceramics

NASA Astrophysics Data System (ADS)

Zhu, Yangguang; Tong, Chao; Xu, Chuanyan; Li, Yadong; Seo, Hyo Jin

2016-04-01

The phosphors of Na2Ca2-2xEu2xSi3O9 (x = 0, 0.03, 0.05, 0.07, 0.09) were first synthesized by sol-gel method. The crystal phase formations of the phosphors were detected by X-ray powder diffraction (XRD) measurements and the structure refinement. The photoluminescence spectra, the concentration quenching, the luminescence decay curves and the luminescence color chromaticity were measured, respectively. The excitation spectra indicate that the phosphors can be effectively excited by near UV-LED chips. Two kinds of Eu2+ sites centered at 545 nm and 505 nm were discussed by analyzing the spectra, concentration-dependent luminescence intensity and lifetimes. This is a potential tool for monitoring the bioactivity of 45S5 glass-ceramics in situ.

Oxide Structure Dependence of SiO2/SiOx/3C-SiC/n-Type Si Nonvolatile Resistive Memory on Memory Operation Characteristics

NASA Astrophysics Data System (ADS)

Yamaguchi, Yuichiro; Shouji, Masatsugu; Suda, Yoshiyuki

2012-11-01

We have investigated the dependence of the oxide layer structure of our previously proposed metal/SiO2/SiOx/3C-SiC/n-Si/metal metal-insulator-semiconductor (MIS) resistive memory device on the memory operation characteristics. The current-voltage (I-V) measurement and X-ray photoemission spectroscopy results suggest that SiOx defect states mainly caused by the oxidation of 3C-SiC at temperatures below 1000 °C are related to the hysteresis memory behavior in the I-V curve. By restricting the SiOx interface region, the number of switching cycles and the on/off current ratio are more enhanced. Compared with a memory device formed by one-step or two-step oxidation of 3C-SiC, a memory device formed by one-step oxidation of Si/3C-SiC exhibits a more restrictive SiOx interface with a more definitive SiO2 layer and higher memory performances for both the endurance switching cycle and on/off current ratio.

FLiNaK Compatability Studies with Inconel 600 and Silicon Carbide

DOE PAGES

Yoder, Jr, Graydon L.; Heatherly, Dennis Wayne; Wilson, Dane F.; ...

2016-07-26

A small liquid fluoride salt test apparatus has been constructed and testing conducted to examine the compatibility of SiC, Inconel 600, and a spiral wound gasket material in FLiNaK salt. These tests were conducted to test materials and sealing systems that would be used in a FLiNaK salt test loop. Three months of testing at 700oC was used to assure that these materials and seals would be acceptable operating under expected test loop conditions. The SiC specimens showed little or no change over the test period while the spiral wound gasket material showed no degradation, except for the possibility ofmore » salt seeping into the outermost spirals of the gasket. The Inconel 600 specimens showed regions of voiding which penetrated the specimen surface to about 250 m in depth. Analysis indicated that the salt had leached chrome from the Inconel surface as was expected for this material. Because the test loop will have a limited working lifetime, it was concluded that these materials would be satisfactory for loop construction.« less

High-dose MeV electron irradiation of Si-SiO2 structures implanted with high doses Si+

NASA Astrophysics Data System (ADS)

Kaschieva, S.; Angelov, Ch; Dmitriev, S. N.

2018-03-01

The influence was studied of 22-MeV electron irradiation on Si-SiO2 structures implanted with high-fluence Si+ ions. Our earlier works demonstrated that Si redistribution is observed in Si+-ion-implanted Si-SiO2 structures (after MeV electron irradiation) only in the case when ion implantation is carried out with a higher fluence (1016 cm-2). We focused our attention on the interaction of high-dose MeV electron irradiation (6.0×1016 cm-2) with n-Si-SiO2 structures implanted with Si+ ions (fluence 5.4×1016 cm-2 of the same order magnitude). The redistribution of both oxygen and silicon atoms in the implanted Si-SiO2 samples after MeV electron irradiation was studied by Rutherford back-scattering (RBS) spectroscopy in combination with a channeling technique (RBS/C). Our results demonstrated that the redistribution of oxygen and silicon atoms in the implanted samples reaches saturation after these high doses of MeV electron irradiation. The transformation of amorphous SiO2 surface into crystalline Si nanostructures (after MeV electron irradiation) was evidenced by atomic force microscopy (AFM). Silicon nanocrystals are formed on the SiO2 surface after MeV electron irradiation. The shape and number of the Si nanocrystals on the SiO2 surface depend on the MeV electron irradiation, while their size increases with the dose. The mean Si nanocrystals height is 16-20 nm after irradiation with MeV electrons at the dose of 6.0×1016 cm-2.

Revealing heterogeneous nucleation of primary Si and eutectic Si by AlP in hypereutectic Al-Si alloys.

PubMed

Li, Jiehua; Hage, Fredrik S; Liu, Xiangfa; Ramasse, Quentin; Schumacher, Peter

2016-04-28

The heterogeneous nucleation of primary Si and eutectic Si can be attributed to the presence of AlP. Although P, in the form of AlP particles, is usually observed in the centre of primary Si, there is still a lack of detailed investigations on the distribution of P within primary Si and eutectic Si in hypereutectic Al-Si alloys at the atomic scale. Here, we report an atomic-scale experimental investigation on the distribution of P in hypereutectic Al-Si alloys. P, in the form of AlP particles, was observed in the centre of primary Si. However, no significant amount of P was detected within primary Si, eutectic Si and the Al matrix. Instead, P was observed at the interface between the Al matrix and eutectic Si, strongly indicating that P, in the form of AlP particles (or AlP 'patch' dependent on the P concentration), may have nucleated on the surface of the Al matrix and thereby enhanced the heterogeneous nucleation of eutectic Si. The present investigation reveals some novel insights into heterogeneous nucleation of primary Si and eutectic Si by AlP in hypereutectic Al-Si alloys and can be used to further develop heterogeneous nucleation mechanisms based on adsorption.

Optimization of hydrothermal synthesis of pure phase zeolite Na-P1 from South African coal fly ashes.

PubMed

Musyoka, Nicholas M; Petrik, Leslie F; Gitari, Wilson M; Balfour, Gillian; Hums, Eric

2012-01-01

This study was aimed at optimizing the synthesis conditions for pure phase zeolite Na-P1 from three coal fly ashes obtained from power stations in the Mpumalanga province of South Africa. Synthesis variables evaluated were: hydrothermal treatment time (12-48 hours), temperature (100-160°C) and varying molar quantities of water during the hydrothermal treatment step (H(2)O:SiO(2) molar ratio ranged between 0-0.49). The optimum synthesis conditions for preparing pure phase zeolite Na-P1 were achieved when the molar regime was 1 SiO(2): 0.36 Al(2)O(3): 0.59 NaOH: 0.49 H(2)O and ageing was done at 47°C for 48 hours. The optimum hydrothermal treatment time and temperature was 48 hours and 140°C, respectively. Fly ashes sourced from two coal-fired power plants (A, B) were found to produce nearly same high purity zeolite Na-P1 under identical conditions whereas the third fly ash (C) lead to a low quality zeolite Na-P1 under these conditions. The cation exchange capacity for the high pure phase was found to be 4.11 meq/g. These results highlight the fact that adjustment of reactant composition and presynthesis or synthesis parameters, improved quality of zeolite Na-P1 can be achieved and hence an improved potential for application of zeolites prepared from coal fly ash.

A stable silicon(0) compound with a Si=Si double bond.

PubMed

Wang, Yuzhong; Xie, Yaoming; Wei, Pingrong; King, R Bruce; Schaefer, Henry F; von R Schleyer, Paul; Robinson, Gregory H

2008-08-22

Dative, or nonoxidative, ligand coordination is common in transition metal complexes; however, this bonding motif is rare in compounds of main group elements in the formal oxidation state of zero. Here, we report that the potassium graphite reduction of the neutral hypervalent silicon-carbene complex L:SiCl4 {where L: is:C[N(2,6-Pri2-C6H3)CH]2 and Pri is isopropyl} produces L:(Cl)Si-Si(Cl):L, a carbene-stabilized bis-silylene, and L:Si=Si:L, a carbene-stabilized diatomic silicon molecule with the Si atoms in the formal oxidation state of zero. The Si-Si bond distance of 2.2294 +/- 0.0011 (standard deviation) angstroms in L:Si=Si:L is consistent with a Si=Si double bond. Complementary computational studies confirm the nature of the bonding in L:(Cl)Si-Si(Cl):L and L:Si=Si:L.

Mechanism for Si-Si Bond Rupture in Single Molecule Junctions.

PubMed

Li, Haixing; Kim, Nathaniel T; Su, Timothy A; Steigerwald, Michael L; Nuckolls, Colin; Darancet, Pierre; Leighton, James L; Venkataraman, Latha

2016-12-14

The stability of chemical bonds can be studied experimentally by rupturing single molecule junctions under applied voltage. Here, we compare voltage-induced bond rupture in two Si-Si backbones: one has no alternate conductive pathway whereas the other contains an additional naphthyl pathway in parallel to the Si-Si bond. We show that in contrast to the first system, the second can conduct through the naphthyl group when the Si-Si bond is ruptured using an applied voltage. We investigate this voltage induced Si-Si bond rupture by ab initio density functional theory calculations and molecular dynamics simulations that ultimately demonstrate that the excitation of molecular vibrational modes by tunneling electrons leads to homolytic Si-Si bond rupture.

Synchrotron x-ray thermal diffuse scattering probes for phonons in Si/SiGe/Si trilayer nanomembranes

DOE PAGES

McElhinny, Kyle M.; Gopalakrishnan, Gokul; Savage, Donald E.; ...

2016-05-17

Nanostructures offer the opportunity to control the vibrational properties of via the scattering of phonons due to boundaries and mass disorder as well as through changes in the phonon dispersion due to spatial confinement. Advances in understanding these effects have the potential to lead to thermoelectrics with an improved figure of merit by lowering the thermal conductivity and to provide insight into electron-phonon scattering rates in nanoelectronics. However, characterizing the phonon population in nanomaterials has been challenging because of their small volume and because optical techniques probe only a small fraction of reciprocal space. Recent developments in x-ray scattering nowmore » allow the phonon population to be evaluated across all of reciprocal space in samples with volumes as small as several cubic micrometers. We apply this approach, synchrotron x-ray thermal diffuse scattering (TDS), to probe the population of phonons within a Si/SiGe/Si trilayer nanomembrane. The distributions of scattered intensity from Si/SiGe/Si trilayer nanomembranes and Si nanomembranes with uniform composition are qualitatively similar, with features arising from the elastic anisotropy of the diamond structure. The TDS signal for the Si/SiGe/Si nanomembrane, however, has higher intensity than the Si membrane of the same total thickness by approximately 3.75%. Possible origins of the enhancement in scattering from SiGe in comparison with Si include the larger atomic scattering factor of Ge atoms within the SiGe layer or reduced phonon frequencies due to alloying.« less

Dielectric and ferroelectric properties of highly (100)-oriented (Na 0.5Bi 0.5) 0.94Ba 0.06TiO 3 thin films grown on LaNiO 3/γ-Al 2O 3/Si substrates by chemical solution deposition

NASA Astrophysics Data System (ADS)

Guo, Yiping; Akai, Daisuke; Sawada, Kazauki; Ishida, Makoto

2008-07-01

A (Na 0.5Bi 0.5) 0.94Ba 0.06TiO 3 chemical solution was prepared by using barium acetate, nitrate of sodium, nitrate of bismuth, and Ti-isopropoxide as raw materials. A white precipitation appeared during the preparation was analyzed to be Ba(NO 3) 2. We found that ethanolamine is a very effective coordinating ligand of Ba 2+. A transparent and stable (Na 0.5Bi 0.5) 0.94Ba 0.06TiO 3 precursor chemical solution has been achieved by using ethanolamine as a ligand of Ba 2+. (Na 0.5Bi 0.5) 0.94Ba 0.06TiO 3 films were grown on LaNiO 3/γ-Al 2O 3/Si substrates. Highly (100)-oriented (Na 0.5Bi 0.5) 0.94Ba 0.06TiO 3 films were obtained in this work due to lattice match growth. The dielectric, ferroelectric and insulative characteristics against applied field were studied. The conduction current shows an Ohmic conduction behavior at lower voltages and space-charge-limited behavior at higher voltages, respectively. These results indicate that, the (Na 0.5Bi 0.5) 0.94Ba 0.06TiO 3 film is a promising lead-free ferroelectric film.

The stability of Cl-CO3-scapolite relative to plagioclase + CaCO3 + CaSO4 in the presence of NaCl brines as a function of P-T-XNaCl

NASA Astrophysics Data System (ADS)

Harlov, D. E.; Budzyn, B.

