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Sample records for al si ca

  1. High-pressure synthesis and superconductivity of the Laves phase compound Ca(Al,Si)2 composed of truncated tetrahedral cages Ca@(Al,Si))12.

    PubMed

    Tanaka, Masashi; Zhang, Shuai; Inumaru, Kei; Yamanaka, Shoji

    2013-05-20

    The Zintl compound CaAl2Si2 peritectically decomposes to a new ternary cubic Laves phase Ca(Al,Si)2 and an Al-Si eutectic at temperatures above 750 °C under a pressure of 13 GPa. The ternary Laves phase compound can also be prepared as solid solutions Ca(Al(1-x)Si(x))2 (0.35 ≤ x ≤ 0.75) directly from the ternary mixtures under high-pressure and high-temperature conditions. The cubic Laves phase structure can be regarded as a type of clathrate compound composed of face-sharing truncated tetrahedral cages with Ca atoms at the center, Ca@(Al,Si)12. The compound with a stoichiometric composition CaAlSi exhibits superconductivity with a transition temperature of 2.6 K. This is the first superconducting Laves phase compound composed solely of commonly found elements.

  2. Electronic structure and unusual superconducting properties of of CaAlSi and SrAlSi

    NASA Astrophysics Data System (ADS)

    Mazin, Igor I.; Papaconstantopoulos, Dimitris

    2004-03-01

    We report full-potential LAPW calculations for CaAlSi and SrAlSi in ordered structures and in the virtual crystal approximation, at normal and elevated pressures. We also estimate the electron-phonon coupling using either frozen-phon calculations at the zone center, or the rigid muffin tin approximation. We conclude that there is no simple way to explain the recently reported qualitative disparity in the superconducting properties of the two compounds. An assumption of an ultrasoft phonon mode, on the other hand, allows to reconcile in a reasonable way the experimental findings with the theory.

  3. Oxidation of Ca-α-SiAlON Powders Prepared by Combustion Synthesis

    PubMed Central

    Li, Jinfu; Li, Zhongmin; Wang, Enhui; Wang, Zhanjun; Yin, Xiaowei; Zhang, Zuotai

    2015-01-01

    The oxidation of Ca-α-SiAlON synthesized by the combustion synthesis (CS) method with different additives was investigated in air atmosphere using thermogravimetric (TG) analysis in a temperature range from 1453 K to 1653 K. The experimental results indicated that oxidation was controlled by mixed chemical and diffusion steps. The oxidation products by XRD analysis were composed of SiO2 and CaAl2Si2O8 at low oxidation temperature, whereas the SiO2-Al2O3-CaO ternary glassy phase was formed at elevated temperature. The deviation of oxidation resistance from each sample may be due to the morphological difference brought about by different additive additions. This study reveals the effects of additives on the oxidation resistance of synthesized Ca-α-SiAlON powders. PMID:28793657

  4. Refinement of Eutectic Si in High Purity Al-5Si Alloys with Combined Ca and P Additions

    NASA Astrophysics Data System (ADS)

    Ludwig, Thomas Hartmut; Li, Jiehua; Schaffer, Paul Louis; Schumacher, Peter; Arnberg, Lars

    2015-01-01

    The effects of combined additions of Ca and P on the eutectic Si in a series of high purity Al-5 wt pct Si alloys have been investigated with the entrained droplet technique and complementary sets of conventional castings. Differential scanning calorimetry (DSC) and thermal analysis were used to investigate the eutectic droplet undercooling and the recalescence undercooling, respectively. Optical microscopy, SEM, EPMA, and TEM were employed to characterize the resultant microstructures. It was found that 250 ppm Ca addition to Al-5Si wt pct alloys with higher P contents leads to a significant increase of the eutectic droplet undercooling. For low or moderate cooling rates, the TEM results underline that Ca additions do not promote Si twinning. Thus, a higher twin density cannot be expected in Ca containing Al-Si alloys after, e.g., sand casting. Consequently, a refinement of the eutectic Si from coarse flake-like to fine plate-like structure, rather than a modification of the eutectic Si to a fibrous morphology, was achieved. This strongly indicates that the main purpose of Ca additions is to counteract the coarsening effect of the eutectic Si imposed by higher P concentrations. Significant multiple Si twinning was observed in melt-spun condition; however, this can be attributed to the higher cooling rate. After DSC heating (slow cooling), most of Si twins disappeared. Thus, the well-accepted impurity-induced twinning mechanism may be not valid in the case of Ca addition. The possible refinement mechanisms were discussed in terms of nucleation and growth of eutectic Si. We propose that the pre-eutectic Al2Si2Ca phase and preferential formation of Ca3P2 deactivate impurity particles, most likely AlP, poisoning the nucleation sites for eutectic Si.

  5. Pressure effects on the superconducting transition in nH-CaAlSi

    NASA Astrophysics Data System (ADS)

    Boeri, L.; Kim, J. S.; Giantomassi, M.; Razavi, F. S.; Kuroiwa, S.; Akimitsu, J.; Kremer, R. K.

    2008-04-01

    We present a combined experimental and theoretical study of the effects of pressure on Tc of the hexagonal layered superconductors nH-CaAlSi ( n=1 , 5, and 6), where nH denotes the different stacking variants that were recently discovered. Experimentally, the pressure dependence of Tc has been investigated by measuring the magnetic susceptibility of single crystals up to 10 kbars. In contrast to previous results on polycrystalline samples, single crystals with different stacking sequences display different pressure dependences of Tc . 1H-CaAlSi shows a decrease in Tc with pressure, whereas 5H - and 6H-CaAlSi exhibit an increase in Tc with pressure. Ab initio calculations for 1H -, 5H -, and 6H-CaAlSi reveal that an ultrasoft phonon branch associated with out-of-plane vibrations of the Al-Si layers softens with pressure, leading to a structural instability at high pressures. For 1H-CaAlSi , the softening is not sufficient to cause an increase in Tc , which is consistent with the present experiments but adverse to previous reports. For 5H and 6H , the softening provides the mechanism to understand the observed increase in Tc with pressure. Calculations for hypothetical 2H and 3H stacking variants reveal qualitative and quantitative differences.

  6. Density Measurements of Low Silica CaO-SiO2-Al2O3 Slags

    NASA Astrophysics Data System (ADS)

    Muhmood, Luckman; Seetharaman, Seshadri

    2010-08-01

    Density measurements of a low-silica CaO-SiO2-Al2O3 system were carried out using the Archimedes principle. A Pt 30 pct Rh bob and wire arrangement was used for this purpose. The results obtained were in good agreement with those obtained from the model developed in the current group as well as with other results reported earlier. The density for the CaO-SiO2 and the CaO-Al2O3 binary slag systems also was estimated from the ternary values. The extrapolation of density values for high-silica systems also showed good agreement with previous works. An estimation for the density value of CaO was made from the current experimental data. The density decrease at high temperatures was interpreted based on the silicate structure. As the mole percent of SiO2 was below the 33 pct required for the orthosilicate composition, discrete {text{SiO}}4^{4 - } tetrahedral units in the silicate melt would exist along with O2- ions. The change in melt expansivity may be attributed to the ionic expansions in the order of {text{Al}}^{ 3+ } - {text{O}}^{ 2- } < {text{Ca}}^{ 2+ } - {text{O}}^{ 2- } < {text{Ca}}^{ 2+ } - {text{O}}^{ - } Structural changes in the ternary slag also could be correlated to a drastic change in the value of enthalpy of mixing.

  7. NMR probe of pseudogap characteristics in CaAl2-xSi2+x

    NASA Astrophysics Data System (ADS)

    Lue, C. S.; Wang, S. Y.; Fang, C. P.

    2007-06-01

    We report the results of a Al27 nuclear magnetic resonance (NMR) study of CaAl2-xSi2+x , near the stoichiometric composition with x=0 . The low-temperature NMR relaxation rates for stoichiometric (x=0) and nonstoichiometric ( x=-0.1 and 0.1) compounds follow a Korringa law, associated with a finite density of carriers at the Fermi level. High-temperature relaxation rates for x⩾0 go over to a semiconductorlike activated form, providing information about the electronic structure near the Fermi energy. The results are consistent with pseudogap features identified by recent band-structure calculations. An analysis of the pseudogap change vs composition further points out that the band-filling picture is proper for the understanding of the NMR observations in CaAl2-xSi2+x .

  8. Preparation and properties of Eu doped CaAlSiN3 red phosphor

    NASA Astrophysics Data System (ADS)

    He, Pan; Zhang, Ning; Man, Shiqing

    2017-03-01

    The Eu2+ activated CaAlSiN3 phosphor was synthesized by solid-state reaction method under a nitrogen atmosphere at 1550°C for 6h. The phosphors structure was measured by X-ray diffraction (XRD); excitation spectra, emission spectra and decay lifetime were obtained by fluorescence spectrophotometer equipped. It showed a broad excitation band originating from the 4f7-4f65d transition of Eu2+ ion extending to 650nm and the peaking at 467nm; a strong emission band centering at 668nm, and the lifetime of Eu2+ in the CaAlSiN3 host is 1.4227 µs.

  9. Equation of state of Ca2AlSiO5.5 oxygen defect perovskite

    NASA Astrophysics Data System (ADS)

    Xu, Chaowen; Zhai, Shuangmeng; Ye, Lijin; Higo, Yuji

    2015-04-01

    The elastic properties of synthetic low-pressure and high-pressure Ca2AlSiO5.5 oxygen defect perovskites were investigated by in situ X-ray diffraction in a large-volume high-pressure apparatus. The P- V- T data were collected up to 22.75 GPa at room temperature, up to 12.88 GPa and 1,300 K for low-pressure phase and up to 25.76 GPa at room temperature for high-pressure phase. The P- V data at room temperature were fitted using a third-order Birch-Murnaghan equation of state to obtain K 0 = 146.1(9) GPa and = 3.64(9) for the monoclinic low-pressure phase, and K 0 = 150.4(19) GPa and = 3.16(23) for the rhombohedral high-pressure phase. If was fixed at 4.0, the isothermal bulk moduli were obtained as 142.6(3) and 144.0(8) GPa for low-pressure and high-pressure phase, respectively. Both the low-pressure and high-pressure Ca2AlSiO5.5 oxygen defect perovskites are much softer than pure CaSiO3 perovskite. The P- V- T data of low-pressure phase were fitted by the high-temperature Birch-Murnaghan equation of state to get thermoelastic properties as V 0 = 827.0(3) Å3, K T = 146.8(22) GPa, = 3.55(21), (∂ K T /∂ T)P = -0.037(2) GPa/K and α T = 7.67(20) × 10-5 - 3.20(30) × 10-8 T. Based on the results, the density profiles of low-pressure and high-pressure Ca2AlSiO5.5 oxygen defect perovskites were calculated and compared with those of some mantle silicate minerals to discuss the potential occurrence of Ca2AlSiO5.5 oxygen defect perovskite in the Earth's interior.

  10. Low-temperature heat capacities of CaAl2SiO6 glass and pyroxene and thermal expansion of CaAl2SiO6 pyroxene.

    USGS Publications Warehouse

    Haselton, H.T.; Hemingway, B.S.; Robie, R.A.

    1984-01-01

    Low-T heat capacities (5-380 K) have been measured by adiabatic calorimetry for synthetic CaAl2SiO6 glass and pyroxene. High-T unit cell parameters were measured for CaAl2SiO6 pyroxene by means of a Nonius Guinier-Lenne powder camera in order to determine the mean coefficient of thermal expansion in the T range 25-1200oC. -J.A.Z.

  11. Removal of Phosphorus in Silicon by the Formation of CaAl2Si2 Phase at the Solidification Interface

    NASA Astrophysics Data System (ADS)

    Sun, Liyuan; Wang, Zhi; Chen, Hang; Wang, Dong; Qian, Guoyu

    2017-02-01

    To fully understand the role of CaAl2Si2 phase in concentrating the non-metallic impurity phosphorus, an experiment of directional solidification of Al-70 at. pct Si alloy with extreme small lowering rate 0.05 mm min-1 was carried out. With good dynamic condition for the diffusion of impurity (Ca, Al, P) from silicon to the S/L interface, the CaAl2Si2 phase with 0.6-0.7 at. pct P was successfully observed by Electron Probe Micro Analyzer (EPMA), and its distribution character was originally presented. This impurity phase was widely detected in the refined sample but only at the interface of silicon crystal and Al-Si alloy which contributed to the deep removal of impurity P. The formation mechanism of CaAl2Si2-P phase was thus explored, in which the microsegregation and concentration of element P, Ca, Al in front of S/L interface were crucial. After acid leaching, the P content decreased from the original 23 ppm to below 5 ppm. Compared with normal solidification, a 16 pct higher removal efficiency of P was obtained in this study.

  12. Ag-Al-Ca

    NASA Astrophysics Data System (ADS)

    Carow-Watamura, U.; Louzguine, D. V.; Takeuchi, A.

    This document is part of Part 1 http://dx.doi.org/10.1007/97.etType="URL"/> 'Systems from Ag-Al-Ca to Au-Pd-Si' of Subvolume B 'Physical Properties of Ternary Amorphous Alloys' of Volume 37 'Phase Diagrams and Physical Properties of Nonequilibrium Alloys' of Landolt-Börnstein - Group III 'Condensed Matter'. It contains the Chapter 'Ag-Al-Ca' with the content:

  13. Dissolution of Al2TiO5 inclusions in CaO-SiO2-Al2O3 slags at 1823 K

    NASA Astrophysics Data System (ADS)

    Wang, De-Yong; Liu, Jun; Jiang, Mao-Fa; Tsukihashi, Fumitaka; Matsuura, Hiroyuki

    2011-12-01

    Al-Ti-O inclusions always clog submerged nozzles in Ti-bearing Al-killed steel. A typical synthesized Al2TiO5 inclusion was immersed in a CaO-SiO2-Al2O3 molten slag for different durations at 1823 K. The Al2TiO5 dissolution paths and mechanism were revealed by scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS). Decreased amounts of Ti and Al and increased amounts of Si and Ca at the dissolution boundary prove that inclusion dissolution and slag penetration simultaneously occur. SiO2 diffuses or penetrates the inclusion more quickly than CaO, as indicated by the w(CaO)/ w(SiO2) value in the reaction region. A liquid product (containing 0.7-1.2 w(CaO)/ w(SiO2), 15wt%-20wt% Al2O3, and 5wt%-15wt% TiO2) forms on the inclusion surface when Al2TiO5 is dissolved in the slag. Al2TiO5 initially dissolves faster than the diffusion rate of the liquid product toward the bulk slag. With increasing reaction time, the boundary reaches its largest distance, the Al2TiO5 dissolution rate equals the liquid product diffusion rate, and the dissolution process remains stable until the inclusion is completely dissolved.

  14. Effects of Al2O3 and CaO/SiO2 Ratio on Phase Equilbria in the ZnO-"FeO"-Al2O3-CaO-SiO2 System in Equilibrium with Metallic Iron

    NASA Astrophysics Data System (ADS)

    Zhao, Baojun; Hayes, Peter C.; Jak, Evgueni

    2011-02-01

    The phase equilibria and liquidus temperatures in the ZnO-"FeO"-Al2O3-CaO-SiO2 system in equilibrium with metallic iron have been determined experimentally in the temperature range 1383 K to 1573 K (1150 °C to 1300 °C). The experimental conditions were selected to characterize lead blast furnace and imperial smelting furnace slags. The results are presented in a form of pseudoternary sections ZnO-"FeO"-(Al2O3 + CaO + SiO2) with fixed CaO/SiO2 and (CaO + SiO2)/Al2O3 ratios. It was found that wustite and spinel are the major primary phases in the composition range investigated. Effects of Al2O3 concentration as well as the CaO/SiO2 ratio on the primary phase field, the liquidus temperature, and the partitioning of ZnO between liquid and solid phases have been discussed for zinc-containing slags.

  15. Effects of Ca Content on Formation and Photoluminescence Properties of CaAlSiN3:Eu2+ Phosphor by Combustion Synthesis

    PubMed Central

    Chung, Shyan-Lung; Huang, Shu-Chi

    2016-01-01

    Effects of Ca content (in the reactant mixture) on the formation and the photoluminescence properties of CaAlSiN3:Eu2+ phosphor (CASIN) were investigated by a combustion synthesis method. Ca, Al, Si, Eu2O3, NaN3, NH4Cl and Si3N4 powders were used as the starting materials and they were mixed and pressed into a compact which was then wrapped up with an igniting agent (i.e., Mg + Fe3O4). The compact was ignited by electrical heating under a N2 pressure of ≤1.0 MPa. By keeping the molar ratios of Al and Si (including the Si powder and the Si in Si3N4 powder) both at 1.00 and that of Eu2O3 at 0.02, XRD (X-ray diffraction) coupled with TEM-EDS (transmission electron microscope equipped with an energy-dispersive X-ray spectroscope) and SAED (selected area electron diffraction) measurements show that AlN:Eu2+ and Ca-α-SiAlON:Eu2+ are formed as the major phosphor products when the Ca molar ratio (denoted by Y) is equal to 0.25 and AlN:Eu2+ and Ca-α-SiAlON:Eu2+ could not be detected at Y ≥ 0.75 and ≥1.00, respectively. CASIN (i.e., CaAlSiN3:Eu2+) becomes the only phosphor product as Y is increased to 1.00 and higher. The extent of formation of CASIN increases with increasing Y up to 1.50 and begins to decrease as Y is further increased to 1.68. While the excitation wavelength regions are similar at various Y, the emission wavelength regions vary significantly as Y is increased from 0.25 to 1.00 due to different combinations of phosphor phases formed at different Y. The emission intensity of CASIN was found to vary with Y in a similar trend to its extent of formation. The Ca and Eu contents (expressed as molar ratios) in the synthesized products were found to increase roughly with increasing Y but were both lower than the respective Ca and Eu contents in the reactant mixtures. PMID:28773303

  16. Identical superconducting gap on different Fermi surfaces of Ca(Al0.5Si0.5)2 with the AlB2 structure

    NASA Astrophysics Data System (ADS)

    Tsuda, S.; Yokoya, T.; Shin, S.; Imai, M.; Hase, I.

    2004-03-01

    Angle-resolved photoemission spectroscopy of Ca(Al0.5Si0.5)2 (CaAlSi), which is a superconductor (transition temperature is 7.7 K) with the AlB2 structure, revealed that superconducting gaps on two Fermi surfaces (FSs) with three-dimensional character around Γ(A) and M(L) in the Brillouin zone provide essentially the same superconducting gap value (˜1.2 meV±0.2 meV). This is in contrast to the case of MgB2, in which different FSs exhibit different gap values. The reduced gap value 2Δ(0)/kBTc of ˜4.2±0.2 classifies CaAlSi as a moderately strong-coupling superconductor.

  17. Mg, Al, Si, Ca, Ti, Fe, and Ni abundance for a sample of solar analogues

    NASA Astrophysics Data System (ADS)

    López-Valdivia, Ricardo; Bertone, Emanuele; Chávez, Miguel

    2017-05-01

    We report on the determination of chemical abundances of 38 solar analogues, including 11 objects previously identified as super-metal-rich stars. We have measured the equivalent widths for 34 lines of 7 different chemical elements (Mg, Al, Si, Ca, Ti, Fe and Ni) in high-resolution (R ˜ 80 000) spectroscopic images, obtained at the Observatorio Astrofísico Guillermo Haro (Sonora, Mexico), with the Cananea High-resolution Spectrograph. We derived chemical abundances using atlas12 model atmospheres and the Fortran code moog. We confirmed the super-metallicity status of six solar analogues. Within our sample, BD+60 600 is the most metal rich star ([Fe/H] = +0.35 dex), while for HD 166991, we obtained the lowest iron abundance ([Fe/H] = -0.53 dex). We also computed the so-called [Ref] index for 25 of our solar analogues, and we found that BD+60 600 ([Ref] = +0.42) and BD+28 3198 ([Ref] = +0.34) are good targets for exoplanet search.

  18. Mg, Al, Si, Ca, Ti, Fe, and Ni abundance for a sample of solar analogues

    NASA Astrophysics Data System (ADS)

    López-Valdivia, Ricardo; Bertone, Emanuele; Chávez, Miguel

    2017-01-01

    We report on the determination of chemical abundances of 38 solar analogues, including 11 objects previously identified as super metal-rich stars. We have measured the equivalent widths for 34 lines of 7 different chemical elements (Mg, Al, Si, Ca, Ti, Fe, and Ni) in high-resolution (R ˜ 80 000) spectroscopic images, obtained at the Observatorio Astrofísico Guillermo Haro (Sonora, Mexico), with the Cananea High-resolution Spectrograph. We derived chemical abundances using ATLAS12 model atmospheres and the Fortran code MOOG. We confirmed the super metallicity status of 6 solar analogues. Within our sample, BD+60 600 is the most metal-rich star ([Fe/H]=+0.35 dex), while for HD 166991 we obtained the lowest iron abundance ([Fe/H]=-0.53 dex). We also computed the so-called [Ref] index for 25 of our solar analogues, and we found, that BD+60 600 ([Ref]=+0.42) and BD+28 3198 ([Ref]=+0.34) are good targets for exoplanet search.

  19. Czochralski growth of 2 in. Ca3Ta(Ga,Al)3Si2O14 single crystals for piezoelectric applications

    NASA Astrophysics Data System (ADS)

    Yoshikawa, Akira; Shoji, Yasuhiro; Ohashi, Yuji; Yokota, Yuui; Chani, Valery I.; Kitahara, Masanori; Kudo, Tetsuo; Kamada, Kei; Kurosawa, Shunsuke; Medvedev, Andrey; Kochurikhin, Vladimir

    2016-10-01

    Growth of 2-in. diameter Al-substituted Ca3TaGa3Si2O14 crystals by Czochralski method is reported. The crystals were grown from the melt of Ca3TaGa1.5Al1.5Si2O14 composition and had langasite structure. No inclusions of secondary phases were detected in these crystals. The Ca3Ta(Ga,Al)3Si2O14 mixed crystals produced using non-substituted Ca3TaGa3Si2O14 seeds were defective. They had cracks and/or poly-crystalline structure. However, those grown on the seed of approximately Ca3TaGa1.5Al1.5Si2O14 composition were defect-free. Phase diagram of the Ca3TaGa3Si2O14-Ca3TaAl3Si2O14 pseudo-binary system and segregation phenomenon are discussed in some details. Homogeneity of the crystals was evaluated by measuring 2D-mapping of leaky surface acoustic wave (LSAW) velocities for Y-cut Ca3TaGa1.5Al1.5Si2O14 substrate. Although some inhomogeneities were observed due to slight variations in chemical composition, the crystal had acceptable homogeneity for applications in acoustic wave devices exhibiting the LSAW velocity variation within ±0.048%.

  20. RE2MAl6Si4 (RE = Gd, Tb, Dy; M = Au, Pt): layered quaternary intermetallics featuring CaAl2Si2-type and YNiAl4Ge2-type slabs grown from aluminum flux.

    PubMed

    Latturner, Susan E; Bilc, Daniel; Mahanti, S D; Kanatzidis, Mercouri G

    2003-12-01

    Six new intermetallic aluminum silicides--Gd(2)PtAl(6)Si(4), Gd(2)AuAl(6)Si(4), Tb(2)PtAl(6)Si(4), Tb(2)AuAl(6)Si(4), Dy(2)PtAl(6)Si(4), and Dy(2)AuAl(6)Si(4)--have been obtained from reactions carried out in aluminum flux. The structure of these compounds was determined by single-crystal X-ray diffraction. They form in space group Rthremacr;m with cell constants of a = 4.1623(3) A and c = 51.048(5) A for the Gd(2)PtAl(6)Si(4) compound. The crystal structure is comprised of hexagonal nets of rare earth atoms alternating with two kinds of layers that have been observed in other multinary aluminide intermetallic compounds (CaAl(2)Si(2) and YNiAl(4)Ge(2)). All six RE(2)MAl(6)Si(4) compounds show antiferromagnetic transitions at low temperatures (T(N) < 20 K); magnetization studies of the Dy compounds show metamagnetic behavior with reorientation of spins at 6000 G. Band structure calculations indicate that the AlSi puckered hexagonal sheets in this structure are electronically distinct from the other surrounding structural motifs.

  1. Effect of Al2O3 Concentration on Density and Structure of (CaO-SiO2)-xAl2O3 Slag

    NASA Astrophysics Data System (ADS)

    Rajavaram, Ramaraghavulu; Kim, Hyelim; Lee, Chi-Hoon; Cho, Won-Seung; Lee, Chi-Hwan; Lee, Joonho

    2017-03-01

    The effect of Al2O3 concentration on the density and structure of CaO-SiO2-Al2O3 slag was investigated at multiple Al2O3 mole percentages and at a fixed CaO/SiO2 ratio of 1. The experiments were conducted in the temperature range of 2154 K to 2423 K (1881 °C to 2150 °C) using the aerodynamic levitation technique. In order to understand the relationship between density and structure, structural analysis of the silicate melts was carried out using Raman spectroscopy. The density of each slag sample investigated in this study decreased linearly with increasing temperature. When the Al2O3 content was less than 15 mole pct, density decreased with increasing Al2O3 content due to the coupling of Si (Al), whereas above 20 mole pct density of the slag increased due to the role of Al3+ ion as a network modifier.

  2. Effect of Al2O3 Concentration on Density and Structure of (CaO-SiO2)-xAl2O3 Slag

    NASA Astrophysics Data System (ADS)

    Rajavaram, Ramaraghavulu; Kim, Hyelim; Lee, Chi-Hoon; Cho, Won-Seung; Lee, Chi-Hwan; Lee, Joonho

    2017-06-01

    The effect of Al2O3 concentration on the density and structure of CaO-SiO2-Al2O3 slag was investigated at multiple Al2O3 mole percentages and at a fixed CaO/SiO2 ratio of 1. The experiments were conducted in the temperature range of 2154 K to 2423 K (1881 °C to 2150 °C) using the aerodynamic levitation technique. In order to understand the relationship between density and structure, structural analysis of the silicate melts was carried out using Raman spectroscopy. The density of each slag sample investigated in this study decreased linearly with increasing temperature. When the Al2O3 content was less than 15 mole pct, density decreased with increasing Al2O3 content due to the coupling of Si (Al), whereas above 20 mole pct density of the slag increased due to the role of Al3+ ion as a network modifier.

  3. Tb 3+-activated SiO 2-Al 2O 3-CaO-CaF 2 oxyfluoride scintillating glass ceramics

    NASA Astrophysics Data System (ADS)

    Sun, Xin-yuan; Huang, Shi-ming

    2010-09-01

    In this paper, transparent glass ceramics containing CaF 2 nanocrystals were synthesized by heat-treating as-made Tb 3+/Gd 3+-codoped 45SiO 2-20Al 2O 3-10CaO-25CaF 2 oxyfluoride glass. The precipitated crystalline phase in the glass ceramics is CaF 2 nanocrystals identified by X-ray diffraction (XRD) patterns. Both photoluminescence (PL) and X-ray excited luminescence (XEL) results show that enhancement of Tb 3+ 542 nm emission intensity by a factor of about 2-3 is achieved in glass ceramics with respect to the as-made glass. XEL intensity of the investigated glass ceramics is comparable to that of the commercial glass sciltillatior (LHK-6 type), which suggests its potential for scintillation application.

  4. Estimating the dopant distribution in Ca-doped α-SiAlON: statistical HAADF-STEM analysis and large-scale atomic modeling.

    PubMed

    Sakaguchi, Norihito; Yamaki, Fuuta; Saito, Genki; Kunisada, Yuji

    2016-10-01

    We investigated the dopant distribution in Ca-doped α-SiAlON by using high-angle annular dark-field scanning transmission electron microscopy and a multi-slice image simulation. Our results showed that the electron wave propagated by hopping to adjacent Si(Al) and N(O) columns. The image intensities of the Ca columns had wider dispersions than other columns. To estimate the Ca distribution in the bulk material, we performed a Monte Carlo atomic simulation of the α-SiAlON with Ca dopants. A model including a short-range Coulomb-like repulsive force between adjacent Ca atoms reproduced the dispersion of the intensity distribution of the Ca column in the experimental image. © The Author 2016. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  5. Effects of CaO/SiO2 Ratio and Na2O Content on Melting Properties and Viscosity of SiO2-CaO-Al2O3-B2O3-Na2O Mold Fluxes

    NASA Astrophysics Data System (ADS)

    Wang, Lin; Zhang, Chen; Cai, Dexiang; Zhang, Jianqiang; Sasaki, Yasushi; Ostrovski, Oleg

    2017-02-01

    This paper investigated the effects of CaO/SiO2 ratio (0.8 to 1.5) and Na2O concentration (6 to 9 wt pct) on melting properties and viscosity of SiO2-CaO-Al2O3-B2O3-Na2O mold fluxes with a fixed B2O3 content. Melting properties of fluxes (softening temperature T s, hemispherical temperature T h, and fluidity temperature T f) were determined by the hot-stage microscopy method. Viscosity was measured using rotating cylindrical viscometer, and structure of quenched fluxes was studied using Raman spectroscopy. Equilibrium phases in the SiO2-CaO-Al2O3-B2O3-Na2O system were calculated using FactSage. It was found that T h decreased with increasing CaO/SiO2 ratio from 0.8 to 1.0 and increased with a further increase in the CaO/SiO2 ratio to 1.5. The effect of Na2O content in the range of 6 to 9 wt pct on T h of the flux with a fixed CaO/SiO2 ratio at 1.3 was marginal. Increasing CaO/SiO2 ratio and Na2O content increased the break temperature and reduced the value of viscosity at 1673 K (1400 °C). Viscosity of liquid fluxes was discussed in the relationship with the flux structure. Melting properties and viscosity of boracic fluxes were compared with those of industrial fluorine-containing mold fluxes.

  6. Calcium aluminate silicate Ca2Al2SiO7 single crystal applicable to piezoelectric sensors at high temperature

    NASA Astrophysics Data System (ADS)

    Takeda, Hiroaki; Hagiwara, Manabu; Noguchi, Hiroaki; Hoshina, Takuya; Takahashi, Tomoko; Kodama, Nobuhiro; Tsurumi, Takaaki

    2013-06-01

    Ca2Al2SiO7 (CAS) bulk single crystals were grown by the Czochralski method. Material constants of the crystal were determined over the driving temperature range of a typical combustion pressure sensor. The electrical resistivity at 800 °C was found to be of the order of 108 Ωcm. We constructed a measurement system for the direct piezoelectric effect at high temperature, and characterized the crystals in a simulated engine cylinder combustion environment. Output charge signal against applied stress was detected at 700 °C. These observations suggest that CAS crystals are superior candidate materials for high temperature for stress sensing.

  7. 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.

  8. Interaction of the oxyfluoride melts of Ca, Al, Mg, Si, Ba, and Cr with refractories based on alumina and magnesia

    NASA Astrophysics Data System (ADS)

    Burtsev, V. T.; Serov, G. V.

    2009-04-01

    The interaction of slags consisting of the oxides and fluorides of Ca, Al, Mg, Si, Ba, and Cr with refractories based on Al2O3, MgO, and MgO · Al2O3 is experimentally studied at 1600-1700°C and p Ar = 0.3 MPa. Laser emission microprobe analysis is used to study the fracture surfaces in the slag-crucible contact zone, to analyze the depth profile of the chromium concentration in the bulk of the refractory material, and to determine the diffusion coefficient of chromium. The values of the diffusion coefficient are related to the slag melt composition. These relations are established using the optical basicity of the slag.

  9. Surface modification of Ca-α-SiAlON: Eu2+ phosphor particles by SiO2 coating and fabrication of its deposit by electrophoretic deposition (EPD) process

    NASA Astrophysics Data System (ADS)

    Zhang, Chenning; Uchikoshi, Tetsuo; Kitabatake, Takuya; Sakka, Yoshio; Hirosaki, Naoto

    2013-09-01

    Ca-α-SiAlON: Eu2+ phosphor powder was modified with a SiO2 coating by the adsorption, hydrolysis, and polymerization of the TEOS precursor. Through the modification for the surface defects of the particles by the SiO2 coating, the photoluminescence (PL) emission could be significantly strengthened in the SiO2-coated Ca-α-SiAlON: Eu2+ powder. The electrophoretic deposition (EPD) technique was employed to fabricate the deposit layer on ITO glass using the SiO2 coated phosphor powder. The prepared deposit exhibited a uniform surface morphology with strong adhesion to the substrate. The SiO2-coated Ca-α-SiAlON: Eu2+ powder indicates a potential application when used in pseudo white light-emitting diodes (LEDs) devices.

  10. Activities of FetO in CaO-Al2O3-SiO2-FetO (<5 pct) slags saturated with liquid iron

    NASA Astrophysics Data System (ADS)

    Lee, Kwang Ro; Suito, Hideaki

    1994-12-01

    The activity coefficients of FetO in CaO-Al2O3 and CaO-Al2O3-SiO2 slags with 0.01 to 5 mass pct FetO were determined at 1873 K from the data obtained in the present and previous slag-metal experiments, using an alumina or lime crucible. It was found that the activity coefficients of FetO obeyed a dilute solution law and increased with increasing the content of SiO2. Based on the findings pertaining to the activity coefficient, the values for the activities of SiO2 and Al2O3 in CaO-Al2O3-SiO2 slags were assessed.

  11. Effect of SiO2 on the Crystallization Behaviors and In-Mold Performance of CaF2-CaO-Al2O3 Slags for Drawing-Ingot-Type Electroslag Remelting

    NASA Astrophysics Data System (ADS)

    Shi, Cheng-Bin; Li, Jing; Cho, Jung-Wook; Jiang, Fang; Jung, In-Ho

    2015-10-01

    The crystallization characteristics of CaF2-CaO-Al2O3 slags with varying amounts of SiO2 were experimentally studied. The effects of slag crystallization behaviors on the horizontal heat transfer and lubrication performance in drawing-ingot-type electroslag remelting (ESR) were also evaluated in terms of as-cast ingots surface quality and drawing-ingot operation. The results show that increasing SiO2 addition from 0 to 6.8 mass pct strongly suppresses the crystallization of ESR type CaF2-CaO-Al2O3 slags. The crystallization temperature of the studied slags decreases with the increase in SiO2 addition. The liquidus temperatures of the slags also show a decreasing trend with increasing SiO2 content. In CaF2-CaO-Al2O3-(SiO2) slags, faceted 11CaO·7Al2O3·CaF2 crystals precipitate first during continuous cooling of the slag melts, followed by the formation of CaF2 at lower temperatures. 11CaO·7Al2O3·CaF2 was confirmed to be the dominant crystalline phase in the studied slags. CaF2-CaO-Al2O3 slags with a small amount of SiO2 addition are favorable for providing sound lubrication and horizontal heat transfer in mold for drawing-ingot-type ESR, which consequently bring the improvement in the surface quality of ESR ingot and drawing-ingot operating practice as demonstrated by plant trials.

  12. Phase Equilibria in the System "FeO"-CaO-SiO2-Al2O3-MgO at Different CaO/SiO2 Ratios

    NASA Astrophysics Data System (ADS)

    Jang, Kyoung-oh; Ma, Xiaodong; Zhu, Jinming; Xu, Haifa; Wang, Geoff; Zhao, Baojun

    2017-06-01

    The "FeO"-containing slags play an important role in the operation of an ironmaking blast furnace (BF), in particular the primary slags such as the system "FeO"-CaO-SiO2-Al2O3-2 mass pct MgO with CaO/SiO2 weight ratios of 1.3, 1.5, and 1.8 saturated with metallic iron. To investigate the characteristics of such a slag system and its behavior in BF, the phase equilibria and liquidus temperatures in the slag system have been experimentally determined using the high-temperature equilibration and quenching technique followed by an electron probe X-ray microanalysis (EPMA). Isotherms between 1553 K and 1603 K (1280 °C and 1330 °C) were determined in the primary phase fields of dicalcium silicate, melilite, spinel, and monoxide [(Mg,Fe2+)O]. Pseudo-ternary phase diagrams of (CaO + SiO2)-Al2O3-"FeO" with a fixed MgO concentration at 2 mass pct and at CaO/SiO2 ratios of 1.3, 1.5, and 1.8 have been discussed, respectively, simplifying the complexity of the slag system for easy understanding and applying in BF operation. It was found that the liquidus temperatures increase in melilite and spinel primary phase fields, but decrease in dicalcium silicate and monoxide primary phase fields with increasing Al2O3/(CaO + SiO2) ratio. In addition, the liquidus temperatures decrease with increasing "FeO" concentration in dicalcium silicate and melilite primary phase fields, while showing an increasing trend in the spinel and monoxide primary phase fields. The data resulted from this study can be used to improve and optimize currently available database of thermodynamic models used in FactSage.

  13. Phase Equilibria in the System "FeO"-CaO-SiO2-Al2O3-MgO at Different CaO/SiO2 Ratios

    NASA Astrophysics Data System (ADS)

    Jang, Kyoung-oh; Ma, Xiaodong; Zhu, Jinming; Xu, Haifa; Wang, Geoff; Zhao, Baojun

    2017-03-01

    The "FeO"-containing slags play an important role in the operation of an ironmaking blast furnace (BF), in particular the primary slags such as the system "FeO"-CaO-SiO2-Al2O3-2 mass pct MgO with CaO/SiO2 weight ratios of 1.3, 1.5, and 1.8 saturated with metallic iron. To investigate the characteristics of such a slag system and its behavior in BF, the phase equilibria and liquidus temperatures in the slag system have been experimentally determined using the high-temperature equilibration and quenching technique followed by an electron probe X-ray microanalysis (EPMA). Isotherms between 1553 K and 1603 K (1280 °C and 1330 °C) were determined in the primary phase fields of dicalcium silicate, melilite, spinel, and monoxide [(Mg,Fe2+)O]. Pseudo-ternary phase diagrams of (CaO + SiO2)-Al2O3-"FeO" with a fixed MgO concentration at 2 mass pct and at CaO/SiO2 ratios of 1.3, 1.5, and 1.8 have been discussed, respectively, simplifying the complexity of the slag system for easy understanding and applying in BF operation. It was found that the liquidus temperatures increase in melilite and spinel primary phase fields, but decrease in dicalcium silicate and monoxide primary phase fields with increasing Al2O3/(CaO + SiO2) ratio. In addition, the liquidus temperatures decrease with increasing "FeO" concentration in dicalcium silicate and melilite primary phase fields, while showing an increasing trend in the spinel and monoxide primary phase fields. The data resulted from this study can be used to improve and optimize currently available database of thermodynamic models used in FactSage.

  14. Crystallization paths in SiO2-Al2O3-CaO system as a genotype of silicate materials

    NASA Astrophysics Data System (ADS)

    Lutsyk, V. I.; Zelenaya, A. E.

    2013-12-01

    The phases trajectories in the fields of primary crystallization of cristobalite (SiO2cr), tridymite (SiO2tr), mullite (3Al2O3-2SiO2) and in a field of liquid immiscibility are analyzed on a basis of computer model for T-x-y diagram of SiO2-Al2O3-CaO system. The concentration fields with unique set of microconstituents and the fields without individual crystallization schemes and microconstituents are revealed.

  15. Formation Mechanism of CaO-SiO2-Al2O3-(MgO) Inclusions in Si-Mn-Killed Steel with Limited Aluminum Content During the Low Basicity Slag Refining

    NASA Astrophysics Data System (ADS)

    Wang, Kunpeng; Jiang, Min; Wang, Xinhua; Wang, Ying; Zhao, Haoqian; Cao, Zhanmin

    2016-02-01

    Pilot trails were carried out to study the formation mechanism of CaO-SiO2-Al2O3-(MgO) inclusions in tire cord steel. 48 samples were taken from 8 heats of liquid steel during secondary refining, which were subsequently examined by an automatic scanning electron microscope with energy dispersive spectrometer (SEM-EDS). Characteristics of thousands of oxide inclusions at different refining stages were obtained, including their compositions, sizes, morphologies, etc. Based on the obtained information of inclusions, details during formation of CaO-SiO2-Al2O3-(MgO) inclusions were revealed and a new mechanism was proposed, including their origin, formation, and evolution during the refining process. It was found that CaO-SiO2-Al2O3-(MgO) inclusions were initially originated from the CaO-SiO2-MnO-(MgO) inclusions, which were formed during BOF tapping by the coalescence between MnO-SiO2 deoxidation products and the emulsified slag particles because of violent flow of steel. This can be well confirmed by the evaluation of the formation thermodynamics of CaO-SiO2-MnO-(MgO) inclusions, which was proved very difficult to be produced by intrinsic reactions inside liquid steel. Because of chemical reactions between CaO-SiO2-MnO-(MgO) inclusions and molten steel, they were mainly changed into CaO-SiO2-MnO-Al2O3-(MgO) and partially into CaO-SiO2-Al2O3-(MgO), which may be detrimental to the cold drawing ability of coils. Based on this finding, improvements were made in industrial production during BOF tapping and secondary refining. The results indicated that such (CaO-SiO2)-based inclusions existed in conventional process were effectively decreased after the improvements.

  16. Mixing Properties of CaMgSi2O6-KAlSi2O6-NaAlSi2O6 Clinopyroxenes Determined From Static Lattice Energy Minimization Calculations

    NASA Astrophysics Data System (ADS)

    Vinograd, V. L.; Safonov, O. G.; Winkler, B.

    2004-05-01

    Recent experimental studies (Chudinovskikh et al., 2001; Safonov et al., 2003) have shown that under pressures of 7-10 GPa clinopyroxen can contain up to 25 % of KAlSi2O6. This suggested that K-Cpx could be a major host of K in the upper mantle. Low K2O content of clinopyroxens of crustal origin could possibly be attributed to the instability of K-rich pyroxens with respect to other K-bearing phases. Thermodynamic calculations of phase equilibria in K-bearing systems require the knowledge of mixing properties of K-bearing pyroxens and standard properties of KAlSi2O6-Cpx. Here we report on our preliminary results of static lattice energy minimization calculations of the required thermodynamic parameters using the program GULP (Gale, 1997). We developed a new self-consistent set of interatomic potentials, which permitted us to accurately reproduce structural and elastic properties of major phases in the system K-Na-Ca-Mg-Al-Si-O and to predict the properties of the unknown KAlSi2O6 phase. It appears that the structural constants of this phase are close to those of diopside, while its elastic and thermodynamic properties are close to those of jadeite. The mixing properties of the disordered KAlSi2O6-CaMgSi2O6 solid solution we estimated using the supercell method: In the supercell of diopside containing 16 Ca and 16 Mg atoms we replaced randomly one Ca and one Mg with K and Al, respectively and calculated the increase in the lattice energy. Similar calculations have been done with the supercell containig 16 K and 16 Al atoms. These calculations permitted us to estimate Margules parameters of the subregular model of mixing (WK-cpx = 29.4, WDi = 26.5 kJ/mole) using the method of Sluiter and Kawazoe (2002). The analogous calculations for NaAlSi2O6-CaMgSi2O6 gave WJad = 41.85 and WDi = 39.86 kJ/mole. The latter numbers compare well with the Margules parameters derived by Wood et al. (1980) from calorimetric data. Thus, it appears that the KAlSi2O6 end member is able to

  17. Evolution of Inclusions in Fe-13Cr Treated by CaO-SiO2-Al2O3-Based Top Slag

    NASA Astrophysics Data System (ADS)

    Wang, Qi; Wang, Lijun; Zhai, Jun; Li, Jianmin; Chou, Kuo-Chih

    2017-02-01

    Experiments were carried out to determine the effect of Al2O3 in the slag of the CaO-SiO2-Al2O3-MgO-CaF2 system on the cleanness of Fe-13Cr stainless steel deoxidized by ferrosilicon. Increasing the Al2O3 content in basicity = 2.28 slag can reduce the usage of CaF2 and benefit the obtainment of a good kinetic condition for inclusion removal, but over 21 pct would lead to a higher total oxygen content in the melt and make the inclusion composition more complex. It is found that increasing basicity in 16 pct Al2O3 slag would have a good deoxidation ability and accelerate the transformation from high Al2O3 inclusions to low melting point CaO-Al2O3-SiO2-MgO system inclusions, but basicity over 2.58 would lead to high content of [Al] in liquid steel, which would promote the formation of MgO-Al2O3 inclusions. Therefore, it is not suitable to add a high content of Al2O3 into high-basicity slag. Adding Al2O3 into slag of 2.28 in basicity until a content of 16 pct could achieve inclusion plastication within 45 minutes without Ca treatment, which has potential application in industrial production.

  18. Enhanced Emission from Li2CaSiO4:Dy3+ Phosphors by Doping with Al3+ and B3+

    NASA Astrophysics Data System (ADS)

    Erdoğmuş, E.

    2016-05-01

    Pure Li2CaSiO4, Li2CaSiO4:Dy3+ and Al3+, B3+ co-doped materials were prepared by a solid-state reaction in air at 900°C for 6 h and characterized by using powder XRD. The luminescence properties of the synthesized phosphors were measured at room temperature with a spectrofluorometer. Li2CaSiO4:Dy3+ emits at 484, 575, and 660 nm upon 352 nm excitation. The emission spectrum intensity of Dy3+ increased from 0.01 to 0.06 mol.%, and beyond 0.06 mol.%, concentration quenching was observed. Also, in this study, the effects of boric acid and aluminum oxide concentration on the photoluminescence properties of Dy3+ doped phosphors were investigated. The results showed that boric acid and aluminum oxide were effective in improving the photoluminescence intensity of Li2CaSiO4:Dy3+ compounds.