2008-12-01

Cl-CO3-scapolite [(Na,Ca)4[Al3 (Al,Si) 3 Si3 O24](Cl, CO3 , SO4 )] occurs as a common partial to total alteration of plagioclase in deep-crustal xenoliths, skarns, marbles, gabbros, metabasites, calc-silicate gneisses, as well as in quartzofeldspathic granulite-facies rocks in general (Moecher and Essene, 1990, J Petrol 31, 997). Alteration of plagioclase to Cl-CO3-scapolite is presumed due to metasomatism by CO2-NaCl-H2O fluids (Satish-Kumar and Santosh, 1998, Geol Mag 135, 27). Previous experimental work on CO3-scapolite has focused on reversing the equilibrium 3 CaAl2 Si2 O8 + CaCO3 = Ca4 Al6 Si6 O24 CO3 in either pure CO2 (Goldschmidt and Newton, 1977, Am Mineral 62, 1063) or in CO2-H2O (Huckenholz and Seiberl, 1989 Abs IGC 28, 2.79). These experiments have determined that the anorthite- calcite-scapolite equilibrium is nearly pressure-invariant in P-T space (200 to 1500 MPa) occurring at approximately 790 to 820 °C (Huckenholz and Seiberl, 1989). In this study, a series of experiments, involving the equilibrium 3 Plagioclase(An60) + 0.5 CaCO3 + 0.5 CaSO4 = [(Na,Ca)4[Al3 (Al,Si)3 Si3 O24](Cl, CO3, SO4 )] plus an NaCl brine (10/90, 20/80, 30/70, and 50/50 molar NaCl/H2O) have been done at 500, 1000, and 1500 MPa and 600 to 900 °C. Natural plagioclase and scapolite, along with synthetic calcite and anhydrite, were lightly ground together in equi-molar amounts in ethanol. The mineral mix (10 mg) + NaCl brine (5 mg), or pure H2O (1.5 mg), were loaded into 3 mm diameter/1.3 mm long Pt capsules which were arc-welded shut, folded, and placed horizontally in a CaF2 setup (with graphite oven), such that the thermocouple tip touched the Pt capsule, or placed in a hydrothermal autoclave (600 and 700 °C; 500 MPa) with an internal thermocouple. A series of duplicate experiments for the same mineral mix, at the same P-T conditions, were done utilizing pure H2O as the flux. The H2O-only experiments duplicated the P-T reversals of Huckenholz and Seiberl (1989). In contrast

SiC/SiC Cladding Materials Properties Handbook

DOE Office of Scientific and Technical Information (OSTI.GOV)

Snead, Mary A.; Katoh, Yutai; Koyanagi, Takaaki

When a new class of material is considered for a nuclear core structure, the in-pile performance is usually assessed based on multi-physics modeling in coordination with experiments. This report aims to provide data for the mechanical and physical properties and environmental resistance of silicon carbide (SiC) fiber–reinforced SiC matrix (SiC/SiC) composites for use in modeling for their application as accidenttolerant fuel cladding for light water reactors (LWRs). The properties are specific for tube geometry, although many properties can be predicted from planar specimen data. This report presents various properties, including mechanical properties, thermal properties, chemical stability under normal and offnormalmore » operation conditions, hermeticity, and irradiation resistance. Table S.1 summarizes those properties mainly for nuclear-grade SiC/SiC composites fabricated via chemical vapor infiltration (CVI). While most of the important properties are available, this work found that data for the in-pile hydrothermal corrosion resistance of SiC materials and for thermal properties of tube materials are lacking for evaluation of SiC-based cladding for LWR applications.« less

Magnetic zeolite NaA: synthesis, characterization based on metakaolin and its application for the removal of Cu2+, Pb2+.

PubMed

Liu, Haibo; Peng, Shuchuan; Shu, Lin; Chen, Tianhu; Bao, Teng; Frost, Ray L

2013-06-01

The optimum parameters for synthesis of zeolite NaA based on metakaolin were investigated according to results of cation exchange capacity and static water adsorption of all synthesis products and selected X-ray diffraction (XRD). Magnetic zeolite NaA was synthesized by adding Fe3O4 in the precursor of zeolite. Zeolite NaA and magnetic zeolite NaA were characterized with scanning electron microscopy (SEM) and XRD. Magnetic zeolite NaA with different Fe3O4 loadings was prepared and used for removal of heavy metals (Cu(2+), Pb(2+)). The results show the optimum parameters for synthesis zeolite NaA are SiO2/Al2O3=2.3, Na2O/SiO2=1.4, H2O/Na2O=50, crystallization time 8h, crystallization temperature 95 °C. The addition of Fe3O4 makes the NaA zeolite with good magnetic susceptibility and good magnetic stability regardless of the Fe3O4 loading, confirming the considerable separation efficiency. Additionally, Fe3O4 loading had a little effect on removal of heavy metal by magnetic zeolite, however, the adsorption capacity still reaches 2.3 mmol g(-1) for Cu(2+), Pb(2+) with a removal efficiency of over 95% in spite of 4.7% Fe3O4 loading. This indicates magnetic zeolite can be used to remove metal heavy at least Cu(2+), Pb(2+) from water with metallic contaminants and can be separated easily after a magnetic process. Copyright © 2013 Elsevier Ltd. All rights reserved.

SiGe/Si Monolithically Integrated Amplifier Circuits

NASA Technical Reports Server (NTRS)

Katehi, Linda P. B.; Bhattacharya, Pallab

1998-01-01

With recent advance in the epitaxial growth of silicon-germanium heterojunction, Si/SiGe HBTs with high f(sub max) and f(sub T) have received great attention in MMIC applications. In the past year, technologies for mesa-type Si/SiGe HBTs and other lumped passive components with high resonant frequencies have been developed and well characterized for circuit applications. By integrating the micromachined lumped passive elements into HBT fabrication, multi-stage amplifiers operating at 20 GHz have been designed and fabricated.

Exceptional cracking behavior in H-implanted Si/B-doped Si0.70Ge0.30/Si heterostructures

NASA Astrophysics Data System (ADS)

Chen, Da; Wang, Dadi; Chang, Yongwei; Li, Ya; Ding, Rui; Li, Jiurong; Chen, Xiao; Wang, Gang; Guo, Qinglei

2018-01-01

The cracking behavior in H-implanted Si/B-doped Si0.70Ge0.30/Si structures after thermal annealing was investigated. The crack formation position is found to closely correlate with the thickness of the buried Si0.70Ge0.30 layer. For H-implanted Si containing a buried 3-nm-thick B-doped Si0.70Ge0.30 layer, localized continuous cracking occurs at the interfaces on both sides of the Si0.70Ge0.30 interlayer. Once the thickness of the buried Si0.70Ge0.30 layer increases to 15 and 70 nm, however, a continuous sharp crack is individually observed along the interface between the Si substrate and the B-doped Si0.70Ge0.30 interlayer. We attribute this exceptional cracking behavior to the existence of shear stress on both sides of the buried Si0.70Ge0.30 layer and the subsequent trapping of hydrogen, which leads to a crack in a well-controlled manner. This work may pave the way for high-quality Si or SiGe membrane transfer in a feasible manner, thus expediting its potential applications to ultrathin silicon-on-insulator (SOI) or silicon-germanium-on-insulator (SGOI) production.

Challenge of Si/SiGe technology to optoelectronics

NASA Astrophysics Data System (ADS)

Chang, C. Y.; Jung, J. G.

1993-01-01

Low temperature epitaxy (LTE) of Si and SiGecanbe performed at a temperature of 550 C or lower. Very promising applications can be opened. Such as high speed/high frequency operations at 90GHZ by constructing heterojunction bipolar transistors. High performance FET'slikepseudomorphic p-channel orn-channel high mobility field effect transistors are presented which canbe composed to perform CMOS operations. Optoelectronic devices such as IRdetectors (1-12um), mutiple quantum well (MOW), disordered superlattice (d-SL) which are the potential candidatesof IR detector and optical sources (e.q. LED, LD etc.) Various physical insights regarding to SiGe heterostructures are presented which includeswave function filter, mass filter as well as band mixing are introduced. Researchesat National Nano Device Laboratory (NDL) which processes the capability of 0.3um Si ULSI technologies and SiGe works as well as lll-V, a-Si/SiGe lines are also presented.

Relativistic Effects and Gold Site Distributions: Synthesis, Structure, and Bonding in a Polar Intermetallic Na6Cd16Au7

DOE Office of Scientific and Technical Information (OSTI.GOV)

Samal, Saroj L.; Corbett, John D.

Na{sub 6}Cd{sub 16}Au{sub 7} has been synthesized via typical high-temperature reactions, and its structure refined by single crystal X-ray diffraction as cubic, Fm{bar 3}m, a = 13.589(1) {angstrom}, Z = 4. The structure consists of Cd{sub 8} tetrahedral star (TS) building blocks that are face capped by six shared gold (Au2) vertexes and further diagonally bridged via Au1 to generate an orthogonal, three-dimensional framework [Cd{sub 8}(Au2){sub 6/2}(Au1){sub 4/8}], an ordered ternary derivative of Mn{sub 6}Th{sub 23}. Linear muffin-tin-orbital (LMTO)-atomic sphere approximation (ASA) electronic structure calculations indicate that Na{sub 6}Cd{sub 16}Au{sub 7} is metallic and that {approx}76% of the total crystalmore » orbital Hamilton populations (-ICOHP) originate from polar Cd-Au bonding with 18% more from fewer Cd-Cd contacts. Na{sub 6}Cd{sub 16}Au{sub 7} (45 valence electron count (vec)) is isotypic with the older electron-richer Mg{sub 6}Cu{sub 16}Si{sub 7} (56 vec) in which the atom types are switched and bonding characteristics among the network elements are altered considerably (Si for Au, Cu for Cd, Mg for Na). The earlier and more electronegative element Au now occupies the Si site, in accord with the larger relativistic bonding contributions from polar Cd-Au versus Cu-Si bonds with the neighboring Cd in the former Cu positions. Substantial electronic differences in partial densities-of-states (PDOS) and COHP data for all atoms emphasize these. Strong contributions of nearby Au 5d{sup 10} to bonding states without altering the formal vec are the likely origin of these effects.« less

Search for unbound nuclides and beam/fragment optics with the MoNA/LISA segmented target at NSCL

NASA Astrophysics Data System (ADS)

Gueye, Paul; Frank, Nathan; Thoennessen, Michael; Redpath, Thomas; MoNA Collaboration

2017-09-01

A multi-layered Si/Be segmented target consisting of three 700 mg/cm2 thick Be9 slabs and four 140 microns Si detectors was used by the MoNA Collaboration at the National Superconducting Cyclotron Laboratory of Michigan State University to study the O26 lifetime. This target provides unprecedented information on the incident beams and fragments (energy loss and position), thus allowing for better determination of the incident and outgoing energies and momenta of the detected particles compare to previous experiments conducted at this facility. With the availability of a newly developed Geant4 Monte Carlo simulation of the full N2 vault, we will present and discuss the performances of this target. Search for unbound nuclides and beam/fragment optics with the MoNA/LISA segmented target at NSCL.

K*(892)⁰ and K̄*(892)⁰ production in central Pb + Pb, Si + Si, C + C, and inelastic p + p collisions at 158A GeV

DOE PAGES

Anticic, T.; Baatar, B.; Barna, D.; ...

2011-12-13

Production of the K*(892)0 and K̄*(892)⁰ resonances was studied via their K⁺π⁻ and K⁻π⁺ decay modes in central Pb+Pb, Si+Si, C+C, and inelastic p+p collisions at 158A GeV(√( sNN)=17.3 GeV) with the NA49 detector at the CERN SPS. Transverse momentum and rapidity distributions were measured and total yields were estimated. The yield of K* exceeds that of K̄* by about a factor of two in nucleus-nucleus reactions. The total yield ratios ⟨K*⟩/⟨K+⟩ and ⟨K̄*⟩/⟨K-⟩ are strongly suppressed in central Pb+Pb compared to p+p, C+C, and Si+Si collisions, in agreement with the expected attenuation of these short-lived resonance states in themore » hadronic phase of the expanding fireball. The UrQMD model, although incorporating such a scenario, does not provide a quantitative description of the experimental results. The statistical hadron gas model assuming the same freeze-out parameters for stable hadrons and resonances overestimates the ⟨K*⟩/⟨K⟩ ratios in central Pb+Pb collisions by about a factor of 2.5.« less

Sintering Behavior of Spark Plasma Sintered SiC with Si-SiC Composite Nanoparticles Prepared by Thermal DC Plasma Process

NASA Astrophysics Data System (ADS)

Yu, Yeon-Tae; Naik, Gautam Kumar; Lim, Young-Bin; Yoon, Jeong-Mo

2017-11-01

The Si-coated SiC (Si-SiC) composite nanoparticle was prepared by non-transferred arc thermal plasma processing of solid-state synthesized SiC powder and was used as a sintering additive for SiC ceramic formation. Sintered SiC pellet was prepared by spark plasma sintering (SPS) process, and the effect of nano-sized Si-SiC composite particles on the sintering behavior of micron-sized SiC powder was investigated. The mixing ratio of Si-SiC composite nanoparticle to micron-sized SiC was optimized to 10 wt%. Vicker's hardness and relative density was increased with increasing sintering temperature and holding time. The relative density and Vicker's hardness was further increased by reaction bonding using additional activated carbon to the mixture of micron-sized SiC and nano-sized Si-SiC. The maximum relative density (97.1%) and Vicker's hardness (31.4 GPa) were recorded at 1800 °C sintering temperature for 1 min holding time, when 0.2 wt% additional activated carbon was added to the mixture of SiC/Si-SiC.

Tribocorrosion Failure Mechanism of TiN/SiOx Duplex Coating Deposited on AISI304 Stainless Steel.

PubMed

Chen, Qiang; Xie, Zhiwen; Chen, Tian; Gong, Feng

2016-11-26

TiN/SiO x duplex coatings were synthesized on AISI304 stainless steel by plasma immersion ion implantation and deposition (PIIID) followed by radio frequency magnetron sputtering (RFMS). The microstructure and tribocorrosion failure behaviors of the duplex coatings were investigated by X-ray diffraction, X-ray photoelectron spectroscopy, scanning electron microscopy, atomic force microscopy, reciprocating-sliding tribometer, and electrochemical tests. The as-deposited duplex coating had a two-layered columnar growth structure consisting of face-centered cubic TiN and amorphous SiO x . Sliding tests showed that the TiN interlayer had good adhesion with the substrate, but the SiO x layer suffered from severe delamination failure. Friction force induced a number of micro-cracks in the coating, which provided channels for the diffusion of NaCl solution. The tribocorrosion test showed that the duplex coating exhibited a lower wear-performance in NaCl solution than in ambient atmosphere. Multi-scale chloride ion corrosion occurred simultaneously and substantially degraded the bonding strength of the columnar crystals or neighboring layers. Force-corrosion synergy damage eventually led to multi-degradation failure of the duplex coating. The presented results provide a comprehensive understanding of the tribocorrosion failure mechanism in coatings with duplex architecture.

Burner rig corrosion of SiC at 1000 deg C

NASA Technical Reports Server (NTRS)

Jacobson, N. S.; Stearns, C. A.; Smialek, J. L.