  19. Effect of Al2O3 on the Viscosity and Structure of CaO-SiO2-MgO-Al2O3-FetO Slags

    NASA Astrophysics Data System (ADS)

    Wang, Zhanjun; Sun, Yongqi; Sridhar, Seetharaman; Zhang, Mei; Guo, Min; Zhang, Zuotai

    2015-04-01

    The present paper provided a fundamental investigation on the effect of Al2O3 on the viscosity and structure of CaO-SiO2-MgO-Al2O3-FetO slags for the purpose of efficiently recycling the valuable elements from the steelmaking slags. The results show that the viscosity of CaO-SiO2-Al2O3-MgO-FetO slags slightly increases with increasing Al2O3 content. The degree of the polymerization (DOP) of quenched slags, determined from Raman spectra and magic angle spinning-nuclear magnetic resonance, is also found to increase with increasing Al2O3 content. It can be deduced that the increasing DOP can promote the formation of gehlenite phase (Ca2Al2SiO7), thus facilitating the formation of higher phosphorous (or vanadium) contained solid solution ( n'Ca2SiO4·Ca3((P or V)O4)2). As Al2O3 content increases up to a specific value, the charge compensating ions which present near [AlO4]-tetrahedra and [FeO4]-tetrahedra are not fully supplied due to the scarcity of Ca2+. In this case, the existing Fe3+ in the melt cannot completely form [FeO4]-tetrahedra and part of Fe3+ would form [FeO6]-octahedra to substitute Ca2+ to modify the slags.

  20. Super Smooth Modification of Al2O3 Ceramic Substrate by High Temperature Glaze of CaO-Al2O3-SiO2 System

    NASA Astrophysics Data System (ADS)

    Zhang, Jihua; Zhen, Shanxue; Yang, Lijun; Lou, Feizhi; Chen, Hongwei; Yang, Chuanren

    2011-01-01

    The rough surface of ceramic substrate is an obstacle for the scale down of line-width for thin film passive integrated devices (PID). In this paper, a modification method for Al2O3 ceramic substrate with super smooth in surface was proposed. Coating a layer of CaO-Al2O3-SiO2 (CAS) glass was performed to flat the rough surface of alumina substrate by sol-gel method. It was found that addition of 0.06% V2O5 can inhibit the recrystallization of the glaze. The root-mean-square (RMS) roughness of the glazed substrates reached a surprising flatness as small as 0.5 nm, and its melting temperature is higher than 1300 °C. This substrate with super flatness and high temperature endurance may be promising for high performance thin film devices.

  1. Tululite, Ca14(Fe3+,Al)(Al,Zn,Fe3+,Si,P,Mn,Mg)15O36: a new Ca zincate-aluminate from combustion metamorphic marbles, central Jordan

    NASA Astrophysics Data System (ADS)

    Khoury, Hani N.; Sokol, Ella V.; Kokh, Svetlana N.; Seryotkin, Yurii V.; Nigmatulina, Elena N.; Goryainov, Sergei V.; Belogub, Elena V.; Clark, Ian D.

    2016-02-01

    Tululite (Ca14(Fe3+,Al)(Al,Zn,Fe3+,Si,P,Mn,Mg)15O36 (the hypothetical end-member formula Ca14{Fe3+O6}[SiO4][Zn5Al9]O26) (IMA2014-065) is a new natural Ca zincate-aluminate, identified in medium-temperature (800-850 °C) combustion metamorphic (CM) spurrite-fluorellestadite marbles from central Jordan. The type locality (Tulul Al Hammam area) is situated in the northern part of the Siwaqa complex, the largest area of the "Mottled Zone" Formation in the Dead Sea region. The marbles originated from bitumen-rich chalky marine sediments of the Maastrichtian-Paleogene Muwaqqar Chalk Marl Formation, which have low clay content (and, consequently, low Al) and high Zn, Cd, and U enrichments. The bulk CM rocks derived from the low-Al protolith have unusually high (Zn + Cd)/Al ratios ( 0.2) and, as a result, a mineralogy with negligibly small percentages of Ca aluminates having low Ca:Al molar ratios (minerals of mayenite supergroup, Ca:Al = 6:7) common to most of calcareous CM rocks in the Mottled Zone. Instead, the mineral assemblage of the Zn-rich marbles contains tululite, with high Ca:Al = 2.55 molar ratios and Zn substituting for a large portion of Al (Zn:Al = 1.1). Tululite occurs in thin clusters as irregular grains with indented outlines (20-100 μm in size), having typical open-work textures associated with rock-forming calcite, fluorellestadite, spurrite, and accessory Zn-rich periclase, lime-monteponite solid solutions, calcium uranates, and zincite. Marbles also bear brownmillerite, dorrite, fluormayenite, high-fluorine Ca aluminate, and lakargiite. Secondary phases are brucite, gel-like calcium silicate hydrates and calcium silicate aluminate hydrates, including Zn- and U-bearing and Cd-rich compounds, Si-bearing hydrated compounds after calcium uranates, and basic Cd chlorides. The empirical formula of the holotype tululite (a mean of 32 analyses) is (Ca13.29Cd0.75)Σ14.04(Al5.46Zn5.20Fe3+ 2.23Si0.95Mn3+ 1.01Mg0.78P0.41)Σ16.04O36. Tululite is cubic, space

  2. An SEM, EDS and vibrational spectroscopic study of the silicate mineral meliphanite (Ca,Na)2Be[(Si,Al)2O6(F,OH)

    NASA Astrophysics Data System (ADS)

    Frost, Ray L.; López, Andrés; Theiss, Frederick L.; Romano, Antônio Wilson; Scholz, Ricardo

    2015-02-01

    The mineral meliphanite (Ca,Na)2Be[(Si,Al)2O6(F,OH)] is a crystalline sodium calcium beryllium silicate which has the potential to be used as piezoelectric material and for other ferroelectric applications. The mineral has been characterized by a combination of scanning electron microscopy (SEM) with energy dispersive spectroscopy (EDS) and vibrational spectroscopy. EDS analysis shows a material with high concentrations of Si and Ca and low amounts of Na, Al and F. Beryllium was not detected. Raman bands at 1016 and 1050 cm-1 are assigned to the SiO and AlOH stretching vibrations of three dimensional siloxane units. The infrared spectrum of meliphanite is very broad in comparison with the Raman spectrum. Raman bands at 472 and 510 cm-1 are assigned to OSiO bending modes. Raman spectroscopy identifies bands in the OH stretching region. Raman spectroscopy with complimentary infrared spectroscopy enables the characterization of the silicate mineral meliphanite.

  3. Effects of SiO2 substitution on wettability of laser deposited Ca-P biocoating on Ti-6Al-4V.

    PubMed

    Yang, Yuling; Paital, Sameer R; Dahotre, Narendra B

    2010-09-01

    Silicon (Si) substitution in the crystal structure of calcium phosphate (CaP) ceramics has proved to generate materials with improved bioactivity than their stoichiometric counterpart. In light of this, in the current work, 100 wt% hydroxyapatite (HA) precursor and 25 wt% SiO(2)-HA precursors were used to prepare bioactive coatings on Ti-6Al-4V substrates by a laser cladding technique. The effects of SiO(2) on phase constituents, crystallite size, surface roughness, and surface energy of the CaP coatings were studied. Furthermore, on the basis of these results, the effects and roles of SiO(2) substitution in HA were systematically discussed. X-ray diffraction analysis of the coated samples indicated the presence of various phases such as CaTiO(3), Ca(2)SiO(4), Ca(3)(PO(4))(2), TiO(2) (Anatase), and TiO(2) (Rutile). The addition of SiO(2) in the HA precursor resulted in the refinement of grain size. Confocal laser microscopy characterization of the surface morphology demonstrated an improved surface roughness for samples with 25 wt% SiO(2)-HA precursor compared to the samples with 100 wt% HA precursor processed at 125 cm/min laser speed. The addition of SiO(2) in the HA precursor resulted in the highest surface energy, increased hydrophilicity, and improved biomineralization as compared to the control (untreated Ti-6Al-4V) and the sample with 100 wt% HA as precursor. The microstructural evolution observed using a scanning electron microscopy indicated that the addition of SiO(2) in the HA precursor resulted in the presence of reduced cracking across the cross-section of the bioceramic coating.

  4. Distribution of cations at two tetrahedral sites in Ca2MgSi2O7-Ca2Fe3+AlSiO7 series synthetic melilite and its relation to incommensurate structure

    NASA Astrophysics Data System (ADS)

    Hamada, Maki; Akasaka, Masahide

    2013-03-01

    Synthetic melilites on the join Ca2MgSi2O7 (åkermanite: Ak)-Ca2Fe3+AlSiO7 (ferrialuminium gehlenite: FAGeh) were studied using X-ray powder diffraction and 57Fe Mössbauer spectroscopic methods to determine the distribution of Fe3+ between two different tetrahedral sites (T1 and T2), and the relationship between ionic substitution and incommensurate (IC) structure. Melilites were synthesized from starting materials with compositions of Ak100, Ak80FAGeh20, Ak70FAGeh30 and Ak50FAGeh50 by sintering at 1,170-1,350 °C and 1 atm. The average chemical compositions and end-member components, Ak, FAGeh and Geh (Ca2Al2SiO7), of the synthetic melilites were Ca2.015Mg1.023Si1.981O7 (Ak100), Ca2.017Mg0.788Fe{0.187/3+}Al0.221Si1.791O7 (Ak78FAGeh19Geh3), Ca1.995Mg0.695Fe{0.258/3+}Al0.318Si1.723O7 (Ak69FAGeh25Geh6) and Ca1.982Mg0.495Fe{0.449/3+}Al0.519Si1.535O7 (Ak49FAGeh44Geh7), respectively. Rietveld refinements using X-ray powder diffraction data measured using Cu K α -radiation at room temperature converged successfully with goodness-of-fits of 1.15-1.26. The refined Fe occupancies at the T1 and T2 sites and the Mg and Si contents determined by electron microprobe analysis gave the site populations of [0.788Mg + 0.082Fe3+ + 0.130Al]T1[0.104Fe3+ + 0.104Al + 1.792Si]T2 for Ak78FAGeh19Geh3, [0.695Mg + 0.127Fe3+ + 0.178Al]T1[0.132Fe3+ + 0.144Al + 1.724Si]T2 for Ak69FAGeh25Geh6 and [0.495Mg + 0.202Fe3+ + 0.303Al]T1[0.248Fe3+ + 0.216Al + 1.536Si]T2 for Ak49FAGeh44Geh7 (apfu: atoms per formula unit), respectively. The results indicate that Fe3+ is distributed at both the T1 and the T2 sites. The mean T1-O distance decreases with the substitution of Fe3+ + Al3+ for Mg2+ at the T1 site, whereas the mean T2-O distance increases with substitution of Fe3+ + Al3+ for Si4+ at the T2 site, causing decrease in the a dimension and increase in the c dimension. However, in spite of the successful Rietveld refinements for the X-ray powder diffraction data measured using Cu K α-radiation at

  5. Single-crystal Elasticity of Zoisite Ca2Al3Si3O12(OH) by Brillouin Scattering

    NASA Astrophysics Data System (ADS)

    Mao, Z.; Jiang, F.; Duffy, T. S.

    2005-12-01

    Zoisite, Ca 2Al3Si3O12(OH), is an important metamorphic mineral and one of the main H2O-containing phases minerals in subduction zones. Experiments in basaltic compositions have shown that zoisite can remain stable to pressures of ~3.1 GPa at 650°C (Forneris and Holloway, 2003), and it is stable to ~7 GPa and 1000°C in the calcium-aluminum-silicon-hydrogen system (Poli et al, 1998). The bulk modulus of zoisite was measured by X-ray diffraction in both multi-anvil apparatus and diamond anvil cells (Holland et al, 1996; Comodi et al, 1997; Pawley et al, 1998; Grevel et al, 2000). However, existing results show large discrepancies. That cannot be explained by presence of small amounts of Fe. In order to provide reliable elastic moduli, the single-crystal elastic constants of zoisite were determined by Brillouin spectroscopy. Three platelets were cut from a gem-quality zoisite sample. Single-crystal x-ray diffraction was performed at x17C of Brookhaven National Laboratory. The lattice parameters are a=16.207(5), b=5.540(5), c=10.056(2) Å with a calculated density 3.343(3)g/cm3. The Brillouin spectra were recorded in a forward scattering geometry at ambient conditions. Measurements were made in a total of 37 directions in each plane. The data were inverted for 9 elastic tensor components and 9 crystal orientation parameters. The single crystal elastic tensor constants C11, C12, C13, C22, C23, C33, C44, C55, C66 are 279.1(8), 95.1(18), 91.3(16), 249.3(8), 30.9(8), 216.5(8), 51.6(4), 80.2(4), 65.9(3)GPa respectively. The resulting bounds on the adiabatic bulk and shear moduli are 127.9(4) and 72.6(2)GPa respectively. Our results are generally consistent with previous static compression studies although we obtain higher c axis compressibility than some X-ray studies. Compared with the elastic moduli of lawsonite, zoisite has a similar bulk modulus (~125 GPa), but a 30% larger shear modulus than lawsonite (~52 GPa) (Sinogeikin et al, 2000). The VP/VS ratio is 1.76 for

  6. Ca-α-SiAlON:Eu Phosphors: Oxidation States, Energy Transfer, and Emission Enhancement by Incorporation-Aimed Surface Engineering.

    PubMed

    Chen, Xiangyang; Gan, Lin; Zhang, Zhijun; Lu, Ping; Zeng, Xionghui; Zhang, Linlin; Yao, Heliang; Xu, Fangfang; Zhao, Jingtai

    2017-09-13

    Ca-α-SiAlON:Eu is one of the most promising phosphors exhibiting potential applications in high power LEDs owing to its excellent thermal stability and relatively high luminescence efficiency comparable to YAG:Ce commercial phosphors. The oxidation states of Eu ions in Ca-α-SiAlON:Eu are still questionable, and furthermore it exhibits lower luminescence intensity than commercial yellow phosphors. Therefore, in the present work, the valences of Eu ions in Ca-α-SiAlON have been examined, from which a mixture of divalence and trivalence is observed. Further improvement in emission intensity involves finding a way to increase the incorporation of larger Eu ions into the Ca-α-SiAlON. Here, we observed preferred doping of Eu around phosphor grain surface and then propose a surface engineering strategy involving HF pickling of glassy surface layer, formation of Eu-rich precursors, and finally post-annealing, aiming to increase surface incorporation of Eu ions. The surface engineered samples exhibit great enhancement in emission intensity with a maximum increment by 80%.

  7. Molecular dynamics study of the structures and bulk moduli of crystals in the system CaO-MgO-Al2O3-SiO2

    NASA Astrophysics Data System (ADS)

    Matsui, Masanori

    1996-08-01

    Molecular dynamics (MD) simulations have been used to calculate the structures and bulk moduli of crystals in the system CaO-MgO-Al2O3-SiO2 (CMAS) using an interatomic potential model (CMAS94), which is composed of pairwise additive Coulomb, van der Waals, and repulsive interactions. The crystals studied, total of 27, include oxides, Mg meta- and ortho-silicates, Al garnets, and various Ca or Al bearing silicates, with the coordination number of cations ranging 6 to 12 for Ca, 4 to 12 for Mg, 4 to 6 for Al, and 4 and 6 for Si. In spite of the simplicity of the CMAS94 potential and the diversity of the structural types treated, MD simulations are quite satisfactory in reproducing well the observed structural data, including the crystal symmetries, lattice parameters, and average and individual nearest neighbour Ca-O, Mg-O, Al-O, and Si-O distances. In addition MD simulated bulk moduli of crystals in the CMAS system compare well with the observed values.

  8. [Research on the Relationship between Surface Structure and Fluorescence Intensity of Ca(1-x)Al2Si2O8 : Eu(x)].

    PubMed

    He, Xiao; Zhang, Li-sheng; Zu, En-dong; Yang, Xiao-yun; Dong, Kun

    2016-01-01

    Ca(1-x)Al2Si2O8 : Eu(x)(x = 0, 0.01, 0.05, 0.15) were synthesized by solid-state reaction respectively at 1 150, 1 250 1350 and 1 450 degrees C. With X-ray diffraction(XRD), Raman spectroscopy(Raman), photoluminescence spectroscopy(PL) and X-ray fluorescence spectrometer(XRF), the relationship between surface structure and fluorescence intensity of Ca(1-x) Al2Si2O8: Eu(x) were studied. XRD and Raman results show that, CaAl2Si2O8 anorthite single-phase has formed gradually along with the temperature rising in the process of synthesis. Raman spectroscopy is clear that when the Eu doping amount is the same, Si-O amorphous phase disappear gradually and the CaAl2Si2O8 phase form gradually with the temperature increases. As the temperature increases, vibration peaks position silicon oxygen tetrahedron shift to lower wave number. When 1 450 degrees C, the temperature is too high to destroy the structure of silicon oxygen tetrahedron. At the same time, there is a broadening amorphous peak appears in Raman spectroscopy. The procedure of Al to replace Si is hindered with Eu doped in. It is the result that the peak at 1 620 cm(-1) decreases after the first increases. The change of surface structure associated with the scattering amount of Eu. PL and XRF results show that: as the temperature increases, the amount of Eu atom scattering on the material surface increases gradually, this change lead to the fluorescence intensity raise. Therefore, there is proportional relationship between the fluorescence intensity of the samples and the number of samples per unit surface area of Eu atoms.

  9. 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

  10. The pressure-volume equation of state of a synthetic grossular Ca3Al2Si3O12

    NASA Astrophysics Data System (ADS)

    Milani, Sula; Boffa Ballaran, Tiziana; Nestola, Fabrizio

    2014-05-01

    In the framework of a wide research project focused on mineral inclusions in diamonds we have investigated the compressibility of a synthetic grossular garnet (Ca3Al2Si3O12) with the purpose of providing new constraints on the diamond geobarometry. In fact, not only garnets are among the important phases of the Earth upper mantle but at the same time are one of the main phases found as inclusion in diamonds. Garnets are a crucial marker in determining the origin source of diamonds, which can be eclogitic and/or peridotitic. In particular, peridotitic diamonds include garnets characterized by about 90-92% of pyrope-almandine with the grossular component reaching about 6-8%, whereas eclogitic diamonds have garnets with the grossular component increased up to about 20-22%. In order to obtain information about the depth of formation of the diamond-garnet pair, beyond the classical chemical method, we propose the so called "elastic method", which is based on the knowledge of precise and accurate thermoelastic parameters for both diamond and inclusion (e.g. Nestola et al. 2011 and references therein). We have determined the pressure - volume equation of state of a pure synthetic grossular garnet by single-crystal X-ray diffraction up to about 8 GPa. The resulting equation of state coefficients, together with those previously determined for pyrope and almandine end-members and their intermediate compositions (see Milani et al. 2013) will cover the compositional range of garnets found as inclusions in diamonds, allowing to construct a robust model to predict the elastic parameters for any garnet composition typical of eclogitic and/or peridotitic diamond. The research was funded by the ERC Starting Grant to FN (grant agreement n° 307322). References Milani S., Mazzucchelli M., Nestola F., Alvaro M., Angel R.J., Geiger C.A., Domeneghetti M.C. (2013) The P-T conditions of garnet inclusion formation in diamond: thermal expansion of synthetic end-member pyrope. EGU General

  11. Ladle and Continuous Casting Process Models for Reduction of SiO2 in SiO2-Al2O3-CaO Slags by Al in Fe-Al(-Si) Melts

    NASA Astrophysics Data System (ADS)

    Park, Jiwon; Sridhar, S.; Fruehan, Richard J.

    2015-02-01

    Based on a mixed control or two-phase mass transfer model considering mass transport in the metal and the slag phases, process models for ladle and continuous castor mold were developed to predict the changes in the metal and the slag chemistry and viscosity. In the ladle process model, the rate of reaction is primarily determined by stirring gas flow rate, which greatly alters the mass transports of the metal and the slag phases. In the continuous casting process model, the effects of the Al, Si, and SiO2 contents in the incoming flow of the fluid phases, casting speed, mold flux consumption rate, and depth of the liquid mold flux pool on the steady-state compositions of the metal and the mold flux were assessed.

  12. Excellent stability of plasma-sprayed bioactive Ca 3ZrSi 2O 9 ceramic coating on Ti-6Al-4V

    NASA Astrophysics Data System (ADS)

    Liang, Ying; Xie, Youtao; Ji, Heng; Huang, Liping; Zheng, Xuebin

    2010-05-01

    In this work, novel zirconium incorporated Ca-Si based ceramic powder Ca 3ZrSi 2O 9 was synthesized. The aim of this study was to fabricate Ca 3ZrSi 2O 9 coating onto Ti-6Al-4V substrate using atmospheric plasma-spraying technology and to evaluate its potential applications in the fields of orthopedics and dentistry. The phase composition, surface morphologies of the coating were examined by XRD and SEM, which revealed that the Ca 3ZrSi 2O 9 coating was composed of grains around 100 nm and amorphous phases. The bonding strength between the coating and the substrate was 28 ± 4 MPa, which is higher than that of traditional HA coating. The dissolution rate of the coating was assessed by monitoring the ions release and mass loss after immersion in the Tris-HCl buffer solution. The in vitro bioactivity of the coating was determined by observing the formation of apatite on its surface in simulated body fluids. It was found that the Ca 3ZrSi 2O 9 coating possessed both excellent chemical stability and good apatite-formation ability, suggesting its potential use as bone implants.

  13. In-situ observation of isothermal CaSiO3 crystallization in CaO-Al2O3-SiO2 melts: A study of the effects of temperature and composition

    NASA Astrophysics Data System (ADS)

    Liu, Jing-Jing; Chen, Gong; Yan, Peng-Cheng; Planpain, Bart; Moelans, Nele; Guo, Muxing

    2014-09-01

    The crystallization behavior of CaSiO3 in different CaO-Al2O3-SiO2 melts was comprehensively investigated in-situ with a confocal scanning laser microscope (CSLM) over a wide range of temperatures. The observations clearly indicate a transition from a faceted to dendritic crystal morphology with decreasing temperature. The undercooling required for dendritic growth increases with decreasing Al2O3 (under same basicity) and increasing basicity. The dendrite structure becomes finer at higher growth rates with a lower Al2O3 and higher basicity. The growth rates of different dendrites are time-independent. With increasing temperature, the growth rate first increases and then decreases. The observed dendrite tip radii are compared with those obtained from Ivantsov theory in 2D and 3D. With decreasing temperature, the growth conditions in the CSLM experiments appeared to shift from 3D (with the dendrite tip below the surface melt) close to 2D (with the dendrite tip on top of the surface melt).

  14. Removal of Pb from Molten Copper by FetO-SiO2 (-CaO, Al2O3) Slag Treatment in Mitsubishi Process

    NASA Astrophysics Data System (ADS)

    Park, Soo Sang; Park, Joo Hyun

    The distribution behavior of Pb between molten copper and FetO-SiO2 (-CaO, Al2O3) slags was investigated at 1473 K (1200 °C) and p(O2)=10-10 atm in view of the reaction mechanism of Pb dissolution into the slag. The distribution ratio of Pb (L Pb) decreases with increasing CaO content ( 6 mass pct) irrespective of Fe/SiO2 ratio (1.4 1.7). However, the addition of alumina into a slag with Fe/SiO2=1.5 linearly decreases the L Pb, whereas a minimum value is observed at about 4 mass pct Al2O3 at Fe/SiO2=1.3. The log L Pb continuously decreases with increasing Fe/SiO2 ratio, and the addition of Al2O3 (5 to 15 mass pct) into the silica-saturated iron silicate slag (Fe/SiO2 > 1.0) yields the highest Pb distribution ratio. The log LPb linearly decreases by increasing the log (Fe3+/Fe2+) value. The Pb distribution ratio increases and the excess free energy of PbO decreases with increasing Cu2O content in the slag. However, from the viewpoint of copper loss into the slag, the silica-saturated system containing small amounts of alumina is strongly recommended to stabilize PbO in the slag phase at a low Cu2O content.

  15. Thermodynamics of Gold Dissolution Behavior in CaO-SiO2-Al2O3-MgOsat Slag System

    NASA Astrophysics Data System (ADS)

    Han, Yun Soon; Swinbourne, Douglas R.; Park, Joo Hyun

    2015-12-01

    Gold solubility in the CaO-SiO2-Al2O3-MgOsat slag system was measured at 1773 K (1500 °C) under a CO2-CO atmosphere over a wide range of compositions, i.e., 8 to 40 mass pct CaO, 26 to 50 mass pct SiO2, and 0 to 36 mass pct Al2O3, to determine the dissolution mechanism of gold in the CaO-based metallurgical slags. Gold solubility in the present slag system increased with increasing oxygen partial pressure and increasing activity of CaO. From the thermodynamic analysis, the dissolution mechanism of gold into the (alumino-)silicate melts is proposed as follows according to the activity of basic oxide, which indicates that the predominant species of gold is dependent on slag basicity. {Au}(s) + 1/4{O}2 (g) + 1/2( {{O}^{2 - } } ) = ( {{AuO}^{ - } } ),quad ( {a_{BO} < 0.1} ) {Au}(s) + 1/4{O}2 (g) + 3/2( {{O}^{2 - } } ) = ( {{AuO}2^{3 - } } ),quad ( {a_{BO} > 0.1} ) The enthalpy change for the dissolution of gold into the CaO-SiO2-Al2O3-MgOsat slag system was measured to be about -80 kJ/mol, indicating that the gold dissolution is exothermic. From the iso-Au solubility contours, the dominant factor affecting the gold dissolution behavior is the (CaO + MgO)/SiO2 ratio, whereas the influence of Al2O3 was negligible. Consequently, less basic slags and higher processing temperatures, in conjunction with a strongly reducing atmosphere, are recommended to increase gold recovery during pyro-processing of Au-containing e-wastes.

  16. Structure and microstructure of the glasses from NaCaPO4-SiO2 and NaCaPO4-SiO2-AlPO4 systems

    NASA Astrophysics Data System (ADS)

    Wajda, A.; Bułat, K.; Sitarz, M.

    2016-12-01

    Structure and microstructure of silico-phosphate glasses belong to NaXPO4-SiO2 and NaXPO4-SiO2-AlPO4 (where X = Ca or/and Mg) systems were investigated. Scanning electron microscopic studies combined with EDX were made it possible to show the occurrence of phase separation in the obtained materials. It was found that alumina has a homogenising effect on the microstructure of silico-phosphate glasses. Addition of a small amount of alumina (5 mol. % of AlPO4) causes the chemical compositions inversion of the matrix and the inclusions. Structural investigations of the obtained glasses as well as of the corresponding crystalline materials showed that the studied glasses exhibit domain composition. Structure of the domains is close to that of the corresponding crystalline phases. Spectroscopic investigations involving spectra decomposition into component bands were made it possible to establish the homogenising effect of aluminium on the structure of silicate-phosphate glasses. Presence of alumina leads to elimination of Pdbnd O bonds as well as replacement of Si-O-P by the Al-O-P ones.

  17. Facile synthesis of yellow-emitting CaAlSiN3:Ce3+ phosphors and the enhancement of red-component by co-doping Eu2+ ions

    NASA Astrophysics Data System (ADS)

    Chen, Jingjing; Zhao, Yang; Li, Guanghao; Mao, Zhiyong; Wang, Dajian; Bie, Lijian

    2017-04-01

    In this paper, facile synthesis of CaAlSiN3:Ce3+ yellow-emitting phosphors under atmospheric pressure at a moderate temperature and their photoluminescent properties are reported. The prepared CaAlSiN3:Ce3+ phosphors exhibit a broad yellow emission band positioned at 580 nm and covering a bandwidth of 150 nm. The thermal stability of CaAlSiN3:Ce3+ phosphors shows obvious superiority than the commercial YAG: Ce3+ phosphor, indicating its promising application prospect in power LEDs. In addition, the enhancement of red-light component for CaAlSiN3:Ce3+ phosphor is demonstrated by co-doping Eu2+ ions. This study offers a facile route to prepare CaAlSiN3:Ce3+ yellow-emitting phosphors, which may be used as a promising candidate for high performance white LEDs.

  18. [Effect of temperature on the structure of CaO-MgO-Al2O3-SiO2 nanocrystalline glass-ceramics studied by Raman spectroscopy].

    PubMed

    Li, Bao-Wei; Ouyang, Shun-Li; Zhang, Xue-Feng; Jia, Xiao-Lin; Deng, Lei-Bo; Liu, Fang

    2014-07-01

    In the present paper, nanocrystalline glass-ceramic of CaO-MgO-Al2O3-SiO2 system was produced by melting method. The CaO-MgO-Al2O3-SiO2 nanocrystalline glass-ceramic was measured by Raman spectroscopy in the temperature range from -190 to 310 degrees C in order to study the effect of temperature on the structure of this system nanocrystalline glass-ceramics. The results showed that different non-bridge oxygen bond silicon-oxygen tetrahedron structural unit changes are not consistent with rising temperature. Further analyses indicated that: the SiO4 tetrahedron with 2 non-bridged oxygen (Q2), the SiO4 tetrahedron with 3 non-bridged oxygen (Q(1)), which are situated at the edge of the 3-D SiO4 tetrahedrons network, and the SiO4 tetrahedron with 4 non-bridged oxygen (Q(0)), which is situated outside the 3-D network all suffered a significant influence by the temperature change, which has been expressed as: shifts towards the high wave-number, increased bond force constants, and shortened bond lengths. This paper studied the influence of temperature on CMAS system nanocrystalline glass-ceramics using variable temperature Raman technology. It provides experiment basis to the research on external environment influence on CMAS system nanocrystalline glass-ceramics materials in terms of structure and performance. In addition, the research provides experimental basis for controlling the expansion coefficient of nanocrystalline glass-ceramic of CaO-MgO-Al2O3-SiO2 system.

  19. (CaO · Al2O3 · SiO2): Eu phosphors for violet/ultraviolet-to-white radiation conversion

    NASA Astrophysics Data System (ADS)

    Gurin, N. T.; Paksyutov, K. V.; Terent'ev, M. A.; Shirokov, A. V.

    2012-02-01

    (2CaO · 0.5Al2O3 · 5SiO2): Eu and (CaO · 0.2Al2O3 · SiO2): Eu phosphors doped with B2O3 in an amount of 3 wt % are obtained by direct solid-phase synthesis at 1350°C. When excited by LED radiation with a maximum at 380 nm, these phosphors emit white light with color coordinates, which are close to those in the EBU and NTSC TV standards and fall into the field of white light corresponding to light warning systems according to the International Commission on Illumination (CIE).

  20. Directional solidification, thermo-mechanical and optical properties of (Mg(x)Ca(1-x))(3)Al(2)Si(3)O(12) glasses doped with Nd(3+) ions.

    PubMed

    Sola, D; Conejos, D; Martínez de Mendivil, J; Ortega-San-Martín, L; Lifante, G; Peña, J I

    2015-10-05

    In this work glass rods of (Mg(x)Ca(1-x))(3)Al(2)Si(3)O(12) (x = 0, 0.5 and 1) doped with 1 wt% Nd(2)O(3) were produced by the laser floating zone technique. Thermo-mechanical and spectroscopic properties have been evaluated. The three glass samples present good thermo-mechanical properties, with similar hardness, toughness and glass transition temperatures. The spectroscopic characterization shows spectral shifts in absorption and emission spectra. These spectral shifts together with Judd-Ofelt intensity parameters and ionic packing ratio have been used to investigate the local structure surrounding the Nd(3+) ions and the covalency of the Nd-O bond. All obtained results agree and confirm the higher covalency of the Nd-O bond in the Ca(3)Al(2)Si(3)O(12) glass.

  1. Dynamic Wetting of CaO-Al2O3-SiO2-MgO Liquid Oxide on MgAl2O4 Spinel

    NASA Astrophysics Data System (ADS)

    Abdeyazdan, Hamed; Dogan, Neslihan; Rhamdhani, M. Akbar; Chapman, Michael W.; Monaghan, Brian J.

    2015-02-01

    Inclusion type and content in steel is critical in steelmaking, affecting both productivity through clogging, and downstream physical properties of the steel. They are normally removed from steel by reacting with a slag (liquid oxide) phase. For efficient inclusion removal, the inclusions must attach/bond with this liquid phase. The strength of the attachment can be in part characterized by the wettability of the liquid oxide on the inclusions. In this study, the dynamic wetting of liquid oxides of the CaO-Al2O3-SiO2-MgO system on a solid spinel (MgAl2O4) substrate with low porosity of 1.9 pct was measured at 1773 K (1500 °C) using a modified sessile drop technique. The dynamic contact angle between the liquid and solid spinel was determined for different CaO/Al2O3 mass percent ratios ranging from 0.98 to 1.55. Characteristic curves of wettability ( θ) vs time showed a rapid decrease in wetting in the first 10 seconds tending to a plateau value at extended times. A mathematical model for spreading behavior of liquid oxides by Choi and Lee was adopted and shown to provide a reasonable representation of the spreading behavior with time. The chemical interaction at the interface between spinel (MgAl2O4) and slag was analyzed by carrying out detailed thermodynamic evaluation and characterization using scanning electron microscopy/energy dispersive spectroscopy. There is evidence of liquid penetrating the substrate via pores and along grain boundaries, forming a penetration layer in the substrate. The depth of the penetration layer was found to be a function of substrate porosity and sample cooling rate. It decreased from ~350 µm for 6.7 pct-porous substrate to ~190 µm for substrate with porosity of 1.9 pct and from ~190 µm to ~50 µm for a slow-cooled liquid oxide-spinel substrate sample in the furnace to a rapidly cooled liquid cooled-spinel substrate sample, respectively.

  2. Experimental high pressure and high temperature study of the incorporation of uranium in Al-rich CaSiO 3 perovskite

    NASA Astrophysics Data System (ADS)

    Gréaux, Steeve; Gautron, Laurent; Andrault, Denis; Bolfan-Casanova, Nathalie; Guignot, Nicolas; Bouhifd, M. Ali

    2009-05-01

    The high ability of the Al-rich CaSiO 3 perovskite to contain large amounts of uranium (up to 4 at.% U) has been studied up to 54 GPa and 2400 K, using laser-heated diamond anvil cell (LH-DAC) and up to 18 GPa and 2200 K using a multi-anvil press (MAP). Both latter HP-HT techniques proved to be complementary and gave similar results, in spite of different heating modes (laser and furnace). Chemical reactions were characterized and described by electron probe microanalysis and analytical scanning electron microscopy while associated structural changes were precisely characterized by synchrotron angle dispersive X-ray diffraction and by X-ray micro-diffraction. The diffusion of uranium into the CaSiO 3 matrix was measured as a function of run duration and temperature. We obtain diffusion coefficients with the same order of magnitude (about 10 -16 m 2 s -1) than for those found in the literature. After this work, coupled cationic substitutions of Ca by U and Si by Al are proposed to generate new interesting crystallographic features for a CaSiO 3 perovskite: a higher compressibility, a tetragonal distortion along the c-axis with c/ a ratio >1, a different compression behaviour of c-axis relative to a-axis, and a perovskite structure quenchable to ambient P and T conditions. The tetragonal U-bearing aluminous CaSiO 3 perovskite is observed to remain stable at pressures up to 54 GPa, then in the ( P, T) range of the upper part of the lower mantle. The influence of the present results, in terms of both uranium and aluminium partitioning related to the coexisting mineral phases as the (Mg,Fe)SiO 3 perovskite, is discussed. Uranium provides approximately 25% of the total energy generated within the deep Earth through its radioactive decay. The location of this source within the deep mantle is fundamental to the understanding of the geodynamics and thermal behaviour of our planet. Since the tetragonal structure of the U-bearing Al-rich CaSiO 3 perovskite is expected to

  3. SiO 2-CaO-B 2O 3-Al 2O 3 ceramic glaze as sealant for planar ITSOFC

    NASA Astrophysics Data System (ADS)

    Zheng, R.; Wang, S. R.; Nie, H. W.; Wen, T.-L.

    A series of ceramic glazes based on the SiO 2-CaO-B 2O 3-Al 2O 3 system as sealant for intermediate temperature solid oxide fuel cell (ITSOFC) were investigated. Different ratios of B 2O 3/SiO 2 and Al 2O 3/CaO were investigated to control softening process, phase separation, and crystallization. When B 2O 3/SiO 2 ratio was in the range of 0.14-0.27, the glazes showed good wetting and bonding behavior with both 8 mol% yttria-stabilized zirconia (8YSZ) electrolyte and stainless steel interconnect which could satisfy the sealing demand at 850 °C. And the dimension stability can be kept for over 100 h by introducing ceramic felt and controlling the glazes viscosity in the range of 10 4 to 10 6 Pa s. By means of controlling Al 2O 3/CaO ratio in the range of 0.4-0.68, phase separation and crystallization were restrained effectively. After holding at 850 °C for 100 h, non-crystalline network in the glazes could be found, and a suitable viscous flow could well relax thermal stress. The sealing was effective even after 10 thermal cycles. Element analysis showed a good chemical stability at the ceramic glazes/stainless steel interconnect and ceramic glazes/8YSZ electrolyte interfaces.

  4. Synthesis of MgO-CaO-Al2O3-SiO2 nanocomposite powder by polymeric complex method as a novel sintering additive of AlN ceramics

    NASA Astrophysics Data System (ADS)

    Lee, Hwa-Jun; Cho, Woo-Seok; Kim, Hyeong Jun; Pan, Wei; Shahid, Mohammad; Ryu, Sung-Soo

    2016-09-01

    A MgO-CaO-Al2O3-SiO2 (MCAS) nanocomposite powder with a particle size of 50 nm and a specific surface area of 40.6 m2/g was successfully synthesized via heat-treatment of polymeric precursors containing Mg, Ca, Al and Si in air at 700 °C for 5 h. It was characterized as a novel sintering additive for the densification AlN ceramics at a low temperature below 1600 °C. It was found that the nanosized MCAS powder was suitable for the densification of AlN ceramics. In particular, full densification could be achieved when only 1.0 wt% MCAS additive-doped AlN powder compact was sintered for 1 h at 1600 °C, and a thermal conductivity of 84 W/m·K was attained.

  5. Structural and optical characterizations of Ca2Al2SiO7:Ce3+, Mn2+ nanoparticles produced via a hybrid route

    NASA Astrophysics Data System (ADS)

    Teixeira, V. C.; Montes, P. J. R.; Valerio, M. E. G.

    2014-07-01

    Pure, Ce3+ doped and Ce3+ and Mn2+ co-doped Ca2Al2SiO7 ceramic powders were prepared by two different methodologies which are the proteic sol-gel process and a new hybrid route combining the proteic sol-gel with solid state reaction processes. The second one is an eco-friendly method because it uses natural raw materials in replacement of the metal alkoxides used in the traditional sol-gel routes. X-ray diffraction showed that Ca2Al2SiO7 crystalline phase was obtained for both preparations. Differential thermal analysis indicated that the exothermic event around 850 °C, for sample produced by proteic sol-gel method, and around 927 °C, for ceramics prepared by hybrid synthesis, can be associated to crystallization of Ca2Al2SiO7. Transmission electron microscope indicates that regular and spherical nanoparticles were obtained with average sizes of about 12 nm. The Scherrer's method was used to determine the average crystallite sizes and it was shown that nanometric crystallites were obtained of about 74 nm for samples produced via hybrid route. For all the single phase samples, the crystallite sizes are about the same and that agrees with TEM results. Diffuse optical reflectance measurements were used to estimate the Ca2Al2SiO7 optical band gap and the obtained value is about 6 eV, photoluminescence (PL) spectra presented typical emissions of Ce3+ and Mn2+ ions. Upon excitation at 352 nm the emission spectra showed a broad band centered at 415 nm due to the Ce3+ 4f1 → 5d1 typical transition. This emission is resonant with Mn2+ excitation and it transfers energy to Mn ions generating a second broad emission band centered at 620 nm due to the Mn2+. The PL results were used to obtain, as a fist approach, the Ce3+ energy levels diagram and, using the Tanabe-Sugano diagrams, the transitions due to the Mn2+ were calculated. X-ray excited optical luminescence measurements showed the same emission spectra as the PL emission spectra. Luminescence lifetime decay constants

  6. Plasma-sprayed CaTiSiO5 ceramic coating on Ti-6Al-4V with excellent bonding strength, stability and cellular bioactivity

    PubMed Central

    Wu, Chengtie; Ramaswamy, Yogambha; Liu, Xuanyong; Wang, Guocheng; Zreiqat, Hala

    2008-01-01

    Novel Ca-Si-Ti-based sphene (CaTiSiO5) ceramics possess excellent chemical stability and cytocompatibility. The aim of this study was to prepare sphene coating on titanium alloy (Ti-6Al-4V) for orthopaedic applications using the plasma spray method. The phase composition, surface and interface microstructure, coating thickness, surface roughness and bonding strength of the plasma-sprayed sphene coating were analysed using X-ray diffraction, scanning electron microscopy, atomic force microscopy and the standard mechanical testing of the American Society for Testing and Materials, respectively. The results indicated that sphene coating was obtained with a uniform and dense microstructure at the interface of the Ti-6Al-4V surface and the thickness and surface roughness of the coating were approximately 150 and 10 μm, respectively. Plasma-sprayed sphene coating on Ti-6Al-4V possessed a significantly improved bonding strength and chemical stability compared with plasma-sprayed hydroxyapatite (HAp) coating. Plasma-sprayed sphene coating supported human osteoblast-like cell (HOB) attachment and significantly enhanced HOB proliferation and differentiation compared with plasma-sprayed HAp coating and uncoated Ti-6Al-4V. Taken together, plasma-sprayed sphene coating on Ti-6Al-4V possessed excellent bonding strength, chemical stability and cellular bioactivity, indicating its potential application for orthopaedic implants. PMID:18664431

  7. High pressure synthesis and crystal structure of a ternary superconductor Ca{sub 2}Al{sub 3}Si{sub 4} containing layer structured calcium sub-network isomorphous with black phosphorus

    SciTech Connect

    Tanaka, Masashi; Zhang, Shuai; Tanaka, Yuki; Inumaru, Kei; Yamanaka, Shoji

    2013-02-15

    The Zintl compound CaAl{sub 2}Si{sub 2} is peritectically decomposed to a mixture of Ca{sub 2}Al{sub 3}Si{sub 4} and aluminum metal at temperatures above 600 Degree-Sign C under a pressure of 5 GPa. The new ternary compound Ca{sub 2}Al{sub 3}Sl{sub 4} crystalizes with the space group Cmc2{sub 1} and the lattice parameters a=5.8846(8), b=14.973(1), and c=7.7966(5) A. The structure is composed of aluminum silicide framework [Al{sub 3}Si{sub 4}] and layer structured [Ca{sub 2}] network interpenetrating with each other. The electron probe microanalysis (EPMA) shows the formation of solid solutions Ca{sub 2}Al{sub 3-x}Si{sub 4+x} (x<0.6). The layer structured [Ca{sub 2}] sub-network is isomorphous with black phosphorus. The new ternary compound shows superconductivity with a transition temperature (T{sub c}) of 6.4 K. The band structure calculation suggests that the superconductivity should occur through the conduction bands mainly composed of 3p orbitals of the aluminum silicide framework. - Graphical abstract: A new ternary superconductor Ca{sub 2}Al{sub 3}Si{sub 4} has been prepared under high pressure and high temperature conditions, which includes layer structured calcium sub-network isomorphous with black phosphorus. Highlights: Black-Right-Pointing-Pointer A typical Zintl compound CaAl{sub 2}Si{sub 2} melts congruently at ambient pressure. Black-Right-Pointing-Pointer Under high pressure CaAl{sub 2}Si{sub 2} decomposes to Ca{sub 2}Al{sub 3}Si{sub 4} and Al at {approx}600 Degree-Sign C. Black-Right-Pointing-Pointer Ca{sub 2}Al{sub 3}Si{sub 4} contains Ca sub-network isomorphous with black phosphorus. Black-Right-Pointing-Pointer Ca{sub 2}Al{sub 3}Si{sub 4} shows superconductivity with a transition temperature of 6.4 K.

  8. Evaluating the Diffusion Coefficient of Sulfur in Low-Silica CaO-SiO2-Al2O3 Slag

    NASA Astrophysics Data System (ADS)

    Muhmood, Luckman; Viswanathan, Nurni Neelakandan; Iwase, Masanori; Seetharaman, Seshadri

    2011-04-01

    The chemical diffusion coefficient of sulfur in the ternary slag of composition 51.5 pct CaO-9.6 pct SiO2-38.9 pct Al2O3 slag was measured at 1680 K, 1700 K, and 1723 K (1403 °C, 1427 °C, and 1450 °C) using the experimental method proposed earlier by the authors. The P_{{{{S}}2 }} and P_{{{{O}}2 }} pressures were calculated from the Gibbs energy of the equilibrium reaction between CaO in the slag and solid CaS. The density of the slag was obtained from earlier experiments. Initially, the order of magnitude for the diffusion coefficient was taken from the works of Saito and Kawai but later was modified so that the concentration curve for sulfur obtained from the program was in good fit with the experimental results. The diffusion coefficient of sulfur in 51.5 pct CaO-9.6 pct SiO2-38.9 pct Al2O3 slag was estimated to be in the range 3.98 to 4.14 × 10-6 cm2/s for the temperature range 1680 K to 1723 K (1403 °C to 1450 °C), which is in good agreement with the results available in literature

  9. An SEM, EDS and vibrational spectroscopic study of the silicate mineral meliphanite (Ca,Na)2Be[(Si,Al)2O6(F,OH)].

    PubMed

    Frost, Ray L; López, Andrés; Theiss, Frederick L; Romano, Antônio Wilson; Scholz, Ricardo

    2015-02-05

    The mineral meliphanite (Ca,Na)2Be[(Si,Al)2O6(F,OH)] is a crystalline sodium calcium beryllium silicate which has the potential to be used as piezoelectric material and for other ferroelectric applications. The mineral has been characterized by a combination of scanning electron microscopy (SEM) with energy dispersive spectroscopy (EDS) and vibrational spectroscopy. EDS analysis shows a material with high concentrations of Si and Ca and low amounts of Na, Al and F. Beryllium was not detected. Raman bands at 1016 and 1050 cm(-1) are assigned to the SiO and AlOH stretching vibrations of three dimensional siloxane units. The infrared spectrum of meliphanite is very broad in comparison with the Raman spectrum. Raman bands at 472 and 510 cm(-1) are assigned to OSiO bending modes. Raman spectroscopy identifies bands in the OH stretching region. Raman spectroscopy with complimentary infrared spectroscopy enables the characterization of the silicate mineral meliphanite. Copyright © 2014 Elsevier B.V. All rights reserved.