1985-01-01

Sintered alpha-SiC was examined in both oxidation and hot corrosion with a burner rig at 400 kPa (4 atm) and 1000 C with a flow velocity of 310 ft/sec. Oxidation tests for times to 46 hr produced virtually no attack, whereas tests with 4 ppm Na produced extensive corrosion in 13-1/2 hr. Thick glassy layers composed primarily of sodium silicate formed in the salt corrosion tests. This corrosion attack caused severe pitting of the silicon carbide substrate which led to a 32 percent strength decrease below the as-received material. Parallel furnace tests of Na2SO4/air induced attacked yielded basically similar results with some slight product composition differences. The differences are explained in terms of the continuous sulfate deposition which occurs in a burner rig.

High temperature compounds for turbine vanes. [of SiC, Si3N4, and Si composites

NASA Technical Reports Server (NTRS)

Rhodes, W. H.; Cannon, R. M., Jr.

1974-01-01

Fabrication and microstructure control studies were conducted on SiC, Si3N and composites based on Si3N. Charpy mode impact testing to 2400 F established that Si3N4/Mo composites have excellent potential. Attempts to fabricate composites of Si3N4 with superalloys, both by hot pressing and infiltration were largely unsuccessful in comparison to using Mo, Re, and Ta which are less reactive. Modest improvements in impact strength were realized for monolithic Si3N4; however, SiC strengths increased by a factor of six and now equal values achieved for Si3N4. Correlations of impact strength with material properties are discussed. Reduced MgO densification aid additions to Si3N4 were found to decrease densification kinetics, increase final porosity, decrease room temperature bend strength, increase high temperature bend strength, and decrease bend stress rupture properties. The decrease in bend strength at high temperature for fine grain size SiC suggested that a slightly larger grain size material with a nearly constant strength-temperature relation may prove desirable in the creep and stress rupture mode.

Design and simulation of betavoltaic angle sensor Based on ⁶³Ni-Si.

PubMed

Ghasemi Nejad, Gholam Reza; Rahmani, Faezeh

2016-01-01

A theoretical design and simulation of betavoltaic angle sensor (beta-AS) based on (63)Ni-Si using MCNP code is presented in this article. It can measure the full angle of 0-360° in the temperature range of 233-353 K. Beta-AS is composed of semicircular (63)Ni as the beta source, which rotates along the circular (four-quadrant) surface of Si as a semiconductor (in p-n structure), so that the change in the source angle in relation to Si surface can be measured based on the changes in V(oc) observed in each quadrant of Si. For better performance, characteristics of Si and (63)Ni have been optimized: N(D) and N(A) values of 8e19 and 4e18 cm(-3) (donor and acceptor doping concentration in Si, respectively), source thickness and activity of 1.5 µm and 18 mCi, respectively. The relation between angle and V(oc) is also investigated. The maximum difference between measured and real values of angle (the worst case, i.e., 0.18° for the angle of 45°) occurs at 233 K. It has been shown that sensitivity of the sensor decreases with an increase of angle. The results also show that the change in activity does not affect the sensitivity. Copyright © 2015 Elsevier Ltd. All rights reserved.

Cross sections for He and Ne isotopes in natural Mg, Al, and Si, He isotopes in CaF2, Ar isotopes in natural Ca, and radionuclides in natural Al, Si, Ti, Cr, and stainless steel induced by 12- to 45-MeV protons

NASA Technical Reports Server (NTRS)

Walton, J. R.; Heymann, D.; Yaniv, A.; Edgerley, D.; Rowe, M. W.

1976-01-01

Stacks of thin Mg, Al, Si, Ca, CaF2, Ti, and stainless steel foils were bombarded in twelve irradiations by a variable energy cyclotron. Cross sections are reported for He and Ne in natural Mg, Al, and Si, and for He in CaF2, and for Ar in natural Ca, as determined from mass spectrometer analysis of the inert gases. In addition, cross sections of Na-22 in natural Al and Si, of V-48 in natural Ti, and of Cr-51, Mn-52, and Co-57 in stainless steel are reported. From these were deduced Cr-51 and Mn-52 cross sections in natural Cr.

Low-Temperature Molten-Salt Production of Silicon Nanowires by the Electrochemical Reduction of CaSiO3.

PubMed

Dong, Yifan; Slade, Tyler; Stolt, Matthew J; Li, Linsen; Girard, Steven N; Mai, Liqiang; Jin, Song

2017-11-13

Silicon is an extremely important technological material, but its current industrial production by the carbothermic reduction of SiO 2 is energy intensive and generates CO 2 emissions. Herein, we developed a more sustainable method to produce silicon nanowires (Si NWs) in bulk quantities through the direct electrochemical reduction of CaSiO 3 , an abundant and inexpensive Si source soluble in molten salts, at a low temperature of 650 °C by using low-melting-point ternary molten salts CaCl 2 -MgCl 2 -NaCl, which still retains high CaSiO 3 solubility, and a supporting electrolyte of CaO, which facilitates the transport of O 2- anions, drastically improves the reaction kinetics, and enables the electrolysis at low temperatures. The Si nanowire product can be used as high-capacity Li-ion battery anode materials with excellent cycling performance. This environmentally friendly strategy for the practical production of Si at lower temperatures can be applied to other molten salt systems and is also promising for waste glass and coal ash recycling. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Abrupt GaP/Si hetero-interface using bistepped Si buffer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ping Wang, Y., E-mail: yanping.wang@insa-rennes.fr; Kuyyalil, J.; Nguyen Thanh, T.

We evidence the influence of the quality of the starting Si surface on the III-V/Si interface abruptness and on the formation of defects during the growth of III-V/Si heterogeneous crystal, using high resolution transmission electron microscopy and scanning transmission electron microscopy. GaP layers were grown by molecular beam epitaxy on vicinal Si (001). The strong effect of the Si substrate chemical preparation is first demonstrated by studying structural properties of both Si homoepitaxial layer and GaP/Si heterostructure. It is then shown that choosing adequate chemical preparation conditions and subsequent III-V regrowth conditions enables the quasi-suppression of micro-twins in the epilayer.more » Finally, the abruptness of GaP/Si interface is found to be very sensitive to the Si chemical preparation and is improved by the use of a bistepped Si buffer prior to III-V overgrowth.« less

The potential of silica encapsulated DNA magnetite microparticles (SiDNAMag) for multi-tracer studies in subsurface hydrology

NASA Astrophysics Data System (ADS)

Willem Foppen, Jan; Bogaard, Thom; van Osnabrugge, Bart; Puddu, Michela; Grass, Robert

2015-04-01

With tracer experiments, knowledge on solute transport, travel times, flow pathways, source areas, and linkages between infiltration and exfiltration zones in subsurface hydrological studies can be obtained. To overcome the well-known limitations of artificial tracers, we report here the development and application of an inexpensive method to produce large quantities of environmentally friendly 150-200 nm microparticles composed of a magnetite core to which small fragments of synthetic 80 nt ssDNA were adsorbed, which were then covered by a layer of inert silica (acronym: SiDNAMag). The main advantages of using DNA are the theoretically unlimited amount of different DNA tracers and the low DNA detection limit using the quantitative polymerase chain reaction (qPCR); the main advantage of the silica layer is to prevent DNA decay, while the magnetite core facilitates magnetic separation, recovery and up-concentration. In 10 cm columns of saturated quartz sand, we first injected NaCl, a conservative salt tracer, and measured the breakthrough. Then, we injected SiDNAMag suspended in water of known composition, harvested the SiDNAMag in column effluent samples, and measured the DNA concentration via qPCR after dissolving the SiDNAMag. The results indicated that the timing of the rising limb of the DNA breakthrough curve, the plateau phase and the falling limb were identical to the NaCl breakthrough curve. However, the relative maximum DNA concentration reached during the plateau phase was around 0.3, indicating that around 70% of the SiDNAMag mass was retained in the column. From these results we inferred that SiDNAMag was not retarded and therefore not subject to equilibrium sorption. Instead, first order irreversible kinetic attachment appeared to be the dominant retention mechanism. Based on our results, we speculate that, despite significant retention, due to the low DNA detection limit and the possibility of magnetic up-concentration, the use of SiDNAMag is a very

Sintering Behavior of Spark Plasma Sintered SiC with Si-SiC Composite Nanoparticles Prepared by Thermal DC Plasma Process.

PubMed

Yu, Yeon-Tae; Naik, Gautam Kumar; Lim, Young-Bin; Yoon, Jeong-Mo

2017-11-25

The Si-coated SiC (Si-SiC) composite nanoparticle was prepared by non-transferred arc thermal plasma processing of solid-state synthesized SiC powder and was used as a sintering additive for SiC ceramic formation. Sintered SiC pellet was prepared by spark plasma sintering (SPS) process, and the effect of nano-sized Si-SiC composite particles on the sintering behavior of micron-sized SiC powder was investigated. The mixing ratio of Si-SiC composite nanoparticle to micron-sized SiC was optimized to 10 wt%. Vicker's hardness and relative density was increased with increasing sintering temperature and holding time. The relative density and Vicker's hardness was further increased by reaction bonding using additional activated carbon to the mixture of micron-sized SiC and nano-sized Si-SiC. The maximum relative density (97.1%) and Vicker's hardness (31.4 GPa) were recorded at 1800 °C sintering temperature for 1 min holding time, when 0.2 wt% additional activated carbon was added to the mixture of SiC/Si-SiC.

Ni-silicide growth kinetics in Si and Si/SiO2 core/shell nanowires.

PubMed

Ogata, K; Sutter, E; Zhu, X; Hofmann, S

2011-09-07

A systematic study of the kinetics of axial Ni silicidation of as-grown and oxidized Si nanowires (SiNWs) with different crystallographic orientations and core diameters ranging from ∼ 10 to 100 nm is presented. For temperatures between 300 and 440 °C the length of the total axial silicide intrusion varies with the square root of time, which provides clear evidence that the rate limiting step is diffusion of Ni through the growing silicide phase(s). A retardation of Ni-silicide formation for oxidized SiNWs is found, indicative of a stress induced lowering of the diffusion coefficients. Extrapolated growth constants indicate that the Ni flux through the silicided NW is dominated by surface diffusion, which is consistent with an inverse square root dependence of the silicide length on the NW diameter as observed for (111) orientated SiNWs. In situ TEM silicidation experiments show that NiSi(2) is the first forming phase for as-grown and oxidized SiNWs. The silicide-SiNW interface is thereby atomically abrupt and typically planar. Ni-rich silicide phases subsequently nucleate close to the Ni reservoir, which for as-grown SiNWs can lead to a complete channel break-off for prolonged silicidation due to significant volume expansion and morphological changes.

Ni-Silicide Growth Kinetics in Si and Si/SiO2 Core/Shell Nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hofmann, S.; Sutter, E.; Ogata, K.

A systematic study of the kinetics of axial Ni silicidation of as-grown and oxidized Si nanowires (SiNWs) with different crystallographic orientations and core diameters ranging from {approx} 10 to 100 nm is presented. For temperatures between 300 and 440 C the length of the total axial silicide intrusion varies with the square root of time, which provides clear evidence that the rate limiting step is diffusion of Ni through the growing silicide phase(s). A retardation of Ni-silicide formation for oxidized SiNWs is found, indicative of a stress induced lowering of the diffusion coefficients. Extrapolated growth constants indicate that the Nimore » flux through the silicided NW is dominated by surface diffusion, which is consistent with an inverse square root dependence of the silicide length on the NW diameter as observed for <111> orientated SiNWs. In situ TEM silicidation experiments show that NiSi{sub 2} is the first forming phase for as-grown and oxidized SiNWs. The silicide-SiNW interface is thereby atomically abrupt and typically planar. Ni-rich silicide phases subsequently nucleate close to the Ni reservoir, which for as-grown SiNWs can lead to a complete channel break-off for prolonged silicidation due to significant volume expansion and morphological changes.« less

Limit Analysis of Geometrically Hardening Composite Steel-Concrete Systems / Stany Graniczne Geometrycznie Wzmacniających Się Konstrukcji Zespolonych

NASA Astrophysics Data System (ADS)

Alawdin, Piotr; Urbańska, Krystyna

2015-03-01

The paper considers some results of creating load-carrying composite systems that have uprated strength, rigidity and safety, and therefore are called geometrically (self-) hardening systems. The optimization mathematic models of structures as discrete mechanical systems withstanding dead load, monotonic or low cyclic static and kinematic actions are proposed. To find limit parameters of these actions the extreme energetic principle is suggested what result in the bilevel mathematic programming problem statement. The limit parameters of load actions are found on the first level of optimization. On the second level the power of the constant load with equilibrium preloading is maximized and/or system cost is minimized. The examples of using the proposed methods are presented and geometrically hardening composite steel-concrete system are taken into account. W pracy przedstawiono sposoby projektowania konstrukcji, które ze względu na swoją geometrię oraz topologię posiadają podwyższoną nośność, sztywność i bezpieczeństwo. Systemy takie nazwano geometrycznie (samo-) wzmacniającymi się. Zaproponowano optymalizacyjne modele matematyczne konstrukcji jako dyskretne systemy mechaniczne będące pod obciążeniem stałym, zmiennym monotoniczne lub niskocyklowym, statycznym lub kinematycznym. Dla znalezienia granicznych parametrów obciążeń wprowadzona została ekstremalna zasada energetyczna, przedstawiona jako problem dwupoziomowego programowania matematycznego. Graniczne parametry obciążeń szukane są na pierwszym poziomie optymalizacji. Na drugim poziomie minimalizowany jest koszt systemu i/lub maksymalizowana jest moc stałego równoważącego obciążenia z dociążeniem. Ponadto w pracy przeanalizowano numerycznie i analitycznie zachowanie konstrukcji geometrycznie wzmacniających się na przykładzie konstrukcji zespolonych stalowobetonowych. Pierwszy przykład dotyczy konstrukcji belkowo-prętowej z podciągiem, belkę stanowi stalowy dwuteownik

Si/SiGe heterointerfaces in one-, two-, and three-dimensional nanostructures: their impact on SiGe light emission

NASA Astrophysics Data System (ADS)

Lockwood, David; Wu, Xiaohua; Baribeau, Jean-Marc; Mala, Selina; Wang, Xialou; Tsybeskov, Leonid