  10. Density functional investigation of metal encapsulated X@C 12Si 8 heterofullerene (X=Li +, Na +, K +, Be 2+, Mg 2+, Ca 2+, Al 3+, Ga 3+)

    NASA Astrophysics Data System (ADS)

    Shakib, F. A.; Momeni, M. R.

    2011-04-01

    The stability and the possible application of our recently reported SiC heterofullerenes inspire the investigation of their further stabilization through ion encapsulation. The endohedral complexes X@C 12Si 8, where X=Li +, Na +, K +, Be 2+, Mg 2+, Ca 2+, Al 3+, and Ga 3+, are probed at the MPWB1K/6-311G* and B3LYP/6-311G* levels of theory. The optimized geometries show the expanding or contracting capability of C 12Si 8 in order to accommodate metal ion guests. The inclusion energies indicate the stability of the complexes compared to the components. Meanwhile, the calculated binding energies show the stabilization of C 12Si 8 through the inclusion of Be 2+, Mg 2+, Al 3+, and Ga 3+. The host-guest interaction that is probed through NBO atomic charges supports the obtained results. This study refers to “metal ion encapsulation” as a strategy for stabilization of SiC heterofullerenes.

  11. Analysis of the Fe-Ce-O-C- M phase diagrams ( M = Ca, Mg, Al, Si) by constructing a component-solubility surface

    NASA Astrophysics Data System (ADS)

    Mikhailov, G. G.; Makrovets, L. A.; Smirnov, L. A.; Dresvyankina, L. E.

    2016-06-01

    Analysis of the ternary phase diagrams of Ce2O3- and CeO2-containing oxide systems allowed us to find the oxide compounds that form during steel deoxidizing with cerium and with cerium together with aluminum, calcium, magnesium, or silicon. The temperature dependences of the equilibrium constants of formation of Ce2O3 oxides and Ce2O3 · Al2O3, Ce2O3 · 11Al2O3, Ce2O3 · 2SiO2, 7Ce2O3 · 9SiO2 and Ce2O3 · SiO2 compounds are found. Surfaces for the component solubility in metallic melts Fe-Al-Ce-O-C, Fe- Ca-Ce-O-C, Fe-Mg-Ce-O-C, and Fe-Si-Ce-O-C are constructed. Nonmetallic inclusions that form in the course of experimental melts of St20 steel after its deoxidizing with silicocalcium and rare-earth metal (REM)-containing master alloys in a ladle furnace after degassing are studied. Phase inhomogeneity of the inclusions is found. As a rule, they consist of phases classified into the following three groups: oxide-sulfide, sulfide-oxide, and multiphase oxide-sulfide melt. Calcium aluminates are found to be components of complex sulfide-oxide noncorrosive inclusions.

  12. Si Purification by Removal of Entrapped Al during Electromagnetic Solidification Refining of Si-Al Alloy

    NASA Astrophysics Data System (ADS)

    Yu, Wenzhou; Ma, Wenhui; Zheng, Zhong; Lei, Yun; Jiang, Weiyan; Li, Jie

    2017-10-01

    To investigate the effect of the removal of entrapped Al on Si purity during Al-Si electromagnetic solidification refining, the formation mechanism and removal principle of entrapped Al in primary Si were studied. The results showed that the agglomeration and irregular shape of primary Si crystals during electromagnetic solidification were the main reasons for the formation of entrapped Al; a higher initial Si content in an Al-Si alloy may result in higher amounts of entrapped Al. The entrapped Al can be effectively removed by first grinding the primary Si to powder particles of 20 μm and then leaching the particles with acid, which can simultaneously remove other impurities concentrated in the entrapped Al such as Fe, Ca, Ti, and B. Hence, it is proposed that the combination of electromagnetic solidification, acid leaching, and vacuum directional solidification could be used to obtain solar-grade silicon.

  13. Si Purification by Removal of Entrapped Al during Electromagnetic Solidification Refining of Si-Al Alloy

    NASA Astrophysics Data System (ADS)

    Yu, Wenzhou; Ma, Wenhui; Zheng, Zhong; Lei, Yun; Jiang, Weiyan; Li, Jie

    2017-06-01

    To investigate the effect of the removal of entrapped Al on Si purity during Al-Si electromagnetic solidification refining, the formation mechanism and removal principle of entrapped Al in primary Si were studied. The results showed that the agglomeration and irregular shape of primary Si crystals during electromagnetic solidification were the main reasons for the formation of entrapped Al; a higher initial Si content in an Al-Si alloy may result in higher amounts of entrapped Al. The entrapped Al can be effectively removed by first grinding the primary Si to powder particles of 20 μm and then leaching the particles with acid, which can simultaneously remove other impurities concentrated in the entrapped Al such as Fe, Ca, Ti, and B. Hence, it is proposed that the combination of electromagnetic solidification, acid leaching, and vacuum directional solidification could be used to obtain solar-grade silicon.

  14. Stability of Fluorine-Free CaO-SiO2-Al2O3-B2O3-Na2O Mold Fluxes

    NASA Astrophysics Data System (ADS)

    Wang, Lin; Zhang, Jianqiang; Sasaki, Yasushi; Ostrovski, Oleg; Zhang, Chen; Cai, Dexiang

    2017-01-01

    B2O3 and Na2O are key components of fluorine-free mold fluxes for continuous casting, but both are highly volatile, which affects the flux stability. This paper investigated the evaporation of the SiO2-CaO-Al2O3-B2O3-Na2O fluxes (Na2O: 6 to 10 wt pct, CaO/SiO2 ratio: 0.8 to 1.3) in the temperatures ranging from 1573 K to 1673 K (1300 °C to 1400 °C) using thermogravimetric analysis. The weight loss as a result of the flux evaporation increased with the increasing temperature for all fluxes. The rate of evaporation was found to be very small for the Na2O-free flux but significantly increased with the addition of Na2O. The high evaporation rate of fluxes in the presence of B2O3 and Na2O was attributed to the formation of highly volatile NaBO2. Changing the ratio of CaO/SiO2, however, did not affect the rate of evaporation. Kinetic analysis of the evaporation processes demonstrated that external mass transfer contributed to the rate of evaporation.

  15. Stability of Fluorine-Free CaO-SiO2-Al2O3-B2O3-Na2O Mold Fluxes

    NASA Astrophysics Data System (ADS)

    Wang, Lin; Zhang, Jianqiang; Sasaki, Yasushi; Ostrovski, Oleg; Zhang, Chen; Cai, Dexiang

    2017-04-01

    B2O3 and Na2O are key components of fluorine-free mold fluxes for continuous casting, but both are highly volatile, which affects the flux stability. This paper investigated the evaporation of the SiO2-CaO-Al2O3-B2O3-Na2O fluxes (Na2O: 6 to 10 wt pct, CaO/SiO2 ratio: 0.8 to 1.3) in the temperatures ranging from 1573 K to 1673 K (1300 °C to 1400 °C) using thermogravimetric analysis. The weight loss as a result of the flux evaporation increased with the increasing temperature for all fluxes. The rate of evaporation was found to be very small for the Na2O-free flux but significantly increased with the addition of Na2O. The high evaporation rate of fluxes in the presence of B2O3 and Na2O was attributed to the formation of highly volatile NaBO2. Changing the ratio of CaO/SiO2, however, did not affect the rate of evaporation. Kinetic analysis of the evaporation processes demonstrated that external mass transfer contributed to the rate of evaporation.

  16. Effect of Ca-Al-Si-O common glass on dielectric properties of low-temperature co-fired ceramic materials with different fillers.

    PubMed

    Park, Zee-Hoon; Yeo, Dong-Hun; Shin, Hyo-Soon

    2014-11-14

    High-density integration in single component used for mobile communication is highly demanded with the miniaturization trend in multi-functional light-weighted mobile communication devices. Embedding passive components into multi-layered ceramic chips is also increasingly needed for high integrity. The need for high strength materials to be used in handheld devices has also increased. To this end, many attempts to join different low-temperature co-fired ceramics (LTCC) materials with different dielectric constants have been made, but failed with de-laminations or internal cracks mainly due to difference of thermal expansion coefficients. It is thought that this difference could be minimized with the use of common glass in different LTCC materials. In this study, several candidates of common glass were mixed with various fillers of LTCC to have various dielectric constants in the radio-frequency, and to minimize the mismatch in joining. Ca-Al-Si-O glass was mixed with 1.3MgO-TiO2, cordierite and CaTiO3. Mixtures were tape-cast and sintered to be compared with their micro-structures, dielectric properties and thermo-mechanical characteristics. When 1.3MgO-TiO2 with volumetric ratio of 30% was mixed with Ca-Al-Si-O glass, the measured dielectric constant was 7.9, the quality factor was 3708. With 45 volumetric percent of cordierite, the dielectric constant was 5 and the quality factor was 1052.

  17. The Effect of Bi-Sr and Ca-Sr Interactions on the Microstructure and Tensile Properties of Al-Si-Based Alloys

    PubMed Central

    Samuel, Agnes M.; Doty, Herbert W.; Gallardo, Salvador Valtierra; Samuel, Fawzy H.

    2016-01-01

    The effect of bismuth and calcium additions on the microstructural characteristics and the tensile properties of the modified and grain-refined Al-Si based B319 alloys were studied in this paper. Based on the results obtained, it has been concluded that Bi reacts with both Sr and Mg, leading to severe demodification of the eutectic Si at Bi levels of 0.15%–0.6% Bi. Bismuth causes a decrease of the yield and tensile strengths for the as-cast and artificially aged conditions and an increase of yield strength in the solution heat-treated condition. The elongation increases with the Bi in the solution heat-treated condition. Based on this, Bi is found to be an efficient solid-solution strengthening element for these alloys. Thus, solution heat treatment, rather than the artificial aging, may be recommended for alloys containing about 1.0% Bi. Calcium has no significant demodification effect on the Sr-modified Si particles at 100–400 ppm Ca, and has a modifying effect at ~600 ppm Ca. The elongation increases with the Ca level at all conditions (as-cast, solution heat-treated, and artificially aged). A slight increase of the tensile strength in the heat-treated conditions was also observed. The lowest tensile properties either in the as-cast or the heat-treated conditions correspond to the most demodified-Si condition obtained at 408 ppm Ca. Calcium is, therefore, not as detrimental to the tensile properties as Bi. PMID:28773251

  18. Facile synthesis of Ca0.68Si9Al3(ON)16:Eu2+ microbelts mat with the enhanced fluorescence and mechanical performance

    NASA Astrophysics Data System (ADS)

    Zhao, Hailei; Cui, Bo; Wang, Hongzhi; Zhang, Qinghong; Li, Yaogang

    2016-01-01

    Yellow-emitting phosphor mat consisting of Ca0.68Si9Al3(ON)16:Eu2+ microbelts was prepared by electrospinning and subsequent nitridation. The as-prepared fiber precursor is smooth and uniform with diameter of 800 to 900 nm. After removing organic templates and nitridation, the morphology of the fiber is well retained and thus a smooth microbelts phosphor mat was obtained. X-ray diffraction and the photoluminescence (PL) spectra reveals that a relatively pure Ca0.68Si9Al3(ON)16 phase and the highest spectral intensity could be obtained at a relatively low temperature of 1500 °C and Eu2+ doping molar concentration of 0.1. The excitation spectra exhibits a broad band, ranging from 300 to 550 nm, which could be excited by blue LED chip at room temperature. The emission spectra of all exhibits a single broad band in the 400 to 700 nm region, with the maximum intensity always being at 580 nm. The Ca0.68Si9Al3(ON)16:Eu2+ microbelts phosphor mat has the bending strength about 4.5 MPa with a photoluminescence quantum yield as high as 65%. By employing it as yellow phosphor, a high-performance warm white LED could be fabricated with low correlated color temperature (2985 K), high-color-rendering index (Ra=86) and luminous efficacy of 129.5 lm W-1. Different color temperatures also could be tuned by employing microbelts phosphor mats with different thicknesses.

  19. Crystal Growth of Ca3Nb(Ga1−xAlx)3Si2O14 Piezoelectric Single Crystals with Various Al Concentrations

    PubMed Central

    Yokota, Yuui; Kudo, Tetsuo; Ohashi, Yuji; Medvedev, Andrey; Kurosawa, Shunsuke; Kamada, Kei; Yoshikawa, Akira

    2015-01-01

    Ca3Nb(Ga1−xAlx)3Si2O14 (CNGAS) single crystals with various Al concentrations were grown by a micro-pulling-down (µ-PD) method and their crystal structures, chemical compositions, crystallinities were investigated. CNGAS crystals with x = 0.2, 0.4 and 0.6 indicated a single phase of langasite-type structure without any secondary phases. In contrast, the crystals with x = 0.8 and 1 included some secondary phases in addition to the langasite-type phase. Lattice parameters, a- and c-axes lengths, of the langasite-type phase systematically decreased with an increase of Al concentration. The results of chemical composition analysis revealed that the actual Al concentrations in as-grown crystals were almost consistent with the nominal compositions. In addition, there was no large segregation of each cation along the growth direction. PMID:28793525

  20. The co-crystallization of beryl-structure compounds in the Al 2Be 3Si 6O 18—Mg,Ca/F,Cl system

    NASA Astrophysics Data System (ADS)

    Mikhailov, M. A.

    2005-02-01

    An Al 2Be 3Si 6O 18 — Mg, Ca/F, Cl flux system unused earlier has been chosen for the synthesis of beryl (Al 2Be 3Si 6O 18) and its varieties. In such a case of disregarding the well-known rules of the choice of a solvent, the following crystallization features of beryl have been revealed: (1) the beryl co-crystallizes successively and/or simultaneously with isostructural beryllian indialite (Mg 2BeAl 2Si 6O 18); (2) the bulk of beryl crystals is formed only in regions with high concentration of a flux; (3) the solution-melt liquates; (4) the solvent evaporates intensively. The advantages of the flux proposed are both the possibility of using inexpensive steel crucibles and good chromophoric properties of Cr, V, and Ti. Ratios of constitutient elements and some additive those between beryl and beryllian indialite, both grown simultaneously, and between pinacoid and prism in crystals of these compounds are reported.

  1. The effect of H2O gas on volatilities of planet-forming major elements. I - Experimental determination of thermodynamic properties of Ca-, Al-, and Si-hydroxide gas molecules and its application to the solar nebula

    NASA Technical Reports Server (NTRS)

    Hashimoto, Akihiko

    1992-01-01

    The vapor pressures of Ca(OH)2(g), Al(OH)3(g), and Si(OH)4(g) molecules in equilibrium with solid calcium-, aluminum, and silicon-oxides, respectively, were determined, and were used to derive the heats of formation and entropies of these species, which are expected to be abundant under the currently postulated physical conditions in the primordial solar nebula. These data, in conjunction with thermodynamic data from literature, were used to calculate the relative abundances of M, MO(x), and M(OH)n gas species and relative volatilities of Fe, Mg, Si, Ca, and Al for ranges of temperature, total pressure, and H/O abundance ratio corresponding to the plausible ranges of physical conditions in the solar nebula. The results are used to explain how Ca and Al could have evaporated from Ca,Al-rich inclusions in carbonaceous chondrites, while Si, Mg, and Fe condensed onto them during the preaccretion alteration of CAIs.

  2. The effect of H2O gas on volatilities of planet-forming major elements. I - Experimental determination of thermodynamic properties of Ca-, Al-, and Si-hydroxide gas molecules and its application to the solar nebula

    NASA Technical Reports Server (NTRS)

    Hashimoto, Akihiko

    1992-01-01

    The vapor pressures of Ca(OH)2(g), Al(OH)3(g), and Si(OH)4(g) molecules in equilibrium with solid calcium-, aluminum, and silicon-oxides, respectively, were determined, and were used to derive the heats of formation and entropies of these species, which are expected to be abundant under the currently postulated physical conditions in the primordial solar nebula. These data, in conjunction with thermodynamic data from literature, were used to calculate the relative abundances of M, MO(x), and M(OH)n gas species and relative volatilities of Fe, Mg, Si, Ca, and Al for ranges of temperature, total pressure, and H/O abundance ratio corresponding to the plausible ranges of physical conditions in the solar nebula. The results are used to explain how Ca and Al could have evaporated from Ca,Al-rich inclusions in carbonaceous chondrites, while Si, Mg, and Fe condensed onto them during the preaccretion alteration of CAIs.

  3. Melts in the Deep Earth: Calculating the Densities of CaO-FeO-MgO-Al2O3-SiO2 Liquids

    NASA Astrophysics Data System (ADS)

    Thomas, C.; Guo, X.; Agee, C. B.; Asimow, P. D.; Lange, R. A.

    2012-12-01

    We present new equation of state (EOS) measurements for hedenbergite (Hd, CaFeSi2O6) and forsterite (Fo, Mg2SiO4) liquids. These liquid EOS add to the basis set in the CaO-FeO-MgO-Al2O3-SiO2 (CMASF) oxide space at elevated temperatures and pressures; other liquids include: enstatite (En, MgSiO3), anorthite (An, CaAl2Si2O8), diopside (Di, CaMgSi2O6), and fayalite (Fa, Fe2SiO4). The Hd EOS measurement was a multi-technique collaboration using 1-atm double-bob Archimedean, ultrasonic, sink/float, and shock wave techniques. Un-weighted linear fitting of the shock data in shock velocity (US)-particle velocity (up) space defines a pre-heated (1400 °C) Hugoniot US = 2.628(0.024) + 1.54(0.01)up km/s. The slope corresponds to a K' of 5.16(0.04), consistent with piston-cylinder and multi-anvil sink/float experiments. The intercept is fixed at the ultrasonic sound speed (Co) since the unconstrained intercept is within the stated error. This behavior demonstrates consistency across methods and that the liquid is relaxed during shock compression. Shock compression of pre-heated (2000°C) single crystal Fo gives an un-weighted linear Hugoniot of US = 2.674(0.188) + 1.64(0.06)up km/s. The unconstrained Co falls below estimates based on extrapolation in both temperature and composition from two published partial molar sound speed models, 3.195m/s [1] and 3.126 m/s [2]. The shock-derived Co indicates that dC/dT is negative for Fo liquid, contrary to the positive [1] and zero [2] temperature dependences derived over relatively narrow temperature intervals. CMASF liquid isentropes were calculated using five end-members (En, Fo, Fa, An, Di). For modeling crystallization of a fictive magma ocean, we examined two liquids: peridotite [3] (P=.33En+.56Fo+.07Fa+.03An+.007Di) and simplified chondrite [4] (Ch=.62En+.24Fo+.08Fa+.04An+.02Di). Each end-member is defined by a 3rd or 4th order Birch-Murnaghan isentrope, Mie-Grüneisen thermal pressure and a constant heat capacity. The volumes are

  4. Effect of Slag Composition on the Distribution Behavior of Pb between FetO-SiO2 (-CaO, Al2O3) Slag and Molten Copper

    NASA Astrophysics Data System (ADS)

    Heo, Jung Ho; Park, Soo-Sang; Park, Joo Hyun

    2012-10-01

    The distribution behavior of Pb between molten copper and FetO-SiO2 (-CaO, Al2O3) slags was investigated at 1473 K (1200 °C) and p_{{{{O}}2 }} = 10^{ - 10} {{atm}} in view of the reaction mechanism of Pb dissolution into the slag. Furthermore, the lead capacity of the slag was estimated from the experimental results. The distribution ratio of Pb ( L Pb) decreases with increasing CaO content ( 6 mass pct) irrespective of Fe/SiO2 ratio (1.4 to 1.7). However, the addition of alumina into a slag with Fe/SiO2 = 1.5 linearly decreases the L Pb, whereas a minimum value is observed at about 4 mass pct Al2O3 at Fe/SiO2 = 1.3. The log L Pb continuously decreases with increasing Fe/SiO2 ratio, and the addition of Al2O3 (5 to 15 mass pct) into the silica-saturated iron silicate slag (Fe/SiO2 < 1.0) yields the highest Pb distribution ratio. This is mainly due to a decrease in the FeO activity even at silica saturation. The log L Pb linearly decreases by increasing the log (Fe3+/Fe2+) value. The Pb distribution ratio increases and the excess free energy of PbO decreases with increasing Cu2O content in the slag. However, from the viewpoint of copper loss into the slag, the silica-saturated system containing small amounts of alumina is strongly recommended to stabilize PbO in the slag phase at a low Cu2O content. The lead capacity was defined in the current study and shows a linear correlation with the activity of FeO in a logarithmic scale, indicating that the concept of lead capacity is a good measure of absorption ability of Pb in iron silicate slags, and the activity of FeO can be a good basicity index in iron silicate slag.

  5. Formation of Si-Al-Mg-Ca-rich zoned magnetite in an end-Permian phreatomagmatic pipe in the Tunguska Basin, East Siberia

    NASA Astrophysics Data System (ADS)

    Neumann, Else-Ragnhild; Svensen, Henrik H.; Polozov, Alexander G.; Hammer, Øyvind

    2017-03-01

    Magma-sediment interactions in the evaporite-rich Tunguska Basin resulted in the formation of numerous phreatomagmatic pipes during emplacement of the Siberian Traps. The pipes contain magnetite-apatite deposits with copper and celestine mineralization. We have performed a detailed petrographic and geochemical study of magnetite from long cores drilled through three pipe breccia structures near Bratsk, East Siberia. The magnetite samples are zoned and rich in Si (≤5.3 wt% SiO2), Ca, Al, and Mg. They exhibit four textural types: (1) massive ore in veins, (2) coating on breccia clasts, (3) replacement ore, and (4) reworked ore at the crater base. The textural types have different chemical characteristics. "Breccia coating" magnetite has relatively low Mg content relative to Si, as compared to the other groups, and appears to have formed at lower oxygen fugacity. Time series analyses of MgO variations in microprobe transects across Si-bearing magnetite in massive ore indicate that oscillatory zoning in the massive ore was controlled by an internal self-organized process. We suggest that hydrothermal Fe-rich brines were supplied from basalt-sediment interaction zones in the evaporite-rich sedimentary basin, leading to magnetite ore deposition in the pipes. Hydrothermal fluid composition appears to be controlled by proximity to dolerite fragments, temperature, and oxygen fugacity. Magnetite from the pipes has attributes of iron oxide-apatite deposits (e.g., textures, oscillatory zoning, association with apatite, and high Si content) but has higher Mg and Ca content and different mineral assemblages. These features are similar to magnetite found in skarn deposits. We conclude that the Siberian Traps-related pipe magnetite deposit gives insight into the metamorphic and hydrothermal effects following magma emplacement in a sedimentary basin.