2016-03-01

Fast optical interconnects together with an associated light emitter that are both compatible with conventional Si-based complementary metal-oxide- semiconductor (CMOS) integrated circuit technology is an unavoidable requirement for the next-generation microprocessors and computers. Self-assembled Si/Si1-xGex nanostructures, which can emit light at wavelengths within the important optical communication wavelength range of 1.3 - 1.55 μm, are already compatible with standard CMOS practices. However, the expected long carrier radiative lifetimes observed to date in Si and Si/Si1-xGex nanostructures have prevented the attainment of efficient light-emitting devices including the desired lasers. Thus, the engineering of Si/Si1-xGex heterostructures having a controlled composition and sharp interfaces is crucial for producing the requisite fast and efficient photoluminescence (PL) at energies in the range 0.8-0.9 eV. In this paper we assess how the nature of the interfaces between SiGe nanostructures and Si in heterostructures strongly affects carrier mobility and recombination for physical confinement in three dimensions (corresponding to the case of quantum dots), two dimensions (corresponding to quantum wires), and one dimension (corresponding to quantum wells). The interface sharpness is influenced by many factors such as growth conditions, strain, and thermal processing, which in practice can make it difficult to attain the ideal structures required. This is certainly the case for nanostructure confinement in one dimension. However, we demonstrate that axial Si/Ge nanowire (NW) heterojunctions (HJs) with a Si/Ge NW diameter in the range 50 - 120 nm produce a clear PL signal associated with band-to-band electron-hole recombination at the NW HJ that is attributed to a specific interfacial SiGe alloy composition. For three-dimensional confinement, the experiments outlined here show that two quite different Si1-xGex nanostructures incorporated into a Si0.6Ge0.4 wavy

Synthesis and structural property of Si nanosheets connected to Si nanowires using MnCl2/Si powder source

NASA Astrophysics Data System (ADS)

Meng, Erchao; Ueki, Akiko; Meng, Xiang; Suzuki, Hiroaki; Itahara, Hiroshi; Tatsuoka, Hirokazu

2016-08-01

Si nanosheets connected to Si nanowires were synthesized using a MnCl2/Si powder source with an Au catalyst. The synthesis method has benefits in terms of avoiding conventionally used air-sensitive SiH4 or SiCl4. The existence of the Si nanosheets connected to the Si<111> nanowires, like sprouts or leaves with petioles, was observed, and the surface of the nanosheets was Si{111}. The nanosheets were grown in the growth direction of <211> perpendicular to that of the Si nanowires. It was evident from these structural features of the nanosheets that the nanosheets were formed by the twin-plane reentrant-edge mechanism. The feature of the observed lattice fringes, which do not appear for Si bulk crystals, of the Si(111) nanosheets obtained by high resolution transmission electron microscopy was clearly explained due to the extra diffraction spots that arose by the reciprocal lattice streaking effect.

Growth of strained Si/relaxed SiGe heterostructures on Si(110) substrates using solid-source molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Arimoto, Keisuke; Nakazawa, Hiroki; Mitsui, Shohei; Utsuyama, Naoto; Yamanaka, Junji; Hara, Kosuke O.; Usami, Noritaka; Nakagawa, Kiyokazu

2017-11-01

A strained Si/relaxed SiGe heterostructure grown on Si(110) substrate is attractive as a platform for high-hole-mobility Si-based electronic devices. To improve the electrical property, a smoother surface is desirable. In this study, we investigated surface morphology and microstructural aspects of strained Si/relaxed SiGe/Si(110) heterostructures grown by solid-source (SS) molecular beam epitaxy (MBE). It was revealed that SSMBE provides a way to grow strained Si/relaxed SiGe heterostructures with smooth surfaces. In addition, it was found that the strain in the SiGe layer of the SSMBE-grown sample is highly anisotropic whereas that of the GSMBE-grown sample is almost biaxially relaxed. Along with the surface morphology, the symmetry in degree of strain relaxation has implications for the electrical property. Results of a calculation shows that anisotropic strain is preferable for device application since it confines holes solely in the strained Si layer where hole mobility is enhanced.

Comparison of interfaces for (Ba,Sr)TiO3 films deposited on Si and SiO2/Si substrates

NASA Astrophysics Data System (ADS)

Suvorova, N. A.; Lopez, C. M.; Irene, E. A.; Suvorova, A. A.; Saunders, M.

2004-03-01

(Ba,Sr)TiO3(BST) thin films were deposited by ion sputtering on both bare and oxidized Si. Spectroscopic ellipsometry results have shown that a SiO2 underlayer of nearly the same thickness (2.6 nm in average) is found at the Si interface for BST sputter depositions onto nominally bare Si, 1 nm SiO2 on Si or 3.5 nm SiO2 on Si. This result was confirmed by high-resolution electron microscopy analysis of the films, and it is believed to be due to simultaneous subcutaneous oxidation of Si and reaction of the BST layer with SiO2. Using the conductance method, capacitance-voltage measurements show a decrease in the interface trap density Dit of an order of magnitude for oxidized Si substrates with a thicker SiO2 underlayer. Further reduction of Dit was achieved for the capacitors grown on oxidized Si and annealed in forming gas after metallization.

Ab initio and kinetic Monte Carlo study of lithium diffusion in LiSi, Li12Si7, Li13Si5 and Li15Si4

NASA Astrophysics Data System (ADS)

Moon, Janghyuk; Lee, Byeongchan; Cho, Maenghyo; Cho, Kyeongjae

2016-10-01

The kinetics of lithium atoms in various Li-Si binary compounds are investigated using density functional theory calculations and kinetic Monte Carlo calculations. The values of the Li migration energy barriers are identified by NEB calculations with vacancy-mediated, interstitial and exchange migration mechanisms in crystalline LiSi, Li12Si7, Li13Si4, and Li15Si4. A comparison of these NEB results shows that the vacancy-mediated Li migration is identified as the dominant diffusion mechanisms in Li-Si compounds. The diffusion coefficients of Li in Li-Si compounds at room temperature are determined by KMC simulation. From the KMC results, the recalculated migration energy barriers in LiSi, Li12Si7, Li13Si4, and Li15Si4 correspond to 0.306, 0.301, 0.367 and 0.320 eV, respectively. Compared to the Li migration energy barrier of 0.6 eV in crystalline Si, the drastic reduction in the Li migration energy barriers in the lithiated silicon indicates that the initial lithiation of the Si anode is the rate-limiting step. Furthermore, it is also found that Si migration is possible in Li-rich configurations. On the basis of these findings, the underlying mechanisms of kinetics on the atomic scale details are elucidated.

Review on Material Synthesis and Characterization of Sodium (Na) Super-Ionic Conductor (NASICON)

NASA Astrophysics Data System (ADS)

Kimpa, M. I.; Mayzan, M. Z. H.; Yabagi, J. A.; Nmaya, M. M.; Isah, K. U.; Agam, M. A.

2018-04-01

Sodium (Na) Super Ionic Conductor (NASICON) has general formula Na1+ x Zr2P3- xSi x O12 (0 ≤x ≤ 3) derived from its parent compound, sodium zirconium phosphate NaZr2(PO4)3 (NZP) which belong to a rhombohedral crystal structure. This material consists of three-dimensional structure with interesting features such as low thermal expansion coefficient, thermal stability, gas sensor and nuclear waste immobilization that make it viable for industrial applications. Current study presents comprehensive studies on the synthesis and essential characteristics required to understand the theory behind the mechanism that justifies the study of NASICON structure and its application such as lithium ion rechargeable battery, gas sensor, and nuclear waste immobilization and so on.

Strain-Engineered Nanomembrane Substrates for Si/SiGe Heterostructures

NASA Astrophysics Data System (ADS)

Sookchoo, Pornsatit

For Group IV materials, including silicon, germanium, and their alloys, although they are most widely used in the electronics industry, the development of photonic devices is hindered by indirect band gaps and large lattice mismatches. Thus, any heterostructures involving Si and Ge (4.17% lattice mismatch) are subject to plastic relaxation by dislocation formation in the heterolayers. These defects make many devices impossible and at minimum degrade the performance of those that are possible. Fabrication using elastic strain engineering in Si/SiGe nanomembranes (NMs) is an approach that is showing promise to overcome this limitation. A key advantage of such NM substrates over conventional bulk substrates is that they are relaxed elastically and therefore free of dislocations that occur in the conventional fabrication of SiGe substrates, which are transferred to the epilayers and roughen film interfaces. In this thesis, I use the strain engineering of NMs or NM stacks to fabricate substrates for the epitaxial growth of many repeating units of Si/SiGe heterostructure, known as a 'superlattice', by the elastic strain sharing of a few periods of the repeating unit of Si/SiGe heterolayers or a Si/SiGe/Si tri-layer structure. In both cases, the process begins with the epitaxial growth of Si/SiGe heterolayers on silicon-on-insulator (SOI), where each layer thickness is designed to stay below its kinetic critical thickness for the formation of dislocations. The heterostructure NMs are then released by etching of the SiO2 sacrificial layer in hydrofluoric acid. The resulting freestanding NMs are elastically relaxed by the sharing of strain between the heterolayers. The NMs can be bonded in-place to their host substrate or transferred to another host substrate for the subsequent growth of many periods of superlattice film. The magnitude of strain sharing in these freestanding NMs is influenced by their layer thicknesses and layer compositions. As illustrated in this

High Temperature Si-doped BN Interphases for Woven SiC/SiC Composites

NASA Technical Reports Server (NTRS)

Morscher, Gregory N.; Hurwitz, Frances; Yun, Hee Mann; Gray, Hugh R. (Technical Monitor)

2002-01-01

The hydrolytic stability of high-temperature deposited Si-doped BN has been shown in the past to be superior in comparison to "pure" BN processed at similar or even higher temperatures. This type of material would be very desirable as a SiC/SiC composite interphase that is formed by chemical infiltration into multi-ply woven preform. However, due to rapid deposition on the preform outer surface at the high processing temperature, this has proven very difficult. To overcome this issue, single plies of woven fabric were infiltrated with Si-doped BN. Three composite panels of different SiC fiber types were fabricated with Si-doped BN interphases including Sylramic, Hi-Nicalon Type S and Sylramic-iBN fiber-types. The latter fiber-type possesses a thin in-situ grown BN layer on the fiber surface. High Si contents (approx. 7 to 10 a/o) and low oxygen contents (less than 1 a/o) were achieved. All three composite systems demonstrated reasonable debonding and sliding properties. The coated Sylramic fabric and composites were weak due to fiber degradation apparently caused during interphase processing by the formation of TiN crystals on the fiber surface. The Hi-Nicalon Type S composites with Si-doped BN interphase were only slightly weaker than Hi-Nicalon Type S composites with conventional BN when the strength on the load-bearing fibers at failure was compared. On the other hand, the Sylramic-iBN fabric and composites with Si-doped BN showed excellent composite and intermediate temperature stress-rupture properties. Most impressive was the lack of any significant interphase oxidation on the fracture surface of stress-ruptured specimens tested well above matrix cracking at 815C.

Uptake, transport, distribution and Bio-effects of SiO2 nanoparticles in Bt-transgenic cotton.

PubMed

Le, Van Nhan; Rui, Yukui; Gui, Xin; Li, Xuguang; Liu, Shutong; Han, Yaning

2014-12-05

SiO2 nanoparticle is one of the most popular nanomaterial which has been used in various fields, such as wastewater treatment, environmental remediation, food processing, industrial and household applications, biomedicine, disease labeling, and biosensor, etc. In agriculture, the use of SiO2 nanoparticles as insecticide, carriers in drug delivery, or in uptake and translocation of nutrient elements, etc., has been given attention. However, the effects of nanoparticles on plants have been seldom studied. In this work, the toxicity of SiO2 nanoparticles and their uptake, transport, distribution and bio-effects have been investigated in Bt-transgenic cotton. The phytotoxic effects of SiO2 nanoparticles were exhibited in Bt-transgenic cotton with different SiO2 concentrations of 0, 10, 100, 500 and 2000 mg.L(-1) for 3 weeks through dry biomasses, nutrient elements, xylem sap, enzymes activities, and hormone concentrations. The uptake and distribution of nanoparticles by the plants were confirmed using transmission electron microscopy (TEM). The SiO2 nanoparticles decreased significantly the plant height, shoot and root biomasses; the SiO2 nanoparticles also affected the contents of Cu, Mg in shoots and Na in roots of transgenic cotton; and SOD activity and IAA concentration were significantly influenced by SiO2 nanoparticles. In addition, SiO2 nanoparticles were present in the xylem sap and roots as examined by TEM showing that the SiO2 nanoparticles were transported from roots to shoots via xylem sap. This is the first report of the transportation of SiO2 nanoparticles via xylem sap within Bt-transgenic cotton. This study provides direct evidence for the bioaccumulation of SiO2 nanoparticles in plants, which shows the potential risks of SiO2 nanoparticles impact on food crops and human health.

Synthesis and characterization of laminated Si/SiC composites.

PubMed

Naga, Salma M; Kenawy, Sayed H; Awaad, Mohamed; Abd El-Wahab, Hamada S; Greil, Peter; Abadir, Magdi F

2013-01-01

Laminated Si/SiC ceramics were synthesized from porous preforms of biogenous carbon impregnated with Si slurry at a temperature of 1500 °C for 2 h. Due to the capillarity infiltration with Si, both intrinsic micro- and macrostructure in the carbon preform were retained within the final ceramics. The SEM micrographs indicate that the final material exhibits a distinguished laminar structure with successive Si/SiC layers. The produced composites show weight gain of ≈5% after heat treatment in air at 1300 °C for 50 h. The produced bodies could be used as high temperature gas filters as indicated from the permeability results.

Heat insulation performance, mechanics and hydrophobic modification of cellulose-SiO2 composite aerogels.

PubMed

Shi, Jianjun; Lu, Lingbin; Guo, Wantao; Zhang, Jingying; Cao, Yang

2013-10-15

Cellulose-SiO2 composite hydrogel was prepared by combining the NaOH/thiourea/H2O solvent system and the immersion method with controlling the hydrolysis-fasculation rate of tetraethyl orthosilicate (TEOS). The hydrophobic composite aerogels were obtained through the freeze-drying technology and the cold plasma modification technology. Composite SiO2 could obviously reduce the thermal conductivity of cellulose aerogel. The thermal conductivity could be as low as 0.026 W/(mK). The thermal insulation mechanism of the aerogel material was discussed. Composite SiO2 reduced hydrophilicity of cellulose aerogel, but environmental humidity had a significant influence on heat insulation performance. After hydrophobic modification using CCl4 as plasma was conducted, the surface of composite aerogel was changed from hydrophilic to hydrophobic and water contact angle was as high as 132°. The modified composite aerogel still kept good heat insulation performance. This work provided a foundation for the possibility of applying cellulose-SiO2 composite aerogel in the insulating material field. Copyright © 2013 Elsevier Ltd. All rights reserved.