  6. Viscosity Measurement and Structure Analysis of Cr2O3-Bearing CaO-SiO2-MgO-Al2O3 Slags

    NASA Astrophysics Data System (ADS)

    Li, Qiuhan; Gao, Jintao; Zhang, Yanling; An, Zhuoqing; Guo, Zhancheng

    2017-02-01

    In this study, the effects of different Cr2O3 contents and optical basicity (denoted by Λ) on the viscosity and structure of the Cr2O3-bearing CaO-SiO2-MgO-Al2O3 slag were investigated. The viscosities of Cr2O3-bearing CaO-SiO2-MgO-Al2O3 slags in the liquid phase below 1823 K (1550 °C) were measured by rotating-cylinder method, and the structures of the slags were examined via Raman spectroscopy. Three different parameters were used to characterize the structures of the slags. The results showed that the viscosity of the slags increased as the Cr2O3 content increased, but decreased as Λ increased. The Cr3+ ions acted as network formers and increased the degree of polymerization (DOP), and thus, the addition of Cr2O3 to the slag increased the number of bridging oxygen atoms in the silicate structural units. Generally, the viscosity increased by increasing DOP. In addition, there was a linear inverse relationship between the viscous activation energy ( E μ ) and Λ. Furthermore, as the Cr2O3 content increased, the gradients of the plots of E μ vs Λ decreased. This indicates that for a slag with a high Cr2O3 content, trying to improve the fluidity of the slag by increasing Λ has a limited effect.

  7. Some thermodynamic properties of the Berman and Brown model for CaO-Al2O3-SiO2

    NASA Astrophysics Data System (ADS)

    Barron, Lawrence M.

    1986-12-01

    The BERMAN and BROWN (1984) excess free energy model (B&B) is extremely convenient to use in modelling multicomponent solutions. However, spinodal calculations reveal that their calibration of this model for CaO-Al2O3-SiO2 produces liquation tielines that do not appear to be in agreement with experimental work. In addition, their calibration contains some strongly negative excess entropy parameters and these permit a most unusual inverted liquation field to start at approximately >2115°C, wt% (SiO2, Al2O3, CaO) = (70, 16, 14). This inverted field expands rapidly to cover most of the ternary for T > 2300°C and continues to expand at all higher temperatures. The Berman and Brown calibration for this system carries these negative excess entropies of mixing because the solution model is very strongly asymmetric as a result of the use of normal oxide mole weights in modelling the configurational entropy of mixing. A suggestion is made for a fairly natural restriction on the relative sizes of empirical models for excess versus configurational entropy. Expressions are presented for the general consolute condition (all solution models) and for the second and third partials of the B&B Gx model.

  8. 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.

  9. 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

    2017-01-01

    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.

  10. Melting relations of hydrous pyrolite in CaO-MgO-Al2O3-SiO2-H2O System at the transition zone pressures

    NASA Astrophysics Data System (ADS)

    Litasov, Konstantin; Ohtani, Eiji; Taniguchi, Hiromitsu

    Phase relations and melt compositions in CaO-MgO-Al2O3-SiO2-pyrolite under hydrous (+2% of H2O) and anhydrous conditions have been determined at 13-20 GPa and 1600-2220°C. Liquidus and solidus temperatures for the hydrous system are about 50-100°C and 180-240°C lower than those for the dry system, respectively. Majorite is a liquidus phase of the hydrous pyrolite from 13 to 20 GPa. Olivine is a liquidus phase at 13 GPa and both periclase and majorite are the liquidus phases at 20 GPa in the dry pyrolite. We observed expansion of the stability field of anhydrous phase B in hydrous experiments. Compositions of partial melts at 13-20 GPa are generally similar in dry and hydrous systems, but hydrous melts contain more SiO2 at 13-17 GPa. The melts formed by low degree of melting have Al2O3-depleted and CaO-rich compositions. Trends of hydrous melt compositions are generally consistent with those of aluminum-depleted komatiite magmas.

  11. Thermodynamics of mixing in diopside jadeite, CaMgSi2O6 NaAlSi2O6, solid solution from static lattice energy calculations

    NASA Astrophysics Data System (ADS)

    Vinograd, Victor L.; Gale, Julian D.; Winkler, Björn

    2007-12-01

    Static lattice energy calculations (SLEC), based on empirical interatomic potentials, have been performed for a set of 800 different structures in a 2 × 2 × 4 supercell of C2/ c diopside with compositions between diopside and jadeite, and with different states of order of the exchangeable Na/Ca and Mg/Al cations. Excess static energies of these structures have been cluster expanded in a basis set of 37 pair-interaction parameters. These parameters have been used to constrain Monte Carlo simulations of temperature-dependent properties in the range of 273 2,023 K and to calculate a temperature composition phase diagram. The simulations predict the order disorder transition in omphacite at 1,150 ± 20°C in good agreement with the experimental data of Carpenter (Mineral Petrol 78:433 440, 1981). The stronger ordering of Mg/Al within the M1 site than of Ca/Na in the M2 site is attributed to the shorter M1 M1 nearest-neighbor distance, and, consequently, the stronger ordering force. The comparison of the simulated relationship between the order parameters corresponding to M1 and M2 sites with the X-ray refinement data on natural omphacites (Boffa Ballaran et al. in Am Mineral 83:419 433, 1998) suggests that the cation ordering becomes kinetically ineffective at about 600°C.

  12. Effects of Al substitution for Ca3Ta(Ga1-xAlx)3Si2O14 piezoelectric single crystals

    NASA Astrophysics Data System (ADS)

    Yokota, Yuui; Ohashi, Yuji; Kudo, Tetsuo; Kochurikhin, Vladimir V.; Medvedev, Andrey; Kurosawa, Shunsuke; Kamada, Kei; Yoshikawa, Akira

    2017-06-01

    Ca3Ta(Ga1-xAlx)3Si2O14 [CTGAS] material is a piezoelectric material belonging to the Langasite-type group (space group: P321).and the CTGAS single crystals (x=0, 0.25, 0.50, 0.75) with a diameter of 1 in. were grown by a Czochralski [Cz] method using an Ir crucible under Ar+2%O2. The CTGAS single crystals without any cracks could be grown using a CTGAS seed crystal in the x range of 0≤x≤0.75. Cell parameters, a and c, decrease while the a/c ratio increased with the Al concentration. Piezoelectric constant d11 and electromechanical coupling factor k12 for the X-cut specimens of the CTGAS single crystals were increased by the Al substitution.

  13. Dachiardite-K, (K2Ca)(Al4Si20O48) · 13H2O, a new zeolite from Eastern Rhodopes, Bulgaria

    NASA Astrophysics Data System (ADS)

    Chukanov, N. V.; Encheva, S.; Petrov, P.; Pekov, I. V.; Belakovskiy, D. I.; Britvin, S. N.; Aksenov, S. M.

    2016-12-01

    Dachiardite-K (IMA No. 2015-041), a new zeolite, is a K-dominant member of the dachiardite series with the idealized formula (K2Ca)(Al4Si20O48) · 13H2O. It occurs in the walls of opal-chalcedony veinlets cutting hydrothermally altered effusive rocks of the Zvezdel paleovolcanic complex near the village of Austa, Momchilgrad Municipality, Eastern Rhodopes, Bulgaria. Chalcedony, opal, dachiardite-Ca, dachiardite-Na, ferrierite-Mg, ferrierite-K, clinoptilolite-Ca, clinoptilolite-K, mordenite, smectite, celadonite, calcite, and barite are associated minerals. The mineral forms radiated aggregates up to 8 mm in diameter consisting of split acicular individuals. Dachiardite-K is white to colorless. Perfect cleavage is observed on (100). D meas = 2.18(2), D calc = 2.169 g/cm3. The IR spectrum is given. Dachiardite-K is biaxial (+), α = 1.477 (calc), β = 1.478(2), γ = 1.481(2), 2 V meas = 65(10)°. The chemical composition (electron microprobe, mean of six point analyses, H2O determined by gravimetric method) is as follows, wt %: 4.51 K2O, 3.27 CaO, 0.41 BaO, 10.36 A12O3, 67.90 SiO2, 13.2 H2O, total is 99.65. The empirical formula is H26.23K1.71Ca1.04Ba0.05Al3.64Si20.24O61. The strongest reflections in the powder X-ray diffraction pattern [ d, Å (I, %) (hkl)] are: 9.76 (24) (001), 8.85 (58) (200), 4.870 (59) (002), 3.807 (16) (202), 3.768 (20) (112, 020), 3.457 (100) (220), 2.966 (17) (602). Dachiardite-K is monoclinic, space gr. C2/m, Cm or C2; the unit cell parameters refined from the powder X-ray diffraction data are: a = 18.670(8), b = 7.511(3), c = 10.231(4) Å, β = 107.79(3)°, V= 1366(1) Å3, Z = 1. The type specimen has been deposited in the Earth and Man National Museum, Sofia, Bulgaria, with the registration number 23927.

  14. Pressure induced structural and density changes in Ca and Mg aluminosilicate glasses (MO/Al2O3≤1) recovered from 1-3 GPa: 27Al, 17O, 29Si MAS NMR and density

    NASA Astrophysics Data System (ADS)

    Bista, S.; Stebbins, J. F.

    2016-12-01

    Numerous studies have shown that at least in Na and K aluminosilicate melts and glasses, the presence of NBO facilitates the increase in Al coordination with pressure, for example albite and jadeite compositions show little structural change at 2-3 GPa. Much less is known about higher field strength cations such as Ca and Mg, despite their importance in mafic magmas. Therefore, in this study, we have studied several compositions of Ca and Mg aluminosilicate glasses with little to no NBO in the metaluminous and peraluminous regions. Our 27Al MAS NMR on the glasses recovered from high T and P show surprisingly rapid increases in average Al coordination with pressure, with the largest increases recorded in the Mg system. In Ca aluminosilicate glasses, the average Al coordination increase in peralkaline and peraluminous glasses follow a much more rapid rise compared to the metaluminous, although the metaluminous composition also shows a significant change in Al coordination unlike the Na aluminosilicate glasses of similar composition. In Mg aluminosilicate glasses, the average Al coordination increase in both peralkaline and metaluminous compositions are similar. Our study shows that the mechanism of the coordination increase with pressure is more complex than the simple consumption of NBO, especially with the high field strength and smaller size modifier cations like Mg. We also observed shifts in 29Si and 17O MAS NMR spectra suggesting increase in high coordinated Al neighbors, but these changes are harder to uniquely interpret.

  15. Kinetic and Thermodynamic Analysis of the Reduction of Oxides of Cu and Co in a SiO2-CaO-(Al,Fe)2O3 Slag

    NASA Astrophysics Data System (ADS)

    Hara, Yotamu Stephen Rainford; Jha, Animesh

    The investigation focuses on a low temperature recovery of Cu and Co from a 40 wt% SiO2-(30 wt%Fe,6 wt%Al)2O3-10wt% CaO-7wt%CuO-7wt%CoO slag over a temperature range of 1173K to 1323K. The alloy phases containing Cu-Co and Fe-Co alloy formed via the carbothermic reduction of oxides: MO + C = M + CO(g), where M represents metallic copper, cobalt or iron. In the direct reduction of oxides, the recovery of metallic phase was well below 90% at 1323K, due to the kinetic barrier which was analysed and attributed to oxygen and metal-ion transport in the slag. This barrier was overcome by adding CaSO4 and carbon, which yields a matte (MS) phase via MO + CaSO4 + 4C = MS + CaO + 4CO reaction. Lime thus produced in situ participates in metal oxide/metal sulphide reduction reactions, which are analysed with the help of X-ray powder diffraction, scanning electron microscopy, and thermogravimetric analysis.

  16. Synthesis and Luminescent Properties of CaSr(1-x)Al2SiO7:xEu3+ Phosphors for White Light-Emitting Diodes Applications.

    PubMed

    Hakeem, D A; Park, K

    2016-02-01

    CaSr(1-x)Al2SiO7:xEu3+ (0.01 < or = x < or = 0.12) red phosphors are prepared by the solid-state reaction method. The photoluminescence properties of the CaSr(1-x)Al2SiO7:xEu+ phosphors are studied as a function of Eu3+ content. The CaSr(1-x)Al2SiO7:xEu3+ phosphors form an orthorhombic structure with a space group of P2(1)2(1)2(1). The phosphors are effectively excited by 393 nm light. The emission spectra consist of several peaks at 575, 585, 616, 654, and 700 nm, which are attributed to the transitions from the excited 5Do to 7Fj (j = 0, 1, 2, 3, and 4) levels of Eu3+, respectively. The phosphors show intense red emission due to the 5Do --> (7)F2 transition of Eu3+. The strongest red emission is observed for the CaSr0.94Al2SiO7:0.06Eu3+ phosphor. This study proposes that the CaSr(1-x)Al2SiO7:xEu3+ red phosphors have a high potential for near ultraviolet-based white light-emitting diodes.

  17. Effect of ZrO2 on solubility and thermo-physical properties of CaO-Al2O3-SiO2 glass system

    NASA Astrophysics Data System (ADS)

    Goswami, Madhumita; Patil, Aparna; Kothiyal, G. P.

    2013-02-01

    Glasses with compositions (40-x)CaO-15Al2O3-45SiO2-xZrO2, where 0<×<10 were prepared by melting at 1400°C for 10h. Upto 8 mol.% of ZrO2 found soluble in this glass at 1400°C whereas 10 mol. % ZrO2 could not melted at 1400°C in this glass and remelted at 1500°C. Thermal analysis results showed decrease in thermal expansion coefficient value from 8.84 to 7.34 × 10-6/°C and increased in glass transition temperature from 783 to 813°C indicating improved thermal properties of these glasses with addition of ZrO2. Microhardness of the sample found to increase from 552 to 654 kg/mm2 with increase in ZrO2 concentration. Sample with 4ZrO2 on heat treatment at Tc, showed formation of CaSiO3 as major phase along with anorthite phase as minor phase with a large amount of residual glassy phase.

  18. Hydrothermal origin of hexagonal CaAl2Si2O8 (dmisteinbergite) in a compact type A CAI from the Northwest Africa 2086 CV3 chondrite

    NASA Astrophysics Data System (ADS)

    Fintor, Krisztian; Park, Changkun; Nagy, Szabolcs; Pál-Molnár, Elemér; Krot, Alexander N.

    2014-05-01

    We report an occurrence of hexagonal CaAl2Si2O8 (dmisteinbergite) in a compact type A calcium-aluminum-rich inclusion (CAI) from the CV3 (Vigarano-like) carbonaceous chondrite Northwest Africa 2086. Dmisteinbergite occurs as approximately 10 μm long and few micrometer-thick lath-shaped crystal aggregates in altered parts of the CAI, and is associated with secondary nepheline, sodalite, Ti-poor Al-diopside, grossular, and Fe-rich spinel. Spinel is the only primary CAI mineral that retained its original O-isotope composition (Δ17O ~ -24‰); Δ17O values of melilite, perovskite, and Al,Ti-diopside range from -3 to -11‰, suggesting postcrystallization isotope exchange. Dmisteinbergite, anorthite, Ti-poor Al-diopside, and ferroan olivine have 16O-poor compositions (Δ17O ~ -3‰). We infer that dmisteinbergite, together with the other secondary minerals, formed by replacement of melilite as a result of fluid-assisted thermal metamorphism experienced by the CV chondrite parent asteroid. Based on the textural appearance of dmisteinbergite in NWA 2086 and petrographic observations of altered CAIs from the Allende meteorite, we suggest that dmisteinbergite is a common secondary mineral in CAIs from the oxidized Allende-like CV3 chondrites that has been previously misidentified as a secondary anorthite.

  19. An internally consistent set of thermodynamic data for twentyone CaO-Al2O3-SiO2- H2O phases by linear parametric programming

    NASA Astrophysics Data System (ADS)

    Halbach, Heiner; Chatterjee, Niranjan D.

    1984-11-01

    The technique of linear parametric programming has been applied to derive sets of internally consistent thermodynamic data for 21 condensed phases of the quaternary system CaO-Al2O3-SiO2-H2O (CASH) (Table 4). This was achieved by simultaneously processing: a) calorimetric data for 16 of these phases (Table 1), and b) experimental phase equilibria reversal brackets for 27 reactions (Table 3) involving these phases. Calculation of equilibrium P-T curves of several arbitrarily picked reactions employing the preferred set of internally consistent thermodynamic data from Table 4 shows that the input brackets are invariably satisfied by the calculations (Fig. 2a). By contrast, the same equilibria calculated on the basis of a set of thermodynamic data derived by applying statistical methods to a large body of comparable input data (Haas et al. 1981; Hemingway et al. 1982) do not necessarily agree with the experimental reversal brackets. Prediction of some experimentally investigated phase relations not included into the linear programming input database also appears to be remarkably successful. Indications are, therefore, that the thermodynamic data listed in Table 4 may be used with confidence to predict geologic phase relations in the CASH system with considerable accuracy. For such calculated phase diagrams and their petrological implications, the reader's attention is drawn to the paper by Chatterjee et al. (1984).

  20. Modelling Equilibrium and Fractional Crystallization in the System MgO-FeO-CaO-Al2O3-SiO2

    NASA Technical Reports Server (NTRS)

    Herbert, F.

    1985-01-01

    A mathematical modelling technique for use in petrogenesis calculations in the system MgO-FeO-CaO-Al2O3-SiO2 is reported. Semiempirical phase boundary and elemental distribution information was combined with mass balance to compute approximate equilibrium crystallization paths for arbitrary system compositions. The calculation is applicable to a range of system compositions and fractionation calculations are possible. The goal of the calculation is the computation of the composition and quantity of each phase present as a function of the degree of solidification. The degree of solidification is parameterized by the heat released by the solidifying phases. The mathematical requirement for the solution of this problem is: (1) An equation constraining the composition of the magma for each solid phase in equilibrium with the liquidus phase, and (2) an equation for each solid phase and each component giving the distribution of that element between that phase and the magma.

  1. On formation of CaO-Al(2)O(3)-SiO2 glass-ceramics by vitrification of incinerator fly ash.

    PubMed

    Cheng, T W; Chen, Y S

    2003-06-01

    CaO-Al(2)O(3)-SiO(2) system glass ceramics of incinerator fly ash have been prepared by vitrification and then heat-treated in different conditions. The thermal molten process (TMP) was applied to heat treat vitrified samples at high temperatures whereas in the powder sintering process water-quenched vitrified samples were ground into powder and then sintered at high temperatures. Gehlenite was found present as the major phase in all treated samples. Treated samples in general exhibited good leachability characteristics as well as chemical durability, except in the HCl solution. Microstructure and physical properties varied with the treatment condition. Fine and relatively high dense structures with desirable properties were obtained for samples treated by the TMP. For both processes, higher temperature treatments caused crystal growth and thus poor properties were attained. Good physical and mechanical properties achieved at 900-950 degrees C in this study imply the treated samples have attractive potential for engineering applications.

  2. Highly improved reliability of amber light emitting diode with Ca -α-SiAlON phosphor in glass formed by gas pressure sintering for automotive applications.

    PubMed

    Yoon, Chang-Bun; Kim, Sanghyun; Choi, Sung-Woo; Yoon, Chulsoo; Ahn, Sang Hyeon; Chung, Woon Jin

    2016-04-01

    Phosphor in glass (PiG) with 40 wt% of Ca-α-SiAlON phosphor and 60 wt% of Pb-free silicate glass was synthesized and mounted on a high-power blue LED to make an amber LED for automotive applications. Gas pressure sintering was applied after the conventional sintering process was used to achieve fully dense PiG plates. Changes in photoluminescence spectra and color coordination were inspected by varying the thickness of the plates that were mounted after optical polishing and machining. A trade-off between luminous flux and color purity was observed. The commercial feasibility of amber PiG packaged LED, which can satisfy international regulations for automotive components, was successfully demonstrated by examining the practical reliability under 85% humidity at an 85°C condition.

  3. A Structural Study on the Foaming Behavior of CaO-SiO2-MO (MO = MgO, FeO, or Al2O3) Ternary Slag System

    NASA Astrophysics Data System (ADS)

    Park, Youngjoo; Min, Dong Joon

    2017-08-01

    The foaming index of the CaO-SiO2-MO (MO = MgO, FeO, or Al2O3) ternary slag system with a fixed CaO/SiO2 ratio is measured to understand the effect of the ionic structure. At 1773 K (1500 °C), the foaming index of the slag increases with Al2O3 addition and decreases with MgO or FeO addition at a fixed CaO/SiO2 ratio. It is verified that the previous correlation between the foaming index and the physical properties could also be valid for the CaO-SiO2-(MgO or Al2O3) system. Raman spectroscopy for the CaO/SiO2 = 1.0 slag is applied to explain the foaming behavior from an ionic structural perspective. From the ionic structural viewpoint, the fractional change in each silicate anion unit is identified by de-convoluted Raman spectra. The Raman spectra indicate that the silicate network structure is polymerized with Al2O3 as an aluminosilicate structure; in contrast, de-polymerization occurs by MgO or FeO addition. Furthermore, the relationship between the silicate structure and the thermodynamic stability function is discussed. Since the ionic structure of the molten slag affects various physical/thermodynamic properties, the foaming behavior could be successfully interpreted from the ionic structural viewpoint.

  4. Activities of MnO in CaO-SiO2-Al2O3-MnO (<10 Pct)-FetO(<3 pct) slags saturated with liquid iron

    NASA Astrophysics Data System (ADS)

    Ohta, Hiroki; Suito, Hideaki

    1995-04-01

    Activity coefficients of MnO and Fe,0 in CaO-SiO2-Al2O3-MnO(<10 mass pct)-Fe,O(<3 mass pct) slags were determined at 1873 K in an Al2O3 or CaO crucible by using the reported values for the activities of Al2O3 and SiO2 or the analyzed contents of oxygen. The activity coefficients of MnO and FetO were found to be constant in the studied concentration range of MnO and FetO. The former increased with an increase in the CaO content, while the latter increased with an increase in the SiO2 content.