Cation mobility and the sorption of chloroform in zeolite NaY: molecular dynamics study.

PubMed

Ramsahye, Naseem A; Bell, Robert G

2005-03-17

Molecular dynamics simulations at temperatures of 270, 330, and 390 K have been carried out to address the question of cation migration upon chloroform sorption in sodium zeolite Y. The results show that sodium cations located in different sites exhibit different types of mobility. These may be summarized as follows: (1) SII cations migrate toward the center of the supercage upon sorption, due to interactions with the polar sorbate molecules. (2) SI' cations hop from the sodalite cage into the supercage to fill vacant SII sites. (3) SI' cations migrate to other SI' sites within the same sodalite cage. (4) SI cations hop out of the double six-rings into SI' sites. In some instances, concerted motion of cations is observed. Furthermore, former SI' and SI cations, having crossed to SII sites, may then further migrate within the supercage, as in (1). The cation motion is dependent on the level of sorbate loading, with 10 molecules per unit cell not being enough to induce significant cation displacements, whereas the sorption of 40 molecules per unit cell results in a number of cations being displaced from their original positions. Further rearrangement of the cation positions is observed upon evacuation of the simulation cell, with some cations reverting back to sites normally occupied in bare NaY.

Proton trapping in SiO 2 layers thermally grown on Si and SiC

NASA Astrophysics Data System (ADS)

Afanas'ev, V. V.; Ciobanu, F.; Pensl, G.; Stesmans, A.

2002-11-01

Positive charging of thermal SiO 2 layers on (1 0 0)Si and (0 0 0 1)6H-, 4H-SiC related to trapping of protons is studied using low-energy proton implantation into the oxide, and compared to the trapping of holes generated by 10-eV photons. Proton trapping has an initial probability close to 100% and shows little sensitivity to the annealing-induced oxygen deficiency of SiO 2. In contrast to protons, hole trapping in as-grown SiO 2 shows a much lower efficiency which increases upon oxide annealing, in qualitative correlation with the higher density of O 3Si• defects (E' centers) detected by electron spin resonance after hole injection. Despite these differences, the neutralization of positive charges induced by holes and protons has the same cross-section, and in both cases is accompanied by liberation of atomic H suggesting that protons account for positive charge in both cases. The rupture of Si-O bonds in the oxide observed upon proton injection suggests, as a first basic step, the bonding of a proton to a bridging oxygen atom in SiO 2 network.

Isotopic effects in sub-barrier fusion of Si + Si systems

NASA Astrophysics Data System (ADS)

Colucci, G.; Montagnoli, G.; Stefanini, A. M.; Esbensen, H.; Bourgin, D.; Čolović, P.; Corradi, L.; Faggian, M.; Fioretto, E.; Galtarossa, F.; Goasduff, A.; Grebosz, J.; Haas, F.; Mazzocco, M.; Scarlassara, F.; Stefanini, C.; Strano, E.; Szilner, S.; Urbani, M.; Zhang, G. L.

2018-04-01

Background: Recent measurements of fusion cross sections for the 28Si+28Si system revealed a rather unsystematic behavior; i.e., they drop faster near the barrier than at lower energies. This was tentatively attributed to the large oblate deformation of 28Si because coupled-channels (CC) calculations largely underestimate the 28Si+28Si cross sections at low energies, unless a weak imaginary potential is applied, probably simulating the deformation. 30Si has no permanent deformation and its low-energy excitations are of a vibrational nature. Previous measurements of this system reached only 4 mb, which is not sufficient to obtain information on effects that should show up at lower energies. Purpose: The aim of the present experiment was twofold: (i) to clarify the underlying fusion dynamics by measuring the symmetric case 30Si+30Si in an energy range from around the Coulomb barrier to deep sub-barrier energies, and (ii) to compare the results with the behavior of 28Si+28Si involving two deformed nuclei. Methods: 30Si beams from the XTU tandem accelerator of the Laboratori Nazionali di Legnaro of the Istituto Nazionale di Fisica Nucleare were used, bombarding thin metallic 30Si targets (50 μ g /cm2) enriched to 99.64 % in mass 30. An electrostatic beam deflector allowed the detection of fusion evaporation residues (ERs) at very forward angles, and angular distributions of ERs were measured. Results: The excitation function of 30Si+30Si was measured down to the level of a few microbarns. It has a regular shape, at variance with the unusual trend of 28Si+28Si . The extracted logarithmic derivative does not reach the LCS limit at low energies, so that no maximum of the S factor shows up. CC calculations were performed including the low-lying 2+ and 3- excitations. Conclusions: Using a Woods-Saxon potential the experimental cross sections at low energies are overpredicted, and this is a clear sign of hindrance, while the calculations performed with a M3Y + repulsion

Advances in SiC/SiC Composites for Aero-Propulsion

NASA Technical Reports Server (NTRS)

DiCarlo, James A.

2013-01-01

In the last decade, considerable progress has been made in the development and application of ceramic matrix composites consisting of silicon carbide (SiC) based matrices reinforced by small-diameter continuous-length SiC-based fibers. For example, these SiC/SiC composites are now in the early stages of implementation into hot-section components of civil aero-propulsion gas turbine engines, where in comparison to current metallic components they offer multiple advantages due to their lighter weight and higher temperature structural capability. For current production-ready SiC/SiC, this temperature capability for long time structural applications is 1250 degC, which is better than 1100 degC for the best metallic superalloys. Foreseeing that even higher structural reliability and temperature capability would continue to increase the advantages of SiC/SiC composites, progress in recent years has also been made at NASA toward improving the properties of SiC/SiC composites by optimizing the various constituent materials and geometries within composite microstructures. The primary objective of this chapter is to detail this latter progress, both fundamentally and practically, with particular emphasis on recent advancements in the materials and processes for the fiber, fiber coating, fiber architecture, and matrix, and in the design methods for incorporating these constituents into SiC/SiC microstructures with improved thermo-structural performance.

Modelling the influence of high currents on the cutoff frequency in Si/SiGe/Si heterojunction transistors

NASA Astrophysics Data System (ADS)

Briggs, P. J.; Walker, A. B.; Herbert, D. C.

1998-05-01

A one-dimensional self-consistent bipolar Monte Carlo simulation code has been used to model carrier mobilities in strained doped SiGe and the base-collector region of Si/SiGe/Si and SiC/Si heterojunction bipolar transistors (HBTs) with wide collectors, to study the variation of the cutoff frequency 0268-1242/13/5/005/img6 with collector current density 0268-1242/13/5/005/img7. Our results show that while the presence of strain enhances the electron mobility, the scattering from alloy disorder and from ionized impurities reduces the electron mobility so much that it is less than that of Si at the same doping level, leading to larger base transit times 0268-1242/13/5/005/img8 and hence poorer 0268-1242/13/5/005/img6 performance for large 0268-1242/13/5/005/img7 for an Si/SiGe/Si HBT than for an SiC/Si HBT. At high values of 0268-1242/13/5/005/img7, we demonstrate the formation of a parasitic electron barrier at the base-collector interface which causes a sharp increase in 0268-1242/13/5/005/img8 and hence a dramatic reduction in 0268-1242/13/5/005/img6. Based on a comparison of the height of this parasitic barrier with estimates from an analytical model, we suggest a physical mechanism for base pushout after barrier formation that differs somewhat from that given for the analytical model.

Modeling Creep Effects within SiC/SiC Turbine Components

NASA Technical Reports Server (NTRS)

DiCarlo, J. A.; Lang, J.

2008-01-01

Anticipating the implementation of advanced SiC/SiC ceramic composites into the hot section components of future gas turbine engines, the primary objective of this on-going study is to develop physics-based analytical and finite-element modeling tools to predict the effects of constituent creep on SiC/SiC component service life. A second objective is to understand how to possibly select and manipulate constituent materials, processes, and geometries in order to minimize these effects. In initial studies aimed at SiC/SiC components experiencing through-thickness stress gradients, creep models were developed that allowed an understanding of detrimental residual stress effects that can develop globally within the component walls. It was assumed that the SiC/SiC composites behaved as isotropic visco-elastic materials with temperature-dependent creep behavior as experimentally measured in-plane in the fiber direction of advanced thin-walled 2D SiC/SiC panels. The creep models and their key results are discussed assuming state-of-the-art SiC/SiC materials within a simple cylindrical thin-walled tubular structure, which is currently being employed to model creep-related effects for turbine airfoil leading edges subjected to through-thickness thermal stress gradients. Improvements in the creep models are also presented which focus on constituent behavior with more realistic non-linear stress dependencies in order to predict such key creep-related SiC/SiC properties as time-dependent matrix stress, constituent creep and content effects on composite creep rates and rupture times, and stresses on fiber and matrix during and after creep.

Effect of P, Na, Mg, and Ag content on the in vitro bioactivity, wettability and mechanical strength of sol-gel glasses

NASA Astrophysics Data System (ADS)

Bouhazma, S.; Chajri, S.; Herradi, S.; Khaldi, M.; El Hachadi, A.; El Bali, B.; Lachkar, M.

2018-03-01

Bioactive glasses of the type SiO2-CaO, SiO 2 -CaO-P2O5, and SiO2-CaO-P2O5-MO (M = Na, Mg, or Ag) were obtained by the sol-gel processing method. The obtained materials was characterized by X-ray powder diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and scanning electron microscopy coupled with energy dispersive spectroscopy (SEM/EDS). Contact angle and surface tension variation with time were determined at 25°C, respectively, by the sessile and pendant drop techniques, for distinct testing liquids: water, diiodomethane, formamide, and simulated body fluid (SBF). The in vitro studies showed that all gel-glasses compositions produced were bioactive. In the present work, three effects of elements (Mg, Na, Ag) in the glass were detected: (i) good mechanical strength with satisfactory biodegradability, (ii) formation of hydroxyapatite, which may promote good bone bonding and (iii) the good wettability.

Synthesis and characterization of laminated Si/SiC composites

PubMed Central

Naga, Salma M.; Kenawy, Sayed H.; Awaad, Mohamed; Abd El-Wahab, Hamada S.; Greil, Peter; Abadir, Magdi F.

2012-01-01

Laminated Si/SiC ceramics were synthesized from porous preforms of biogenous carbon impregnated with Si slurry at a temperature of 1500 °C for 2 h. Due to the capillarity infiltration with Si, both intrinsic micro- and macrostructure in the carbon preform were retained within the final ceramics. The SEM micrographs indicate that the final material exhibits a distinguished laminar structure with successive Si/SiC layers. The produced composites show weight gain of ≈5% after heat treatment in air at 1300 °C for 50 h. The produced bodies could be used as high temperature gas filters as indicated from the permeability results. PMID:25685404

Propagation of misfit dislocations from buffer/Si interface into Si

DOEpatents

Liliental-Weber, Zuzanna [El Sobrante, CA; Maltez, Rogerio Luis [Porto Alegre, BR; Morkoc, Hadis [Richmond, VA; Xie, Jinqiao [Raleigh, VA

2011-08-30

Misfit dislocations are redirected from the buffer/Si interface and propagated to the Si substrate due to the formation of bubbles in the substrate. The buffer layer growth process is generally a thermal process that also accomplishes annealing of the Si substrate so that bubbles of the implanted ion species are formed in the Si at an appropriate distance from the buffer/Si interface so that the bubbles will not migrate to the Si surface during annealing, but are close enough to the interface so that a strain field around the bubbles will be sensed by dislocations at the buffer/Si interface and dislocations are attracted by the strain field caused by the bubbles and move into the Si substrate instead of into the buffer epi-layer. Fabrication of improved integrated devices based on GaN and Si, such as continuous wave (CW) lasers and light emitting diodes, at reduced cost is thereby enabled.

Tribological Performance of Ni3Al Matrix Self-Lubricating Composites Containing Multilayer Graphene and Ti3SiC2 at Elevated Temperatures

NASA Astrophysics Data System (ADS)

Yan, Zhao; Shi, Xiaoliang; Huang, Yuchun; Deng, Xiaobin; Yang, Kang; Liu, Xiyao

2017-09-01

The application of Ni3Al-based alloy (NA) in the field of aerospace was limited by its poor tribological properties. For improving the tribological performance of NA, multilayer graphene (MLG) and Ti3SiC2 were added in Ni3Al matrix composites. Tribological behavior of Ni3Al matrix composites containing 1.5 wt.% MLG and 10 wt.% Ti3SiC2 (NMT) against Si3N4 ball at 12 N-0.2 m/s from 25 to 750 °C was investigated. The results showed that NMT exhibited the excellent tribological behavior [lower friction coefficients (0.26-0.57) and less wear resistance (3.1-6.5 × 10-6 mm3 N-1 m-1)] due to synergetic effect of MLG and Ti3SiC2 over a wide temperature range from 25 to 750 °C. At 25-350 °C, part of MLG enriched on worn surface could play a role in reducing friction and improving wear resistance. At 350-550 °C, although MLG gradually lost the lubricating properties, the partial decomposition of Ti3SiC2 could continually improve the tribological properties of NMT. At 550-750 °C, Ti3SiC2 on worn surface was oxidized to form lubricating film, while Ti3SiC2 in the subsurface played an important role in supporting the film, resulting in the excellent high-temperature tribological performance. The research had good guiding significance for the preparation of wide temperature range self-lubricating material and the study of synergetic effect of complex solid lubricants.