  5. Evaluation of Existing Viscosity Data and Models and Developments of New Viscosity Model for Fully Liquid Slag in the SiO2-Al2O3-CaO-MgO System

    NASA Astrophysics Data System (ADS)

    Han, Chen; Chen, Mao; Zhang, Weidong; Zhao, Zhixing; Evans, Tim; Zhao, Baojun

    2016-10-01

    Metallurgical properties of slag are determined to a great extent by its viscosity. High-temperature viscosity measurements are time-consuming and expensive. It is necessary to develop an accurate viscosity model for blast furnace slag in the SiO2-Al2O3-CaO-MgO system using reliable viscosity data. This paper describes a systemic evaluation procedure to determine the viscosity data to be used for model development. 1780 viscosity data from 10 to 65 wt pct SiO2, 3.5 to 40 wt pct Al2O3, 2 to 60 wt pct CaO, and 2 to 38 wt pct MgO in the SiO2-Al2O3-CaO-MgO system have been accepted for model evaluation after critical reviews. The existing 14 viscosity models in SiO2-Al2O3-CaO-MgO system is also reviewed and evaluated. Based on the structure of alumina-silicate slag and evaluated viscosity data, a new viscosity model has been proposed for the system SiO2-Al2O3-CaO-MgO. A new term "probability," based on the basic oxide and electronegativity, is introduced to calculate the integral activation energy of slag. The model has been evaluated and compared with existing viscosity models in three different composition ranges in SiO2-Al2O3-CaO-MgO system for different applications. The new model reports an outstanding agreement between predictions and experimental data. The industrial implications of the new model have also been discussed in ironmaking and steelmaking processes.

  6. Structure and Crystallization Kinetics of Glassy CaO-Al2O3-SiO2-CaF2-Na2O Mold Fluxes with Varying Basicity

    NASA Astrophysics Data System (ADS)

    Li, Jiangling; Yan, Baijun; Shu, Qifeng; Chou, Kuochih

    2015-12-01

    The structure and the crystallization kinetics of CaO-Al2O3-SiO2-CaF2-Na2O mold fluxes with varying basicities were investigated by solid-state 29Si nuclear magnetic resonance with magic angular spinning (MAS-NMR) and differential thermal analysis (DTA) technique, respectively. 29Si MAS-NMR study indicated that the increase of basicity decreased the degree of polymerization of mold fluxes. With the increasing basicity, Q 0, Q 2, and Q 3 gradually decreased, while Q 1 gradually increased, and the overall degree of polymerization was reduced. Crystallization analysis showed the cuspidine first crystallized from glass, and wollastonite crystal crystallized at elevated temperature for the samples with basicity (defined as CaO/SiO2 mass ratio) values of 0.9 and 1.0, respectively. Only cuspidine was found to crystallize from glass for the samples with basicity values of 1.1 and 1.2, indicating that the crystallization of wollastonite was suppressed with the increase of basicity. Crystallization kinetics analysis by DTA and field emission scanning electron microscopy equipped with energy dispersive spectroscopy investigation showed that growth mechanism of cuspidine is mainly of the diffusion-controlled three-dimensional growth with the increasing number of nuclei during heating. Activation energies for growth of cuspidine decreased with the increasing basicity of mold flux, which indicated that the crystallization ability was enhanced with the increase of basicity. The relationship between structure and crystallization of mold fluxes was established.

  7. Phase Equilibria Studies in the System ZnO-``FeO''-Al2O3-CaO-SiO2 Relevant to Imperial Smelting Furnace Slags: Part II

    NASA Astrophysics Data System (ADS)

    Zhao, Baojun; Hayes, Peter C.; Jak, Evgueni

    2010-04-01

    The phase equilibria and the liquidus temperatures in the system ZnO-“FeO”-Al2O3-CaO-SiO2 have been determined experimentally in equilibrium with metallic iron. Specifically, the effects of Al2O3 concentrations in Imperial Smelting Furnace slags are identified, and the results are presented in the form of pseudo-ternary sections ZnO-“FeO”-(Al2O3 + CaO + SiO2) in which CaO/SiO2 = 0.93 and (CaO + SiO2)/Al2O3 = 5.0 and 3.5, respectively. It was found that, in the presence of Al2O3, the spinel phase is formed, the spinel primary phase field expands, and the wustite and melilite primary phase fields are reduced in size with an increasing Al2O3 concentration. The implications of the findings to industrial practice are discussed.

  8. A Crystal Chemical Investigation of Armenite, BaCa2Al6Si9O30·H2O: The Behavior of Extra Framework Ca Cations and H2O Molecules in Microporous Silicates

    NASA Astrophysics Data System (ADS)

    Geiger, C. A.; Gatta, G. D.; Xue, X.; McIntyre, G. J.

    2012-04-01

    The crystal chemistry of armenite, ideally BaCa2Al6Si9O30·H2O, from Wasenalp, Valais, Switzerland was studied. Armenite typically forms in relatively low-temperature hydrothermal veins and fissures and has small pores containing Ca cations and H2O molecules as extra-framework species. Single-crystal neutron and X-ray diffraction measurements were made on armenite from Wasenalp for the first time. IR powder spectroscopic measurements were made from room temperature (RT) down to 10 K. 1H and 29Si NMR measurements were made at RT. Attention was given to investigating the behavior of the extra-framework species and hydrogen bonding. The neutron results also give the first static description of the protons, allowing bond distances and angles relating to the H2O molecules and H-bonds to de determined. The diffraction results indicate complete Al-Si order in the framework and four crystallographically independent Ca and H2O molecule sites. Both sites appear to have partial occupancies such that locally a Ca atom can have only a single H2O molecule bonded to it through an ion-dipole interaction. The Ca cation is further bonded to six O atoms of the framework forming a quasi cluster. The IR spectrum of armenite is characterized in the OH-stretching region at RT by two broad bands at roughly 3470 and 3419 cm-1 and by a single H2O bending mode at 1654 cm-1 and four intense OH bands at 10 K. The 1H MAS spectra contain a single main resonance near 5.3 ppm and a smaller one near 2.7 ppm. The extra-framework "Ca-oxygen-anion-H2O-molecule quasi-clusters" and the nature of H-bonding in the microporous zeolites scolecite, wairakite and epistilbite were also analyzed. The average OH stretching wavenumbers shown by the IR spectra of armenite and scolecite are, for example, not far removed from that observed in liquid H2O, but greater than that of ice. What remains poorly understood in microporous silicates is how the ion-dipole interaction in quasi clusters affects H-bonding strength

  9. Photoluminescence properties and application of yellow Ca0.65Si10Al2O0.7N15.3:xEu2+ phosphors for white LEDs

    NASA Astrophysics Data System (ADS)

    Wang, Baochen; Liu, Yangai; Chen, Jian; Mi, Ruiyu; Xia, Yufei; Huang, Zhaohui; Fang, Minghao; Mei, Lefu

    2017-02-01

    A series of yellow-emitting oxynitride Ca0.65Si10Al2O0.7N15.3:xEu2+ phosphors with α-sialon structure were synthesized. The phase composition and crystal structure were identified by X-ray diffraction and the Rietveld refinement. The excitation and emission spectra, reflectance spectra and thermal stability were investigated in detail, respectively. Results show that Ca0.65Si10Al2O0.7N15.3:0.12Eu2+ phosphors can be efficiently excited by UV-Vis light in the broad range of 290-450 nm and exhibit broad emission spectra peaking at 550-575 nm. The concentration quenching mechanism are discussed in detail and determined to be the dipole-dipole interaction. When the temperature increased to 150 °C, the emission intensity of Ca0.65Si10Al2O0.7N15.3:0.12Eu2+ phosphor is 88.46% of the initial value at room temperature. White LED was fabricated with N-UV LED chip combined with blue Ca3Si2O4N2:Ce3+ and yellow Ca0.65Si10Al2O0.7N15.3:Eu2+ phosphors. The color rendering index and correlated color temperature of this white LED were measured to 78.94 and 6728.12 K, respectively. All above results demonstrate that the as-prepared Ca0.65Si10Al2O0.7N15.3:xEu2+ may serve as a potential yellow phosphor for N-UV w-LEDs.

  10. A double substitution induced Ca(Mg0.8, Al0.2)(Si1.8, Al0.2)O6:Eu(2+) phosphor for w-LEDs: synthesis, structure, and luminescence properties.

    PubMed

    Li, Yang; Liu, Wenjing; Wang, Xicheng; Zhu, Ge; Wang, Chuang; Wang, Yuhua

    2015-08-07

    A double substitution induced blue-emitting phosphor Ca(Mg0.8, Al0.2)(Si1.8, Al0.2)O6:Eu(2+) (CMAS:Eu(2+)) was successfully synthesized by a solid-state reaction process, and its structure and luminescence properties were investigated in detail. The crystal structure and chemical composition of the CMAS matrix were analyzed and determined based on Rietveld refinements and Energy Dispersive Spectroscopy (EDS). The composition-optimized CMAS:Eu(2+) exhibited a strong blue light, centered at 446 nm upon excitation at 365 nm with the Commission Internationale de L'Eclairage (CIE) coordinates of (0.144, 0.113). Under 380 nm excitation, the PL emission intensity area of the optimized phosphor was found to be 46.95% of that of the commercial BaMgAl10O17:Eu(2+) (BAM:Eu(2+)) phosphor and the quantum efficiency of the phosphor is 41.32%. The temperature-dependent PL studies have been investigated which show the thermal stability of the CMAS:Eu(2+) phosphor compared with that of the CaMgSi2O6:Eu(2+) (CMS:Eu(2+)) phosphor.

  11. 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.

  12. Effects of MgO and Al2O3 Addition on Redox State of Chromium in CaO-SiO2-CrO x Slag System by XPS Method

    NASA Astrophysics Data System (ADS)

    Wang, Li-jun; Yu, Ji-peng; Chou, Kuo-chih; Seetharaman, Seshadri

    2015-08-01

    The effects of MgO and Al2O3 on the redox state of chromium in CaO-SiO2-CrO x system have been investigated at 1873 K (1600 °C) under Ar-CO-CO2 atmosphere and analyzed by means of X-ray photoelectron spectroscopy. From the analysis of the Cr 2p core level spectra, it was found that both Cr(II) and Cr(III) exist simultaneously in CaO-MgO/Al2O3-SiO2-CrO x , and the quantitative ratio Cr(II)/Cr(III) has been obtained by deducing from the area under the computer-resolved peaks. Substitutions of CaO by MgO, SiO2 by Al2O3 favored the Cr(II) state existing in the system in the composition ranges of 3 to 10 wt pct MgO and 5 to 20 pct Al2O3. Meanwhile, from the analysis of the O1s spectra in CaO-MgO-SiO2-CrO x , it was found that the ratio of the non-bridging oxygen content increased first due to the CrO contribution to the electron distribution uniformly as O- at MgO low content. Afterward, it went to decreasing with continuing addition of MgO because ionic contribution of MgO is less than that of CaO and the influence of the CrO clustering on the non-Bridging oxygen is limited due to only 5 wt pct CrO x . In CaO-Al2O3-SiO2-CrO x system, Cr(II) acts as a network modifier to compensate Al3+ charge balance to make the structure stable, so the non-bridge oxygen in this system continues decreasing.

  13. Influences of CaO on Crystallization, Microstructures, and Properties of BaO-Al2O3-B2O3-SiO2 Glass-Ceramics

    NASA Astrophysics Data System (ADS)

    Li, Bo; Tang, Bo; Xu, Mingjiang

    2015-10-01

    We have developed BaO-CaO-Al2O3-B2O3-SiO2 glass-ceramics with high thermal coefficient of expansion (TCE) to overcome thermal mismatch at board level. The crystalline phases include quartz (major), cristobalite (minor), and bazirite BaZrSi3O9 (minor). Calculations from whole-pattern fitting show that the crystallinity varies slightly within the range of 33.48% to 34.89%, while the mass fraction of the phases changes remarkably with the CaO content. This indicates that CaO cannot promote crystallization of Ba-Al-B-Si glass, but effectively suppresses the phase transformation from quartz to cristobalite, making the thermal expansion curves linear. An empirical equation for the TCE versus the temperature and the amount of CaO is established. Furthermore, the densification mechanism of Ca modifiers is revealed. Due to its higher field strength than Ba, substitution of Ca increases the glass viscosity and inhibits ion diffusion. Excessive CaO is thus harmful to the density, bending strength, and electrical properties. The sample with 10 wt.% CaO sintered at 950°C exhibited high bending strength (154.1 MPa) and high TCE (12.38 ppm/°C) as well as good electrical properties ( ɛ = 6.2, tan δ = 5 × 10-4, ρ = 3.8 × 1012 Ω cm).

  14. Activity of MnO in MnO-CaO-SiO2-Al2O3-MgO Molten Slags

    NASA Astrophysics Data System (ADS)

    Yan, Baijun; Chen, Xuexin; Tao, Jun

    2017-04-01

    The activities of MnO in the MnO-CaO-SiO2-Al2O3 (10, 20, and 30 mass pct)-MgO (5 mass pct) melts at 1873 K (1600 °C) were measured by equilibrating the melts with liquid copper under an oxygen partial pressure controlled by CO/CO2 gas mixture with a volume ratio of 99/1. Over the investigated composition range, MnO shows a negative deviation from Raoultian behavior. On the basis of the experimental data, the activity coefficient of MnO in this multicomponent melts was evaluated using the following quadratic formalism based on regular solution model: RT ln {γ_{{{MnO}}({{s}})}} = \\sum\\limits_j {{α_{ij}}x_j^2} + \\sum\\limits_j {\\sum\\limits_k {( {{α_{ij}} + {α_{ik}} - {α_{jk}}}){x_j}{x_k} + I{^' } . The values of the conversion factor, I', for the melts containing 10, 20, and 30 mass pct Al2O3 were determined to be 6950, 2715, and 12092 J/mol, respectively. Iso-activity contours for MnO in the five component system were calculated using the quadratic formalism, and they showed a good agreement with the experimental data.

  15. Interlayer states arising from anionic electrons in the honeycomb-lattice-based compounds A e AlSi (A e =Ca , Sr, Ba)

    NASA Astrophysics Data System (ADS)

    Lu, Yangfan; Tada, Tomofumi; Toda, Yoshitake; Ueda, Shigenori; Wu, Jiazhen; Li, Jiang; Horiba, Koji; Kumigashira, Hiroshi; Zhang, Yaoqing; Hosono, Hideo

    2017-03-01

    We report that the interlayer states common to the compounds A e AlSi (A e =Ca , Sr, Ba) arise from F-center-like electrons arrayed in periodic cavities. The SrPtSb-type intermetallic phases exhibit electrons localized to columns of the trigonal bipyramidal A e3A l2 cages running perpendicular to the honeycomb layers. Ab initio calculations in combination with hard/soft x-ray photoemission spectroscopic measurements reveal that these features correspond to the anionic electrons that hybridize with apical Al 3 pz orbitals from the honeycomb layers above and below. Extra bands with a significant dispersion along the kz direction therefore contribute to the Fermi level in contrast to the apparent two-dimensional connectivity of the bonding in the compounds, and completely account for the presence of interlayer states. Our study demonstrates how the cage centers may serve as electronically important crystallographic sites, and extend the anionic electron concept into honeycomb lattice compounds.

  16. Activity of MnO in MnO-CaO-SiO2-Al2O3-MgO Molten Slags

    NASA Astrophysics Data System (ADS)

    Yan, Baijun; Chen, Xuexin; Tao, Jun

    2016-12-01

    The activities of MnO in the MnO-CaO-SiO2-Al2O3 (10, 20, and 30 mass pct)-MgO (5 mass pct) melts at 1873 K (1600 °C) were measured by equilibrating the melts with liquid copper under an oxygen partial pressure controlled by CO/CO2 gas mixture with a volume ratio of 99/1. Over the investigated composition range, MnO shows a negative deviation from Raoultian behavior. On the basis of the experimental data, the activity coefficient of MnO in this multicomponent melts was evaluated using the following quadratic formalism based on regular solution model: RT ln {γ_{MnO(s)} = sumlimits_j {{α_{ij}}x_j^2} + sumlimits_j {sumlimits_k {( {{α_{ij}} + {α_{ik}} - {α_{jk}}}){x_j}{x_k} + I{^' } . The values of the conversion factor, I', for the melts containing 10, 20, and 30 mass pct Al2O3 were determined to be 6950, 2715, and 12092 J/mol, respectively. Iso-activity contours for MnO in the five component system were calculated using the quadratic formalism, and they showed a good agreement with the experimental data.

  17. Ca, Mg, Fe, Si, Al, and Na in the Massive, Metal-Rich, Dust-Enshrouded, DAZ White Dwarf GD 362

    NASA Astrophysics Data System (ADS)

    Melis, C.; Koester, D.; Zuckerman, B.; Rich, R. M.; Hansen, B.; Kalirai, J.

    2006-06-01

    GD362 presents the greatest number of atomic species ever documented in a hydrogen atmosphere white dwarf. Our spectroscopy with Keck I (LRIS; 4 Å red, 2 Å blue resolution) and KECK II (ESI, 0.5 Å resolution) covers the wavelengths 3100-7400 Å and 3850-11,000 Å , respectively; in these ranges we identify lines from H, Mg, Fe, Si, Al, Ca, and Na. Preliminary analysis of the spectra yields photospheric abundances for Mg, Fe, Si, and Al in about the solar ratio relative to each other and a few times below solar relative to hydrogen. Relative to the abundance of these four metals, the calcium (sodium) abundance is about a factor of 10 larger (smaller) in GD 362 than it is in the Sun. We do not detect oxygen in GD362. From this we derive a limit on its abundance by number at least 104 times below that of hydrogen. Tentatively, we derive from atmospheric models a surface gravity of log g ˜ 9.00 for GD362 (whose effective temperature is 9740 K). D1 and D2 sodium lines in the ESI spectrum are seen both from the stellar photosphere (broad and deep) and, probably, from the interstellar medium (narrow and weaker). However, GD362 emits mid-infrared flux in excess of its photospheric emission. The excess is due to a dusty disk located beyond ˜ 10 stellar radii. Thus, we cannot presently rule out circumstellar sodium as the carrier of the narrow feature. This research was supported in part by NASA's Astrobiology Institute and other NASA grants to UCLA.

  18. Rheology and Structure of Chlorine, Fluorine and Water-Bearing Na2O-CaO-Al2O3-SiO2 Melts

    NASA Astrophysics Data System (ADS)

    Baasner, A.; Schmidt, B.; Webb, S. L.; Dupree, R.

    2012-12-01

    The effect of chlorine (Cl), fluorine (F) and water (H2O), alone and in combination, on the rheology and structure of synthetic peralkaline Na2O-CaO-Al2O3-SiO2 melts as an analog for highly evolved alkaline melts is investigated. We also investigated a peraluminous counterpart to study how the effect of Cl and F depends on the (Na+Ca)/Al ratio. The volatile-free melts were produced from oxide and carbonate powders at 1 atm and temperatures between 1200 and 1650 °C. Amounts of 0.5 to 1.3 mol% of Cl and 0.5 to 18 mol% F were added as NH4Cl, NH4F, NaCl, NaF, CaCl2 and CaF2. The composition of the samples was analysed by electron microprobe. The melts were hydrated with 0.5 to 4 wt% H2O. For the hydration of the peralkaline melts we used an internally heated pressure vessel at 1200 to 1250 °C and 1.5 to 3 kbar. Because of their high liquidus temperatures, the peraluminous melts were hydrated at 1600 to 1675°C and 5 kbar in a piston cylinder apparatus. Water contents were determined by Karl-Fischer-titration, thermogravimetry and IR-spectroscopy. The viscosities of the dry and hydrous peralkaline and peraluminous melts were measured with micropenetration and parallel plate techniques between 13 log10(Pa s) and 5.5 log10(Pa s). We found that the addition of 1.1 mol% Cl to peralkaline melts increased the viscosity by 0.8 log10(Pa s) while 1.9 mol% F decreased the viscosity by 1.2 log10(Pa s) relative to a viscosity of 12 log10(Pa s) of the halogen-free melt. In peralkaline melts containing equal amounts of both, Cl and F, the viscosity is 0.5 log10(Pa s) lower than the volatile-free melt, independent of the total amount of halogens. The effects of Cl and F seem to buffer each other. If there is twice as much F in the melt as Cl, the viscosity is reduced by 0.7 log10(Pa s). In peraluminous melts containing Cl and F the viscosity decreases with increasing volatile content independent of the ratio between the two volatiles. The addition of H2O decreases the viscosity of

  19. Crystal structure of a methylamine sorption complex of fully dehydrated fully Ca2+ -exchanged zeolite X, |Ca46(CH3NH2)16|[Si100Al92O384]-FAU.