Mechanical behaviour of AlSiC nano composites produced by ball milling and spark plasma sintering =

NASA Astrophysics Data System (ADS)

Buchheim, Claudia Sofia de Andrade Redondo Murilhas

Neste trabalho foram produzidos nanocompositos de AlSiC misturando aluminio puro com nano particulas de SiC com diâmetro de 45 - 55 nm, usando, de forma sequencial, a tecnica da metalurgia do po e a compactacao por "Spark Plasma Sintering". O composito obtido apresentava graos com 100 nm de diâmetro, encontrandose as particulas de SiC localizadas, principalmente, nas fronteiras de grao. O nanocomposito sob a forma de provetes cilindricos foi submetido a testes de compressao uniaxial e a testes de nanoindentacao para analisar a influencia das nanoparticulas de SiC, da fracao volumica de acido estearico e do tempo de moagem, nas propriedades mecânicas do material. Para efeitos de comparacao, utilizouse o comportamento mecânico do Al puro processado em condicoes similares e da liga de aluminio AA1050O. A tensao limite de elasticidade do nanocomposito com 1% Vol./Vol. de SiC e dez vezes superior a do AA1050. O refinamento de grao a escala nano constitui o principal mecanismo de aumento de resistencia mecânica. Na realidade, o Al nanocristalino sem reforco de particulas de SiC, apresenta uma tensao limite de elasticidade sete vezes superior a da liga AA1050O. A adicao de 0,5 % Vol./Vol. e de 1 % Vol./Vol. de SiC conduzem, respetivamente, ao aumento da tensao limite de elasticidade em 47 % e 50%. O aumento do tempo de moagem e a adicao de acido estearico ao po durante a moagem conduzem apenas a um pequeno aumento da tensao de escoamento. A dureza do material medida atraves de testes de nanoindentacao confirmaram os dados anteriores. A estabilidade das microestruturas do aluminio puro e do nanocomposito AlSiC, foi testada atraves de recozimento de restauracao realizado as temperaturas de 150 °C e 250 °C durante 2 horas. Aparentemente, o tratamento termico nao influenciou as propriedades mecânicas dos materiais, excepto do nanocomposito com 1 % Vol./Vol. de SiC restaurado a temperatura de 250 °C, para o qual se observou uma reducao da tensao limite de elasticidade

Predicting and monitoring response to chemotherapy by 1,3-bis(2-chloroethyl)-1-nitrosourea in subcutaneously implanted 9L glioma using the apparent diffusion coefficient of water and 23Na MRI.

PubMed

Babsky, Andriy M; Hekmatyar, S K; Zhang, Hong; Solomon, James L; Bansal, Navin

2006-07-01

To examine the effects of the alkylating anticancer drug 1,3-bis(2-chloroethyl)-1-nitrosourea (BCNU) on (23)Na MRI and the water apparent diffusion coefficient (ADC) in subcutaneously- (sc-) implanted 9L glioma in rats. (23)Na MRI and (1)H water ADC measurements were performed on sham-treated control (N = 6) and BCNU-treated (N = 15) Fisher rats one day before BCNU injection and then one, three, and five days after BCNU injection. The BCNU-treated tumors were divided into BCNU-responsive (R(BCNU)) and BCNU-nonresponsive (NR(BCNU)) groups depending on the tumor volume changes that occurred after therapy. The pretreatment (23)Na MRI signal intensity (SI) and water ADC values were higher in R(BCNU) tumors compared to NR(BCNU) tumors. (23)Na MRI SI and water ADC increased with tumor growth in control and NR(BCNU) groups, but these changes were interrupted by BCNU therapy in R(BCNU) group. (23)Na MRI and water ADC measurements may be useful for predicting and monitoring response to chemotherapy in some tumors. However, the changes that occurred in (23)Na MRI SI and water ADC in sc-implanted 9L tumors are in contrast to previously published results for BCNU therapy of orthotopic 9L tumors. This may have important implications for monitoring therapy response in tumors. (c) 2006 Wiley-Liss, Inc.

Uniform Si nano-dot fabrication using reconstructed structure of Si(110)

NASA Astrophysics Data System (ADS)

Yano, Masahiro; Uozumi, Yuki; Yasuda, Satoshi; Asaoka, Hidehito

2018-06-01

Si nano-dot (ND) formation on Si(110) is observed by means of a scanning tunneling microscope (STM). The initial Si-NDs are Si crystals that are continuous from the substrate and grow during the oxide layer desorption. The NDs fabricated on the flat surface of Si(110)-1 × 1 are surrounded by four types of facets with almost identical appearance probabilities. An increase in the size of the NDs increases the variety of its morphology. In contrast, most Si-NDs fabricated on straight-stepped surface of Si(110)-16 × 2 reconstructed structure are surrounded by only a single type of facet, namely the \\text{Si}(17,15,1)-2 × 1 plane. An appearance probability of the facet in which the base line is along the step of Si(110)-16 × 2 exceeds 75%. This finding provides a fabrication technique of uniformed structural Si-NDs by using the reconstructed structure of Si(110).

Photosensitized electron transfer processes in SiO2 colloids and sodium lauryl sulfate micellar systems: Correlation of quantum yields with interfacial surface potentials

PubMed Central

Laane, Colja; Willner, Itamar; Otvos, John W.; Calvin, Melvin

1981-01-01

The effectiveness of negatively charged colloidal SiO2 particles in controlling photosensitized electron transfer reactions has been studied and compared with that of the negatively charged sodium lauryl sulfate (NaLauSO4) micellar system. In particular, the photosensitized reduction of the zwitterionic electron acceptor propylviologen sulfonate (PVS0) with tris(2,2′-bipyridinium)ruthenium(II) [Ru(bipy)32+] as the sensitizer and triethanolamine as the electron donor is found to have a quantum yield of 0.033 for formation of the radical anion (PVS[unk]) in the SiO2 colloid compared with 0.005 in the homogeneous system and 0.0086 in a NaLauSO4 micellar solution. The higher quantum yields obtained with the SiO2 colloidal system are attributed to substantial stabilization against back reaction of the intermediate photoproducts—i.e., Ru(bipy)33+ and PVS[unk]—by electrostatic repulsion of the reduced electron acceptor from the negatively charged particle surface. The binding properties of the SiO2 particles and NaLauSO4 micelles were investigated by flow dialysis. The results show that the sensitizer binds to both interfaces and that the SiO2 interface is characterized by a much higher surface potential than the micellar interface (≈-170 mV vs. -85 mV). The effect of ionic strength on the surface potential was estimated from the Gouy-Chapman theory, and the measured quantum yields of photosensitized electron transfer were correlated with surface potential at different ionic strengths. This correlation shows that the quantum yield is not affected by surface potentials smaller than ≈-40 mV. At larger potentials, the quantum yield increases rapidly. The quantum yield obtained in the micellar system at different strengths fits nicely on the correlation curve for the colloid SiO2 system. These results indicate that the surface potential is the dominant factor in the quantum yield improvement for PVS0 reduction. PMID:16593095

Phosphoinnelite, Ba4Na3Ti3Si4O14(PO4,SO4)2(O,F)3, a new mineral species from peralkaline pegmatite of the Kovdor pluton, Kola Peninsula

NASA Astrophysics Data System (ADS)

Pekov, I. V.; Chukanov, N. V.; Kulikova, I. M.; Belakovsky, D. I.

2007-12-01

Phosphoinnelite, an analogue of innelite with P > S, has been found in a peralkaline pegmatite vein crosscutting calcite carbonatite at the phlogopite deposit, Kovdor pluton, Kola Peninsula. Cancrinite (partly replaced with thomsonite-Ca), orthoclase, aegirine-augite, pectolite, magnesioarfvedsonite, golyshevite, and fluorapatite are associated minerals. Phosphoinnelite occurs as lath-shaped crystals up to 0.2 × 1 × 6 mm in size, which are combined typically in bunch-, sheaf-, and rosettelike segregations. The color is yellow-brown, with vitreous luster on crystal faces and greasy luster on broken surfaces. The mineral is transparent. The streak is pale yellowish. Phosphoinnelite is brittle, with perfect cleavage parallel to the {010} and good cleavage parallel to the {100}; the fracture is stepped. The Mohs hardness is 4.5 to 5. Density is 3.82 g/cm3 (meas.) and 3.92 g/cm3 (calc.). Phosphoinnelite is biaxial (+), α = 1.730, β = 1.745, and γ = 1.764, 2V (meas.) is close to 90°. Optical orientation is Z^c ˜ 5°. Chemical composition determined by electron microprobe is as follows (wt %): 6.06 Na2O, 0.04 K2O, 0.15 CaO, 0.99 SrO, 41.60 BaO, 0.64 MgO, 1.07 MnO, 1.55 Fe2O3, 0.27 Al2O3, 17.83 SiO2, 16.88 TiO2, 0.74 Nb2O5, 5.93 P2O5, 5.29 SO3, 0.14 F, -O=F2 = -0.06, total is 99.12. The empirical formula calculated on the basis of (Si,Al)4O14 is (Ba3.59Sr0.13K0.01)Σ3.73(Na2.59Mg0.21Ca0.04)Σ3.04(Ti2.80Fe{0.26/3+}Nb0.07)Σ3.13[(Si3.93Al0.07)Σ4O14(P1.11S0.87)Σ1.98O7.96](O2.975F0.10)Σ3.075. The simplified formula is Ba4Na3Ti3Si4O14(PO4,SO4)2(O,F)3. The mineral is triclinic, space group P overline 1 or P1. The unit cell dimensions are a = 5.38, b = 7.10, c = 14.76 Å; α = 99.00°, β = 94.94°, γ = 90.14°; and V = 555 Å3, Z = 1. The strongest lines of the X-ray powder pattern [ d, Å in ( I)( hkl)] are: 14.5(100)(001), 3.455(40)(103), 3.382(35)(0overline 2 2), 2.921(35)(005), 2.810(40)(1overline 1 4), 2.683(90)(200, overline 2 01), 2.133(80)(overline 2 overline

Effect of the SiCl₄ Flow Rate on SiBN Deposition Kinetics in SiCl₄-BCl₃-NH₃-H₂-Ar Environment.

PubMed

Li, Jianping; Qin, Hailong; Liu, Yongsheng; Ye, Fang; Li, Zan; Cheng, Laifei; Zhang, Litong

2017-06-07

To improve the thermal and mechanical stability of SiC f /SiC or C/SiC composites with SiBN interphase, SiBN coating was deposited by low pressure chemical vapor deposition (LPCVD) using SiCl₄-BCl₃-NH₃-H₂-Ar gas system. The effect of the SiCl₄ flow rate on deposition kinetics was investigated. Results show that deposition rate increases at first and then decreases with the increase of the SiCl₄ flow rate. The surface of the coating is a uniform cauliflower-like structure at the SiCl₄ flow rate of 10 mL/min and 20 mL/min. The surface is covered with small spherical particles when the flow rate is 30 mL/min. The coatings deposited at various SiCl₄ flow rates are all X-ray amorphous and contain Si, B, N, and O elements. The main bonding states are B-N, Si-N, and N-O. B element and B-N bonding decrease with the increase of SiCl₄ flow rate, while Si element and Si-N bonding increase. The main deposition mechanism refers to two parallel reactions of BCl₃+NH₃ and SiCl₄+NH₃. The deposition process is mainly controlled by the reaction of BCl₃+NH₃.

A Structural Molar Volume Model for Oxide Melts Part I: Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 Melts—Binary Systems

NASA Astrophysics Data System (ADS)

Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho

2016-04-01

A structural molar volume model was developed to accurately reproduce the molar volume of molten oxides. As the non-linearity of molar volume is related to the change in structure of molten oxides, the silicate tetrahedral Q-species, calculated from the modified quasichemical model with an optimized thermodynamic database, were used as basic structural units in the present model. Experimental molar volume data for unary and binary melts in the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 system were critically evaluated. The molar volumes of unary oxide components and binary Q-species, which are model parameters of the present structural model, were determined to accurately reproduce the experimental data across the entire binary composition in a wide range of temperatures. The non-linear behavior of molar volume and thermal expansivity of binary melt depending on SiO2 content are well reproduced by the present model.

NIR-induced spatiotemporally controlled gene silencing by upconversion nanoparticle-based siRNA nanocarrier.

PubMed

Chen, Guojun; Ma, Ben; Xie, Ruosen; Wang, Yuyuan; Dou, Kefeng; Gong, Shaoqin

2017-12-27

Spatiotemporal control over the release or activation of biomacromolecules such as siRNA remains a significant challenge. Light-controlled release has gained popularity in recent years; however, a major limitation is that most photoactivable compounds/systems respond only to UV irradiation, but not near-infrared (NIR) light that offers a deeper tissue penetration depth and better biocompatibility. This paper reports a simple NIR-to-UV upconversion nanoparticle (UCNP)-based siRNA nanocarrier for NIR-controlled gene silencing. siRNA is complexed onto a NaYF 4 :Yb/Tm/Er UCNP through an azobenzene (Azo)-cyclodextrin (CD) host-guest interaction. The UV emission generated by the NIR-activated UCNP effectively triggers the trans-to-cis photoisomerization of azobenzene, thus leading to the release of siRNA due to unmatched host-guest pairs. The UCNP-siRNA complexes are also functionalized with PEG (i.e., UCNP-(CD/Azo)-siRNA/PEG NPs), targeting ligands (i.e., EGFR-specific GE11 peptide), acid-activatable cell-penetrating peptides (i.e., TH peptide), and imaging probes (i.e., Cy5 fluorophore). The UCNP-(CD/Azo)-siRNA/PEG NPs with both GE11 and TH peptides display a high level of cellular uptake and an excellent endosomal/lysosomal escape capability. More importantly, NIR-controlled spatiotemporal knockdown of GFP expression is successfully achieved in both a 2D monolayer cell model and a 3D multicellular tumor spheroid model. Thus, this simple and versatile nanoplatform has great potential for the selective activation or release of various biomacromolecules. Copyright © 2017. Published by Elsevier B.V.

Lithium monosilicide (LiSi), a low-dimensional silicon-based material prepared by high pressure synthesis: NMR and vibrational spectroscopy and electrical properties characterization

NASA Astrophysics Data System (ADS)

Stearns, Linda A.; Gryko, Jan; Diefenbacher, Jason; Ramachandran, Ganesh K.; McMillan, Paul F.

2003-06-01

Lithium monosilicide (LiSi) was formed at high pressures and high temperatures (1.0-2.5 GPa and 500-700°C) in a piston-cylinder apparatus. This compound was previously shown to have an unusual structure based on 3-fold coordinated silicon atoms arranged into interpenetrating sheets. In the present investigation, lowered synthesis pressures permitted recovery of large (150-200 mg) quantities of sample for structural studies via NMR spectroscopy ( 29Si and 7Li), Raman spectroscopy and electrical conductivity measurements. The 29Si chemical shift occurs at -106.5 ppm, intermediate between SiH 4 and Si(Si(CH 3) 3) 4, but lies off the trend established by the other alkali monosilicides (NaSi, KSi, RbSi, CsSi), that contain isolated Si 44- anions. Raman spectra show a strong peak at 508 cm -1 due to symmetric Si-Si stretching vibrations, at lower frequency than for tetrahedrally coordinated Si frameworks, due to the longer Si-Si bonds in the 3-coordinated silicide. Higher frequency vibrations occur due to asymmetric stretching. Electrical conductivity measurements indicate LiSi is a narrow-gap semiconductor ( Eb˜0.057 eV). There is a rapid increase in conductivity above T=450 K, that might be due to the onset of Li + mobility.

Bioactivity of gel-glass powders in the CaO-SiO2 system: a comparison with ternary (CaO-P2O5-SiO2) and quaternary glasses (SiO2-CaO-P2O5-Na2O).

PubMed

Saravanapavan, Priya; Jones, Julian R; Pryce, Russell S; Hench, Larry L

2003-07-01

Bioactive glasses react chemically with body fluids in a manner that is compatible with the repair processes of the tissues. This results in the formation of an interfacial bond between the glasses and living tissue. Bioactive glasses also stimulate bone-cell proliferation. This behavior is dependent on the chemical composition as well as the surface texture of the glasses. It has been recently reported that gel-derived monolith specimens in the binary SiO2 - CaO are bioactive over a similar molar range of SiO2 content as the previously studied ternary CaO-P2O5-SiO2 system. In this report, the preparation and bioactivity of the binary gel-glass powder with 70 mol % SiO2 is discussed and its bioactivity is compared with the melt-derived 45S5 (quaternary) Bioglass and sol-gel-derived 58S (ternary) bioactive gel-glass compositions. Dissolution kinetic parameters K(1) and K(2) were also computed based on the silicon release for all glass powders. It was shown that the simple two-component SiO2-CaO gel-glass powder is bioactive with comparable dissolution rates as the clinically used melt-derived 45S5 Bioglass powder and extensively studied sol-gel-derived 58S gel-glass powder. Copyright 2003 Wiley Periodicals, Inc.

Preparation and corrosion resistance of electroless Ni-P/SiC functionally gradient coatings on AZ91D magnesium alloy

NASA Astrophysics Data System (ADS)

Wang, Hui-Long; Liu, Ling-Yun; Dou, Yong; Zhang, Wen-Zhu; Jiang, Wen-Feng

2013-12-01

In this paper, the protective electroless Ni-P/SiC gradient coatings on AZ91D magnesium alloy substrate were successfully prepared. The prepared Ni-P/SiC gradient coatings were characterized for its microstructure, morphology, microhardness and adhesion to the substrate. The deposition reaction kinetics was investigated and an empirical rate equation for electroless Ni-P/SiC plating on AZ91D magnesium alloy was developed. The anticorrosion properties of the Ni-P/SiC gradient coatings in 3.5 wt.% NaCl solution were evaluated by potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) studies. The potentiodynamic polarization measurements revealed that the SiC concentration in the bath and heat treatment can influence the corrosion protection performance of electroless deposited Ni-P/SiC gradient coatings. EIS studies indicated that higher charge transfer resistance and slightly lower capacitance values were obtained for Ni-P/SiC gradient coatings compared to Ni-P coatings. The corrosion resistance of the Ni-P/SiC gradient coatings increases initially and decreases afterwards with the sustained increasing of immersion time in the aggressive medium. The electroless Ni-P/SiC gradient coatings can afford better corrosion protection for magnesium alloy substrate compared with Ni-P coatings.

Comparison of Cyclic Hysteresis Behavior between Cross-Ply C/SiC and SiC/SiC Ceramic-Matrix Composites

PubMed Central

Li, Longbiao

2016-01-01

In this paper, the comparison of cyclic hysteresis behavior between cross-ply C/SiC and SiC/SiC ceramic-matrix composites (CMCs) has been investigated. The interface slip between fibers and the matrix existed in the matrix cracking mode 3 and mode 5, in which matrix cracking and interface debonding occurred in the 0° plies are considered as the major reason for hysteresis loops of cross-ply CMCs. The hysteresis loops of cross-ply C/SiC and SiC/SiC composites corresponding to different peak stresses have been predicted using present analysis. The damage parameter, i.e., the proportion of matrix cracking mode 3 in the entire matrix cracking modes of the composite, and the hysteresis dissipated energy increase with increasing peak stress. The damage parameter and hysteresis dissipated energy of C/SiC composite under low peak stress are higher than that of SiC/SiC composite; However, at high peak stress, the damage extent inside of cross-ply SiC/SiC composite is higher than that of C/SiC composite as more transverse cracks and matrix cracks connect together. PMID:28787861

Comparison of Cyclic Hysteresis Behavior between Cross-Ply C/SiC and SiC/SiC Ceramic-Matrix Composites.

PubMed

Li, Longbiao

2016-01-19

In this paper, the comparison of cyclic hysteresis behavior between cross-ply C/SiC and SiC/SiC ceramic-matrix composites (CMCs) has been investigated. The interface slip between fibers and the matrix existed in the matrix cracking mode 3 and mode 5, in which matrix cracking and interface debonding occurred in the 0° plies are considered as the major reason for hysteresis loops of cross-ply CMCs. The hysteresis loops of cross-ply C/SiC and SiC/SiC composites corresponding to different peak stresses have been predicted using present analysis. The damage parameter, i.e. , the proportion of matrix cracking mode 3 in the entire matrix cracking modes of the composite, and the hysteresis dissipated energy increase with increasing peak stress. The damage parameter and hysteresis dissipated energy of C/SiC composite under low peak stress are higher than that of SiC/SiC composite; However, at high peak stress, the damage extent inside of cross-ply SiC/SiC composite is higher than that of C/SiC composite as more transverse cracks and matrix cracks connect together.

Phase equilibria in the NaF-CdO-NaPO{sub 3} system at 873 K and crystal structure and physico-chemical characterizations of the new Na{sub 2}CdPO{sub 4}F fluorophosphate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aboussatar, Mohamed; Laboratoire de Physico-Chimie de l’État Solide, Faculté des Sciences de Sfax, Université de Sfax, BP 1171, 3000 Sfax; Mbarek, Aïcha

Isothermal sections of the diagram representing phase relationships in the NaF-CdO-NaPO{sub 3} system have been investigated by solid state reactions and powder X-ray diffraction. This phase diagram investigation confirms the polymorphism of the NaCdPO{sub 4} side component and the structure of the ß high temperature polymorph (orthorhombic, space group Pnma and unit cell parameters a=9.3118(2), b=7.0459(1), c=5.1849(1) Å has been refined. A new fluorophosphate, Na{sub 2}CdPO{sub 4}F, has been discovered and its crystal structure determined and refined from powder X-ray diffraction data. It exhibits a new 3D structure with orthorhombic symmetry, space group Pnma and unit cell parameters a=5.3731(1), b=6.8530(1),more » c=12.2691(2) Å. The structure is closely related to those of the high temperature polymorph of the nacaphite Na{sub 2}CaPO{sub 4}F and the fluorosilicate Ca{sub 2}NaSiO{sub 4}F but differs essentially in the cationic repartition since the structure is fully ordered with one Na site (8d) and one Cd site (4c). Relationships with other Na{sub 2}M{sup II}PO{sub 4}F (M{sup II}=Mg, Ca, Mn, Fe, Co, Ni) have been examined and the crystal-chemical and topographical analysis of these fluorophosphates is briefly reviewed. IR, Raman, optical and {sup 19}F, {sup 23}Na, {sup 31}P MAS NMR characterizations of Na{sub 2}CdPO{sub 4}F have been investigated. - Graphical abstract: The structure of the compound Na{sub 2}CdPO{sub 4}F, discovered during the study of the phase relationships in the NaF-CdO-NaPO{sub 3} system, has been determined and compared with other Na{sub 2}M{sup II}PO{sub 4}F fluorophosphates. - Highlights: • XRD analysis of the isothermal section of the NaF-CdO-NaPO{sub 3} system at 923 K. • Rietveld refinement of the high temperature polymorph β-NaCdPO{sub 4}. • Crystal structure of the new Na{sub 2}CdPO{sub 4}F fluorophosphate determined from powder XRD. • Crystal structure - composition relationships of Na{sub 2}M{sup II}PO{sub 4}F

Low-temperature magnetotransport in Si/SiGe heterostructures on 300 mm Si wafers

NASA Astrophysics Data System (ADS)

Scappucci, Giordano; Yeoh, L.; Sabbagh, D.; Sammak, A.; Boter, J.; Droulers, G.; Kalhor, N.; Brousse, D.; Veldhorst, M.; Vandersypen, L. M. K.; Thomas, N.; Roberts, J.; Pillarisetty, R.; Amin, P.; George, H. C.; Singh, K. J.; Clarke, J. S.

Undoped Si/SiGe heterostructures are a promising material stack for the development of spin qubits in silicon. To deploy a qubit into high volume manufacturing in a quantum computer requires stringent control over substrate uniformity and quality. Electron mobility and valley splitting are two key electrical metrics of substrate quality relevant for qubits. Here we present low-temperature magnetotransport measurements of strained Si quantum wells with mobilities in excess of 100000 cm2/Vs fabricated on 300 mm wafers within the framework of advanced semiconductor manufacturing. These results are benchmarked against the results obtained in Si quantum wells deposited on 100 mm Si wafers in an academic research environment. To ensure rapid progress in quantum wells quality we have implemented fast feedback loops from materials growth, to heterostructure FET fabrication, and low temperature characterisation. On this topic we will present recent progress in developing a cryogenic platform for high-throughput magnetotransport measurements.

Comparative study of three magnetic nano-particles (FeSO4, FeSO4/SiO2, FeSO4/SiO2/TiO2) in plasmid DNA extraction.

PubMed

Rahnama, H; Sattarzadeh, A; Kazemi, F; Ahmadi, N; Sanjarian, F; Zand, Z

2016-11-15

Recent updates on Magnetic Nano-Particles (MNPs) based separation of nucleic acids have received more attention due to their easy manipulation, simplicity, ease of automation and cost-effectiveness. It has been indicated that DNA molecules absorb on solid surfaces via hydrogen-bonding, and hydrophobic and electrostatic interactions. These properties highly depend on the surface condition of the solid support. Therefore, surface modification of MNPs may enhance their functionality and specification. In the present study, we functionalized Fe3O4 nano-particle surface utilizing SiO2 and TiO2 layer as Fe3O4/SiO2 and Fe3O4/SiO2/TiO2 and then compare their functionality in the adsorption of plasmid DNA molecules with the naked Fe3O4 nano-particles. The result obtained showed that the purity and amount of DNA extracted by Fe3O4 coated by SiO2 or SiO2/TiO2 were higher than the naked Fe3O4 nano-particles. Furthermore, we obtained pH 8 and 1.5 M NaCl as an optimal condition for desorption of DNA from MNPs. The result further showed that, 0.2 mg nano-particle and 10 min at 55 °C are the optimal conditions for DNA desorption from nano-particles. In conclusion, we recommended Fe3O4/SiO2/TiO2 as a new MNP for separation of DNA molecules from biological sources. Copyright © 2016 Elsevier Inc. All rights reserved.

Controlled formation of GeSi nanostructures on pillar-patterned Si substrate

NASA Astrophysics Data System (ADS)

Zhou, Tong; Zeng, Ceng; Fan, Yongliang; Jiang, Zuimin; Xia, Jinsong; Zhong, Zhenyang; Fudan University Team; Huazhong University of Science; Technology Collaboration

2015-03-01

GeSi quantum nanostructures (QNs) have potential applications in optoelectronic devices due to their unique properties and compatibility with the sophisticated Si technology. However, the disadvantages of poor quantum efficiency of the GeSi QNs on flat Si (001) substrates hinder their optoelectronic applications. Today, numerous growth strategies have been proposed to control the formation of GeSi QNs in hope of improving the optoelectronic performances. One of the ways is to fabricate GeSi QNs on patterned substrates, where the GeSi QNs can be greatly manipulated in aspects of size, shape, composition, orientation and arrangement. Here, self-assembled GeSi QNs on periodic Si (001) sub-micro pillars (SPMs) are systematically studied. By controlling the growth conditions and the diameters of the SPMs, different GeSi QNs, including circularly arranged quantum dots (QDs), quantum rings (QRs), and quantum dot molecules (QDMs), are realized at the top edge of SMPs. Meanwhile, fourfold symmetric GeSi QDMs can be also obtained at the base edges of the SPMs. The promising features of self-assembled GeSi QNs are explained in terms of the surface chemical potential, which disclose the critical effect of surface morphology on the diffusion and the aggregation of Ge adatoms.

siRNAmod: A database of experimentally validated chemically modified siRNAs.

PubMed

Dar, Showkat Ahmad; Thakur, Anamika; Qureshi, Abid; Kumar, Manoj

2016-01-28

Small interfering RNA (siRNA) technology has vast potential for functional genomics and development of therapeutics. However, it faces many obstacles predominantly instability of siRNAs due to nuclease digestion and subsequently biologically short half-life. Chemical modifications in siRNAs provide means to overcome these shortcomings and improve their stability and potency. Despite enormous utility bioinformatics resource of these chemically modified siRNAs (cm-siRNAs) is lacking. Therefore, we have developed siRNAmod, a specialized databank for chemically modified siRNAs. Currently, our repository contains a total of 4894 chemically modified-siRNA sequences, comprising 128 unique chemical modifications on different positions with various permutations and combinations. It incorporates important information on siRNA sequence, chemical modification, their number and respective position, structure, simplified molecular input line entry system canonical (SMILES), efficacy of modified siRNA, target gene, cell line, experimental methods, reference etc. It is developed and hosted using Linux Apache MySQL PHP (LAMP) software bundle. Standard user-friendly browse, search facility and analysis tools are also integrated. It would assist in understanding the effect of chemical modifications and further development of stable and efficacious siRNAs for research as well as therapeutics. siRNAmod is freely available at: http://crdd.osdd.net/servers/sirnamod.

Comparative study of SiC- and Si-based photovoltaic inverters

NASA Astrophysics Data System (ADS)

Ando, Yuji; Oku, Takeo; Yasuda, Masashi; Shirahata, Yasuhiro; Ushijima, Kazufumi; Murozono, Mikio

2017-01-01

This article reports comparative study of 150-300 W class photovoltaic inverters (Si inverter, SiC inverter 1, and SiC inverter 2). In these sub-kW class inverters, the ON-resistance was considered to have little influence on the efficiency. The developed SiC inverters, however, have exhibited an approximately 3% higher direct current (DC)-alternating current (AC) conversion efficiency as compared to the Si inverter. Power loss analysis indicated a reduction in the switching and reverse recovery losses of SiC metal-oxide-semiconductor field-effect transistors used for the DC-AC converter is responsible for this improvement. In the SiC inverter 2, an increase of the switching frequency up to 100 kHz achieved a state-of-the-art combination of the weight (1.25 kg) and the volume (1260 cm3) as a 150-250 W class inverter. Even though the increased switching frequency should cause the increase of the switching losses, the SiC inverter 2 exhibited an efficiency comparable to the SiC inverter 1 with a switching frequency of 20 kHz. The power loss analysis also indicated a decreased loss of the DC-DC converter built with SiC Schottky barrier diodes led to the high efficiency for its increased switching frequency. These results clearly indicated feasibility of SiC devices even for sub-kW photovoltaic inverters, which will be available for the applications where compactness and efficiency are of tremendous importance.

Structural effects in the interstitial solid solution system (La,Ce)(Fe,Si)13Cx-H: Correlation with hydrogenation kinetics

NASA Astrophysics Data System (ADS)

Hai, X.; Porcher, F.; Mayer, C.; Miraglia, S.

2018-02-01

Steady state and in-situ neutron powder diffraction on selected compositions of the magneto-caloric (La,Ce)(Fe,Si)13CxHy compounds has been used to locate the sites accommodated by the interstitial species and to reveal the structural modifications (breathing) that occur upon metal substitution and/or interstitial insertion. The latter type of measurement in which the sequential filling of interstitial sites is followed allows one to extract some useful hydrogenation kinetics data. This structural investigation has allowed to precise the deformations undergone by the complex metallic alloys La(Fe,Si)13 when subjected to light interstitial insertion or rare earth substitution at the cation site of the NaZn13-structure type. We attempt to correlate hydrogenation kinetics variations (depression or enhancement of the hydrogen absorption rate) with a particular inhomogeneous cell variation (breathing) and bonding of the NaZn13 structure-type.

Influence of CO annealing in metal-oxide-semiconductor capacitors with SiO2 films thermally grown on Si and on SiC

NASA Astrophysics Data System (ADS)

Pitthan, E.; dos Reis, R.; Corrêa, S. A.; Schmeisser, D.; Boudinov, H. I.; Stedile, F. C.

2016-01-01

Understanding the influence of SiC reaction with CO, a by-product of SiC thermal oxidation, is a key point to elucidate the origin of electrical defects in SiC metal-oxide-semiconductor (MOS) devices. In this work, the effects on electrical, structural, and chemical properties of SiO2/Si and SiO2/SiC structures submitted to CO annealing were investigated. It was observed that long annealing times resulted in the incorporation of carbon from CO in the Si substrate, followed by deterioration of the SiO2/Si interface, and its crystallization as SiC. Besides, this incorporated carbon remained in the Si surface (previous SiO2/Si region) after removal of the silicon dioxide film by HF etching. In the SiC case, an even more defective surface region was observed due to the CO interaction. All MOS capacitors formed using both semiconductor materials presented higher leakage current and generation of positive effective charge after CO annealings. Such results suggest that the negative fixed charge, typically observed in SiO2/SiC structures, is not originated from the interaction of the CO by-product, formed during SiC oxidation, with the SiO2/SiC interfacial region.

Powder metallurgy of Ge, Si, and Ge-Si

NASA Astrophysics Data System (ADS)

Schilz, Jürgen; Langenbach, Marion

1993-03-01

id="ab1"Planetary ball-milling and pressing behaviour of Ge, Si and Ge-Si powder mixtures are investigated. Scanning and transmission electron microscopy observations revealed the different microstructure of the two elements after milling: Ge remains in a microcrystalline state, whereas Si can be comminuted into grains consisting of nanocrystalline regions. Planetary milling of the two elements together, using agate balls and vial, did not reveal any compound formation. By hot-isostatic pressing, pure Ge and Ge-Si mixtures were densified to a higher value than pure Si. This denotes a plastic flow of the Ge component at a process temperature of 800°C. The microhardness of hot-pressed Ge reaches the bulk value; hot-pressed Si is very soft. Energy dispersive X-ray analysis and X-ray diffraction did not detect any impurity contamination from vial and milling media wear. Moreover, by electrical transport measurements it turned out that the net carrier concentration density resulting from electrical active impurities introduced by the milling and pressing process is below 2 x 1016 cm 3 at room temperature.

Tunable Synthesis of SiC/SiO2 Heterojunctions via Temperature Modulation

PubMed Central

Li, Wei; Yang, Daoyuan; Liu, Xinhong

2018-01-01

A large-scale production of necklace-like SiC/SiO2 heterojunctions was obtained by a molten salt-mediated chemical vapor reaction technique without a metallic catalyst or flowing gas. The effect of the firing temperature on the evolution of the phase composition, microstructure, and morphology of the SiC/SiO2 heterojunctions was studied. The necklace-like SiC/SiO2 nanochains, several centimeters in length, were composed of SiC/SiO2 core-shell chains and amorphous SiO2 beans. The morphologies of the as-prepared products could be tuned by adjusting the firing temperature. In fact, the diameter of the SiO2 beans decreased, whereas the diameter of the SiC fibers and the thickness of the SiO2 shell increased as the temperature increased. The growth mechanism of the necklace-like structure was controlled by the vapor-solid growth procedure and the modulation procedure via a molten salt-mediated chemical vapor reaction process. PMID:29748482

(113) Facets of Si-Ge/Si Islands; Atomic Scale Simulation

NASA Astrophysics Data System (ADS)

Kassem, Hassan

We have studied, by computer simulation, some static and vibrationnal proprieties of SiGe/Si islands. We have used a Valence Force Field combined to Monte Carlo technique to study the growth of Ge and SiGe on (001)Si substrates. We have focalised on the case of large pyramidal islands presenting (113) facets on the free (001)Si surface with various non uniform composition inside the islands. The deformation inside the islands and Raman spectroscopy are discussed.

Si1-yCy/Si(001) gas-source molecular beam epitaxy from Si2H6 and CH3SiH3: Surface reaction paths and growth kinetics

NASA Astrophysics Data System (ADS)

Foo, Y. L.; Bratland, K. A.; Cho, B.; Desjardins, P.; Greene, J. E.

2003-04-01

In situ surface probes and postdeposition analyses were used to follow surface reaction paths and growth kinetics of Si1-yCy alloys grown on Si(001) by gas-source molecular-beam epitaxy from Si2H6/CH3SiH3 mixtures as a function of C concentration y (0-2.6 at %) and temperature Ts (500-600 °C). High-resolution x-ray diffraction reciprocal lattice maps show that all layers are in tension and fully coherent with their substrates. Film growth rates R decrease with both y and Ts, and the rate of decrease in R as a function of y increases rapidly with Ts. In situ isotopically tagged D2 temperature-programmed desorption (TPD) measurements reveal that C segregation during steady-state Si1-yCy(001) growth results in charge transfer from Si surface dangling bonds to second-layer C atoms, which have a higher electronegativity than Si. From the TPD results, we obtain the coverage θSi*(y,Ts) of Si* surface sites with C backbonds as well as H2 desorption energies Ed from both Si and Si* surface sites. θSi* increases with increasing y and Ts in the kinetically limited segregation regime while Ed decreases from 2.52 eV for H2 desorption from Si surface sites with Si back bonds to 2.22 eV from Si* surface sites. This leads to an increase in the H2 desorption rate, and hence should yield higher film deposition rates, with increasing y and/or Ts during Si1-yCy(001) growth. The effect, however, is more than offset by the decrease in Si2H6 reactive sticking probabilities at Si* surface sites. Film growth rates R(Ts,JSi2H6,JCH3SiH3) calculated using a simple transition-state kinetic model, together with measured kinetic parameters, were found to be in excellent agreement with the experimental data.

Structural transformation of Si-rich SiNx film on Si via swift heavy ions irradiation

NASA Astrophysics Data System (ADS)

Murzalinov, D.; Akilbekov, A.; Dauletbekova, A.; Vlasukova, L.; Makhavikov, M.; Zdorovets, M.

2018-03-01

The effects of 200 MeV-Xe+ irradiation with fluencies of (109–1014) cm‑2 on the phase-structural transformation of Si-rich SiNx film deposited on Si substrate by low-pressure chemical vapor deposition have been reported. It has been shown from Raman scattering data that the swift heavy ions irradiation results in the dissolution of amorphous Si nanoclusters in nitride matrix. It has been shown, too, that the swift heavy ion irradiation leads to quenching a visual photoluminescence from nitride films.

The reduction of critical H implantation dose for ion cut by incorporating B-doped SiGe/Si superlattice into Si substrate

NASA Astrophysics Data System (ADS)

Xue, Zhongying; Chen, Da; Jia, Pengfei; Wei, Xing; Di, Zengfeng; Zhang, Miao

2016-11-01

An approach to achieve Si or SiGe film exfoliation with as low as 3 × 1016/cm2 H implantation dose was investigated. Two intrinsic Si0.75Ge0.25/Si samples, merged with B-doped Si0.75Ge0.25 layer and B-doped Si0.75Ge0.25/Si superlattice (SL) layer respectively, were used to study the formation of crack after 3 × 1016/cm2 H implantation and annealing. For the sample into which B doped Si0.75Ge0.25 layer is incorporated, only few discrete cracks are observed along both sides of the B doped Si0.75Ge0.25 layer; on the contrary, a continuous (100) oriented crack is formed in the B-doped Si0.75Ge0.25/Si SL layer, which means ion cut can be achieved using this material with 3 × 1016/cm2 H implantation. As the SIMS profiles confirm that hydrogen tends to be trapped at B-doped SiGe/Si interface, the formation of continuous crack in SL layer can be ascribed to the more efficient hydrogen trapping by the multiple B-doped SiGe/Si interfaces.

Electron mobility enhancement in epitaxial multilayer Si-Si/1-x/Ge/x/ alloy films on /100/Si

NASA Technical Reports Server (NTRS)

Manasevit, H. M.; Gergis, I. S.; Jones, A. B.

1982-01-01

Enhanced Hall-effect mobilities have been measured in epitaxial (100)-oriented multilayer n-type Si/Si(1-x)Ge(x) films grown on single-crystal Si substrates by chemical vapor deposition. Mobilities from 20 to 40% higher than that of epitaxial Si layers and about 100% higher than that of epitaxial SiGe layers on Si were measured for the doping range 8 x 10 to the 15th to 10 to the 17th/cu cm. No mobility enhancement was observed in multilayer p-type (100) films and n-type (111)-oriented films. Experimental studies included the effects upon film properties of layer composition, total film thickness, doping concentrations, layer thickness, and growth temperature.

Heat of formation of petalite, LiAlSi4O10

NASA Astrophysics Data System (ADS)

Faßhauer, D. W.; Cemič, L.

The enthalpy of formation of petalite, LiAlSi4O10, has been measured using high-temperature solution calorimetry. The measurements were carried out in a Calvet-type twin micro calorimeter at 728°C. A 2PbO.B2O3 melt was used as a solvent. Tabulated heats of formation of the components and tabulated heat capacities of the reactants and the product (Robie and Hemingway 1995) were used to calculate the standard heat of formation of petalite from the measured heats of solution. The calculations yielded a mean value of ΔfHpet298.15=-4872+/-5.4 kJ mol-1. This value may be compared to the heat of formation of ΔfHpet298.15= -4886.5+/-6.3 kJ mol-1 determined by the HF solution calorimetry by Bennington etal. (1980). Faßhauer etal. (1998) combined thermodynamic data with phase-equilibrium results to obtain best-fit thermodynamic results using the Bayes method, in order to derive an internally consistent dataset for phases in the NaAlSiO4- LiAlSiO4-Al2O3-SiO2-H2O system. They determined -4865.6+/-0.8kJmol-1 as the enthalpy of formation of petalite, a value that is appreciably closer to the enthalpy found in this work.

An Isotope Study of Hydrogenation of poly-Si/SiOx Passivated Contacts for Si Solar Cells: Preprint

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schnabel, Manuel; Nemeth, William; van de Loo, Bas, W.H.

2017-06-26

For many years, the record Si solar cell efficiency stood at 25.0%. Only recently have several companies and institutes managed to produce more efficient cells, using passivated contacts of made doped poly-Si or a-Si:H and a passivating intrinsic interlayer in all cases. Common to these designs is the need to passivate the layer stack with hydrogen. In this contribution, we perform a systematic study of passivated contact passivation by hydrogen, using poly-Si/SiOx passivated contacts on n-Cz-Si, and ALD Al2O3 followed by a forming gas anneal (FGA) as the hydrogen source. We study p-type and n-type passivated contacts with implied Vocmore » exceeding 690 and 720 mV, respectively, and perform either the ALD step or the FGA with deuterium instead of hydrogen in order to separate the two processes via SIMS. By examining the deuterium concentration at the SiOx in both types of samples, we demonstrate that the FGA supplies negligible hydrogen species to the SiOx, regardless of whether the FGA is hydrogenated or deuterated. Instead, it supplies the thermal energy needed for hydrogen species in the Al2O3 to diffuse there. Furthermore, the concentration of hydrogen species at the SiOx can saturate while implied Voc continues to increase, showing that the energy from the FGA is also required for hydrogen species already at the SiOx to find recombination-active defects to passivate.« less

Pseudomorphic GeSiSn, SiSn and Ge layers in strained heterostructures