    PubMed

    Jeong, Gyoung Hwa; Kim, Yang; Seff, Karl

    2004-10-12

    The structure of a methylamine sorption complex of fully dehydrated fully Ca2+-exchanged zeolite X, |Ca46(CH3NH2)16|[Si100Al92O384]-FAU, has been determined in the cubic space group Fd3 at 21(1) degrees C (a = 24.994(4) angstroms) by single-crystal X-ray diffraction techniques. The crystal was prepared by ion exchange in a flowing stream of 0.05 M aqueous Ca(NO3)2 for 3 days, followed by dehydration at 480 degrees C and 2 x 10(-6) Torr for 2 days, and exposure to 160 Torr of zeolitically dry methylamine gas at 21(1) degrees C. The structure was determined in this atmosphere and was refined, using the 739 reflections for which I > 0, to the final error indices R1 = 0.152 and R2 = 0.061. In this structure, Ca2+ ions occupy three crystallographic sites. Sixteen Ca2+ ions fill the octahedral site at the centers of hexagonal prisms (Ca-O = 2.429(7) angstroms). The remaining 30 Ca2+ ions are found at two nonequivalent sites II (in the supercages) with occupancies of 14 and 16 ions. Each of these Ca2+ ions coordinates to three framework oxygens, either at 2.296(7) or 2.334(7) angstroms, respectively. Sixteen methylamine molecules have been sorbed per unit cell, two per supercage. Each coordinates to one of the latter 16 site-II Ca2+ ions: N-Ca = 2.30(9) angstroms. The imprecisely determined N-C bond length, 1.48(23) angstroms, differs insignificantly from that in methylamine(g), 1.474(5) angstroms. The positions of the hydrogen atoms were calculated. One of the amino hydrogen atoms hydrogen bonds to a 6-ring oxygen, and the other forms a bifurcated hydrogen bond to two other 6-ring oxygens. The methyl group does not hydrogen bond to anything. Copyright 2004 American Chemical Society

  20. Basalt evolution at low pressure: implications from an experimental study in the system CaO-FeO-MgO-Al2O3-SiO2

    NASA Astrophysics Data System (ADS)

    Shi, Ping

    1992-04-01

    New experiments have been performed in the system CaO+MgO+Al2O3+SiO2 (CMAS)+FeO at atmospheric pressure. Most of the experiments were conducted on Fe-rich compositions, in the low-temperature field of the assemblage liq(liquid)+an(anorthite) +aug(augite)+ol(olivine), and mostly along five isotherms. Others were located on, or nearby the assemblage boundaries. These experiments, together with the previously reported high temperature experiments (Shi and Libourel 1991; Libourel et al. 1989), permit contouring the complete liq+an+aug+ol divariant field, and tracing out some of its boundaries. The boundary of the assemplage liq+an+aug+ol consists of six segments, with the appearance of one of the following phases, orthopyroxene, pigeonite, tridymite, bustamite, kirschsteinite, and spinel, as an additional phase. Within the stability field of the assemblage liq+an+aug+ol, the compositions of all the coexisting phases have been described as functions of temperature and silica content in the melt by applying a multiple linear regression method. This allows a quantitative characterization of the divariant assemblage liq+an+aug+ol in the system CMAS+FeO, from 1273°C to 1055°C, with olivine compositions ranging from Mg*[Mg/(Mg+Fe)]=1 to 0.08. Knowing the composition-temperature relationships, the basic T-X configuration of the assemblage liq+an +aug+ol has been analysed, and mass-balance calculations have been performed to examine the FeO effect on different crystallization processes. Addition of FeO to the system CMAS transforms the thermal divide in the assemblage liq+an+di(diopside)+fo(forsterite) into a thermal ridge. With decreasing temperature, the spine of the thermal ridge moves towards Si-poor compositions at Mg-rich end but towards Si-rich compositions at the Fe-rich end. This indicates that late-stage tholeiitic liquids can follow a trend of silica enrichment without the crystallization of an oxide phase. Crystallization paths of the assemblage liq+an+aug+ol are

  1. Thermodynamic simulation on mineralogical composition of CaO-SiO2-Al2O3-MgO quaternary slag system.

    PubMed

    Liu, Chao; Zhang, Yu-Zhu; Li, Jie; Li, Jun-Guo; Kang, Yue

    2016-01-01

    It is necessary to elucidate the crystallization thermodynamic of mineralogical phases during the cooling process of the molten BFS with different chemical composition, because the high-melting point mineral phase maybe crystallized during the fiber forming and thereafter cooling process. Thermodynamic calculation software FactSage6.4 and the hot remelting experiments were performed to explore the influence of basicity, Al2O3 content and MgO content on the crystallization of mineralogical components and their transformation. The results showed that the main mineralography of the CaO-SiO2-Al2O3-MgO quaternary slag system was melilite, and a certain amount of anorthite and calcium metasilicate. The crystallographic temperature of melilite is increased with the increasing of basicity, MgO and Al2O3 content, which has a significant impact on the utilization performance of the mineral wool prepared with the hot blast furnace slag directly. With the increasing of basicity, there was a tendency that crystallographic amount of melilite increased to the summit and then declined, while the amount of anorthite and calcium metasilicate decreased consistently. Finally, these two mineralogical components could be replaced by magnesium rhodonite and spinel with the increasing of basicity. When the basicity and MgO content were 1.0 and 9 %, the crystallographic mass ratio of melilite and anorthite increased, while that of calcium silicate declined, and replaced by spinel finally with the increasing of Al2O3 content. When the basicity and Al2O3 content were 1.0 and 13 %, the crystallographic mass ratio of melilite increased, while that of anorthite and calcium silicate declined, and replaced by pyroxene and spinel with the increasing of MgO content. To decline fiberization temperature of the melt BFS, the basicity, MgO and Al2O3 content should be decreased during the modification process of chemical composition, because the crystallization temperature of the primary crystalline

  2. An Investigation of Armenite, BaCa2Al6Si9O302H2O.H2O Molecules and H Bonding in Microporous Silicates

    NASA Astrophysics Data System (ADS)

    Geiger, C. A.; Gatta, G.; Xue, X.; McIntyre, G.

    2012-12-01

    The crystal chemistry of armenite, ideally BaCa2Al6Si9O30.2H2O, a double-ring structure belonging to the milarite group, was studied to better understand the nature of extra-framework "Ca-oxygen-anion-H2O-molecule quasi-clusters" and H bonding behavior in microporous silicates. Neutron and X-ray single-crystal diffraction and IR powder and 1H NMR spectroscopic measurements were made. Four crystallographically independent Ca and H2O molecule sites were refined from the diffraction data, whereby both sites appear to have partial occupancies such that locally a Ca atom can have only a single H2O molecule bonded to it through an ion-dipole interaction. The Ca cation is further bonded to six O atoms of the framework forming a quasi cluster around it. The neutron results give the first static description of the protons in armenite, allowing bond distances and angles relating to the H2O molecules and H bonds to be determined. The IR spectrum of armenite is characterized in the OH-stretching region at RT by two broad bands at roughly 3470 and 3410 cm-1 and by a single H2O bending mode at 1654 cm-1. At 10 K four intense OH bands are located at 3479, 3454, 3401 and 3384 cm-1 and two H2O bending modes at 1650 and 1606 cm-1. The 1H MAS NMR spectrum shows a single strong resonance near 5.3 ppm and a smaller one near 2.7 ppm. The former can be assigned to H2O molecules bonded to Ca and the latter to weakly bonded H2O located at a site at the center of the structural double ring and it is partially occupied. The nature of H bonding in the microporous Ca-bearing zeolites scolecite, wairakite and epistilbite are also analyzed. The average OH stretching wavenumber shown by the IR spectra of armenite (~3435 cm-1) and scolecite (~3430 cm-1) are similar, while the average OH wavenumbers for wairakite (~3475 cm-1) and epistilbite (~3500 cm-1) are greater. In all cases the average OH stretching wavenumber is more similar to that of liquid water (~3400 cm-1) than of ice (~3220 cm-1). The

  3. Effect of the CaO/SiO2 mass ratio and FeO content on the viscosity of CaO-SiO2-"FeO"-12wt%ZnO-3wt%Al2O3 slags

    NASA Astrophysics Data System (ADS)

    Lü, Jian-fang; Jin, Zhe-nan; Yang, Hong-ying; Tong, Lin-lin; Chen, Guo-bao; Xiao, Fa-xin

    2017-07-01

    An effective process for recycling lead from hazardous waste cathode ray tubes (CRTs) funnel glass through traditional lead smelting has been presented previously. The viscous behavior of the molten high lead slag, which is affected by the addition of funnel glass, plays a critical role in determining the production efficiency. Therefore, the viscosities of the CaO-SiO2-"FeO"-12wt%ZnO-3wt%Al2O3 slags were measured in the current study using the rotating spindle method. The slag viscosity decreases as the CaO/SiO2 mass ratio is increased from 0.8 to 1.2 and also as the FeO content is increased from 8wt% to 20wt%. The breaking temperature of the slag is lowered substantially by the addition of FeO, whereas the influence of the CaO/SiO2 mass ratio on the breaking temperature is complex. The structural analysis of quenched slags using Fourier transform infrared (FTIR) spectroscopy and Raman spectroscopy reveals that the silicate network structure is depolymerized with increasing CaO/SiO2 mass ratio or increasing FeO content. The [FeO6]-octahedra in the slag melt increase as the CaO/SiO2 mass ratio or the FeO content increases. This increase can further decrease the degree of polymerization (DOP) of the slag. Furthermore, the activation energy for viscous flow decreases both with increasing CaO/SiO2 mass ratio and increasing FeO content.

  4. Experimental and Ab-Initio Studies of High Temperature Reactions in Vapor above Sio2/Al2O3 and SiO2/CaO Melts

    NASA Astrophysics Data System (ADS)

    Cornelison, Dave; Bulak, Michal

    2017-06-01

    The study of solid-liquid equilibrium is well established for alloys likely to be found on hot, rocky extra-solar planets. However, in atmospheres established above these magmas, molecules released from the components of the melt can react to form adducts; new molecules containing fragments of these precursors. These adducts are not predicted from equilibrium modeling codes unless their thermodynamic properties are input prior to simulation. In addition, the spectroscopic properties and vapor pressures relative to their melt conditions may be poorly known. Using a Knudsen cell heated in a custom e-beam evaporator, the binary systems of SiO2/Al2O3 and SiO2/CaO were synthesized at temperatures above 2000 K. The molecules evaporated from the melts were deposited into an Argon matrix held at 15 K and studied using mass spectrometry and FTIR. The results were then compared to molecular stability calculations derived from ab-initio molecular dynamics simulations using VASP©, and to IR spectra obtained using Gaussian©. Based on this analysis, a set of molecular adducts was found for each of the two alloy systems. The thermodynamic properties of each adduct were then simulated and used as input parameters for equilibrium calculations of vapor pressures as a function of temperature. The applications of these results to exoplanet observations is also discussed. This work was supported by NASA EPSCoR (Experimental Program to Stimulate Competitive Research). NNX13AE52A , “Understanding the Atmospheres of Hot Earths and the Impact on Solar System Formation”with NASA Glenn Research Center, Missouri State University and Washington University, St. Louis

  5. Alumovesuvianite, Ca19Al(Al,Mg)12Si18O69(OH)9, a new vesuvianite-group member from the Jeffrey mine, asbestos, Estrie region, Québec, Canada

    NASA Astrophysics Data System (ADS)

    Panikorovskii, Taras L.; Chukanov, Nikita V.; Aksenov, Sergey M.; Mazur, Anton S.; Avdontseva, Evgenia Yu; Shilovskikh, Vladimir V.; Krivovichev, Sergey V.

    2017-02-01

    Alumovesuvianite (IMA 2016-014), ideally Ca19Al(Al,Mg)12Si18O69(OH)9, is a new vesuvianite-group member found in the rodingite zone at the contact of a gabbroid rock with host serpentinite in the abandoned Jeffrey mine, Asbestos, Estrie Region, Québec, Canada. It occurs as prismatic tetragonal crystals up to 4 × 4 × 6 mm3 in size encrusting walls of cavities in a granular diopside. Associated minerals are diopside, grossular and prehnite. Single crystals of alumovesuvianite are transparent colorless or light pink with a vitreous lustre. The dominant crystal forms are {100}, {110}, {210}, {111}, {101} and {001}. The Mohs hardness is 6.5. The specific gravitiy is D meas = 3.31(1) g/cm3 and D calc = 3.36 g/cm3, respectively. The mineral is optically uniaxial (-), ω = 1.725(2), ɛ = 1.722(2). The chemical composition, determined by SEM-WDS (wavelength-dispersive spectroscopy on a scanning electron microscope; all oxides except H2O) and TG (thermogravimety; H2O) analysis, is: SiO2 37.1 wt%, Al2O3 18.8 wt%, CaO 36.6 wt%, MgO 2.48 wt%, Mn2O3 0.67 wt%, Fe2O3 0.22 wt%, H2O 2.61 wt%, total 98.5 wt%. The empirical formula based on 19 Ca atoms per formula unit and taking into account the MAS-NMR (magic-angle spinning nuclear magnetic resonance) data, is: Ca19.00(Al0.92Fe3+ 0.08)Σ1.00(Al9.83Mg1.80Mn3+ 0.25)Σ11.88Si17.98O69.16(OH)8.44. The most intense IR absorption bands lie in the ranges 412-609, 897-1024, and 3051-3671 cm-1. The eight strongest lines of the powder X-ray diffraction pattern are (I-d(Å)-hkl): 22-2.96-004, 100-2.761-432, 61-2.612-224, 25-2.593-600, 20-1.7658-831, 20-1.6672-734, 21-1.6247-912, and 22-1.3443-880. Alumovesuvianite is tetragonal, space group P4/n, unit-cell parameters refined from the powder data are a = 15.5603(5) Å, c = 11.8467(4) Å, V = 2868.3(4) Å3, Z = 2. The crystal structure has been refined to R 1 = 0.036 for 3098 unique observed reflections with |F o| ≥ 4σ F . The structure refinement provides the bond length of 1

  6. Phase Equilibria Studies in the System ZnO-``FeO''-Al2O3-CaO-SiO2 Relevant to Imperial Smelting Furnace Slags: Part I

    NASA Astrophysics Data System (ADS)

    Zhao, Baojun; Hayes, Peter C.; Jak, Evgueni

    2010-04-01

    The phase equilibria and liquidus temperatures in the system ZnO-“FeO”-Al2O3-CaO-SiO2 in equilibrium with metallic iron have been determined experimentally in the temperature range of 1423 K to 1553 K. The experimental conditions were focused on the composition range relevant to Imperial Smelting Furnace slags. The results are presented in the form of a pseudo-ternary section ZnO-“FeO”-(CaO + SiO2 + Al2O3) in which CaO/SiO2 = 0.93 and (CaO + SiO2)/Al2O3 = 7.0. It was found that wustite and spinel are the major primary phases and that zincite and melilite are also present in the composition range investigated. Wustite (Fe2+,Zn)O and spinel (Fe2+,Zn)O (A1,Fe3+)2O3 solid solutions are formed in this system, and the ZnO concentration in the spinel phase is found to be much greater than in the liquid phase.

  7. Phase Equilibrium Studies of CaO-SiO2-MgO-Al2O3 System with Binary Basicity of 1.5 Related to Blast Furnace Slag

    NASA Astrophysics Data System (ADS)

    Kou, Mingyin; Wu, Shengli; Ma, Xiaodong; Wang, Laixin; Chen, Mao; Cai, Qingwu; Zhao, Baojun

    2016-04-01

    Slags play an important role in blast furnace operation, and their compositions are based on the CaO-SiO2-MgO-Al2O3 quaternary system in many steel companies. The binary basicity (CaO/SiO2 weight ratio) of blast furnace slags, especially primary slag and bosh slag, can be as high as 1.5 or higher. Phase equilibria and liquidus temperatures in the CaO-SiO2-MgO-Al2O3 system with binary basicity of 1.50 are experimentally determined for temperatures in the range 1723 K to 1823 K (1450 °C to 1550 °C). High temperature equilibration, quenching, and electron probe X-ray microanalysis techniques have been used in the present study. The isotherms are obtained in the primary phase fields of Ca2SiO4, melilite, spinel, periclase, and merwinite related to blast furnace slags. Effects of Al2O3, MgO, and binary basicity on liquidus temperatures have been discussed. In addition, extensive solid solutions have been measured for different primary phases and will be used for development and optimization of the thermodynamic database.

  8. Three-dimensional analysis of Eu dopant atoms in Ca-α-SiAlON via through-focus HAADF-STEM imaging.

    PubMed

    Saito, Genki; Yamaki, Fuuta; Kunisada, Yuji; Sakaguchi, Norihito; Akiyama, Tomohiro

    2017-01-31

    Three-dimensional (3D) distributional analysis of individual dopant atoms in materials is important to development of optical, electronic, and magnetic materials. In this study, we adopted through-focus high-angle annular dark-field (HAADF) imaging for 3D distributional analysis of Eu dopant atoms in Ca-α-SiAlON phosphors. In this context, the effects of convergence semi-angle and Eu z-position on the HAADF image contrast were investigated. Multi-slice image simulation revealed that the contrast of the dopant site was sensitive to change of the defocus level. When the defocus level matched the depth position of a Eu atom, the contrast intensity was significantly increased. The large convergence semi-angle greatly increased the depth resolution because the electron beam tends spread instead of channeling along the atomic columns. Through-focus HAADF-STEM imaging was used to analyze the Eu atom distribution surrounding 10nm cubes with defocus steps of 0.68nm each. The contrast depth profile recorded with a narrow step width clearly analyzed the possible depth positions of Eu atoms. The radial distribution function obtained for the Eu dopants was analyzed using an atomic distribution model that was based on the assumption of random distribution. The result suggested that the Ca concentration did not affect the Eu distribution. The decreased fraction of neighboring Eu atoms along z-direction might be caused by the enhanced short-range Coulomb-like repulsive forces along the z-direction.

  9. Interfacial Tension in the CaO-Al2O3-SiO2-(MgO) Liquid Slag-Solid Oxide Systems

    NASA Astrophysics Data System (ADS)

    Abdeyazdan, Hamed; Monaghan, Brian J.; Longbottom, Raymond J.; Rhamdhani, M. Akbar; Dogan, Neslihan; Chapman, Michael W.

    2017-08-01

    Interfacial phenomenon is critical in metal processing and refining. While it is known to be important, there are little data available for key oxide systems in the literature. In this study, the interfacial tension ( σ LS) of liquid slag on solid oxides (alumina, spinel, and calcium aluminate), for a range of slags in the CaO-Al2O3-SiO2-(MgO) system at 1773 K (1500 °C), has been evaluated. The results show that basic ladle-type slags exhibit lower σ LS with oxide phases examined compared to that of acid tundish-type slags. Also, within the slag types (acid and base), σ LS was observed to decrease with increasing slag basicity. A correlation between σ LS and slag structure was observed, i.e., σ LS was found to decrease linearly with increasing of slag optical basicity (Λ) and decrease logarithmically with decreasing of slag viscosity from acid to base slags. This indicated a higher σ LS as the ions in the slag become larger and more complex. Through a work of adhesion ( W) analysis, it was shown that basic ladle slags with lower σ LS result in a greater W, i.e., form a stronger bond with the solid oxide phases examined. This indicates that all other factors being equal, the efficiency of inclusion removal from steel of inclusions of similar phase to these solid oxides would be greater.

  10. Growth and piezoelectric properties of Ca3Nb(Al0.5Ga0.5)3Si2O14 crystals with langasite structure

    NASA Astrophysics Data System (ADS)

    Xiong, Kainan; Zheng, Yanqing; Tu, Xiaoniu; Jiang, Bohan; Cao, Shuoliang; Shi, Erwei

    2017-06-01

    Piezoelectric crystals Ca3Nb(Al0.5Ga0.5)3Si2O14 (CNAGS) with langasite structure have been successfully grown by Czochralski method. In this work, the crystal structure, quality, chemical composition, piezoelectric properties, electric resistivity and optical properties of the as-grown crystals were characterized. The full width at half-maximum (FWHM) of the rocking curve of CNAGS was found to be 23″. The chemical compositions of CNAGS crystals are very close to that of initial compositions. At room temperature, the piezoelectric coefficients d11 and d14 of CNAGS crystals are 4.12 pC/N and -5.03 pC/N, and the electromechanical coupling coefficients k12 and k26 are also determined as 11.6% and 18.3%, respectively. The electric resistivity of as-growth crystal was found to be on the order of 2×108 Ω cm at 500 °C and 1×106 Ω cm at 800 °C. And the transmittances of CNAGS crystals were found to be over 80% in the wavelength range of 700-2700 nm.

  11. Thermochemistry of CaO-MgO-Al2O3-SiO2 (CMAS) and Advanced Thermal and Environmental Barrier Coating Systems

    NASA Technical Reports Server (NTRS)

    Costa, Gustavo C. C.; Zhu, Dongming

    2016-01-01

    CaO-MgO-Al2O3-SiO2 (CMAS) oxides are constituents in a broad number of materials and minerals which have recently inferred to discussions in materials science, planetary science, geochemistry and cosmochemistry communities. In materials science, there is increasing interest in the degradation studies of thermal (TBC) and environmental (EBC) barrier coatings of gas turbines by molten CMAS. These coatings have been explored to be applied on silicon-based ceramics and composites which are lighter and more temperature capable hot-section materials of gas turbines than the current Ni-based superalloys. The degradation of the coatings occurs when CMAS minerals carried by the intake air into gas turbines, e.g. in aircraft engines, reacts at high temperatures (1000C) with the coating materials. This causes premature failure of the static and rotating components of the turbine engines. We discuss some preliminary results of the reactions between CMAS and Rare-Earth (RE Y, Yb and Gd) oxide stabilized ZrO2 systems, and stability of the resulting oxides and silicates.

  12. An Internally Consistent Thermodynamic Model for the System CaO-MgO-Al2O3-SiO2 Derived Primarily from Phase Equilibrium Data.

    PubMed

    Gasparik

    2000-01-01

    An internally consistent thermodynamic model for the subsolidus system CaO-MgO-Al2O3-SiO2 (CMAS) was developed and refined using primarily data from phase equilibrium experiments. The solution properties of pyroxenes and garnet were approximated with an ionic model, with independent mixing on adjacent crystallographic sites. This approach simplified the calculation of phase relations by allowing sequential calculation of the site occupancies. Enthalpy, entropy, and volume differences, nominally at 970 K, were derived for all participating phases by matching as closely as possible the experimentally observed phase relations. Although thermochemical measurements were not used directly in the refinement, the results were continuously monitored and compared with the thermochemical data to achieve a close match. The new model can be used to calculate phase diagrams for the CMAS system and its subsystems in the whole pressure range of the upper mantle. Simple empirical corrections for the effects of Na, Fe, Cr, etc., could potentially be introduced to make the model applicable to the thermobarometry of chemically complex mantle materials. Application of the new model to garnet lherzolite xenoliths from northern Lesotho and garnet peridotites from Norway supports the proposals for higher temperatures of the continental lithosphere.

  13. Structural and electronic properties of AB- and AA-stacking bilayer-graphene intercalated by Li, Na, Ca, B, Al, Si, Ge, Ag, and Au atoms

    NASA Astrophysics Data System (ADS)

    Tayran, Ceren; Aydin, Sezgin; Çakmak, Mehmet; Ellialtıoğlu, Şinasi

    2016-04-01

    The structural and electronic properties of X (=Li, Na, Ca, B, Al, Si, Ge, Ag, and Au)-intercalated AB- and AA-stacking bilayer-graphene have been investigated by using ab initio density functional theory. It is shown that Boron (Lithium)-intercalated system is energetically more stable than the others for the AB (AA) stacking bilayer-graphene systems. The structural parameters, electronic band structures, and orbital nature of actual interactions are studied for the relaxed stable geometries. It is seen that the higher the binding energy, the smaller is the distance between the layers, in these systems. The electronic band structures for these systems show that different intercalated atoms can change the properties of bilayer-graphene differently. For qualitative description of the electronic properties, the metallicities of the systems are also calculated and compared with each other. The Mulliken analysis and electron density maps clearly indicate that the interactions inside a single layer (intralayer interactions) are strong and highly covalent, while the interactions between the two layers (interlayer interactions) are much weaker.

  14. Thermochemistry of CaO-MgO-Al2O3-SiO2 (CMAS) and Advanced Thermal and Environmental Barrier Coating Systems

    NASA Technical Reports Server (NTRS)

    Costa, Gustavo; Zhu, Dongming

    2017-01-01

    CaO-MgO-Al2O3-SiO2 (CMAS) oxides are constituents in a broad number of materials and minerals which have recently inferred to discussions in materials science, planetary science, geochemistry and cosmochemistry communities. In materials science, there is increasing interest in the degradation studies of thermal (TBC) and environmental (EBC) barrier coatings of gas turbines by molten CMAS. CMAS minerals usually are carried by the intake air into gas turbines, e.g. in aircraft engines, and their deposits react at high temperatures (1000C) with the coating materials. This causes degradation and accelerated failure of the static and rotating components of the turbine engines. We discuss some preliminary results of the reactions between CMAS and Rare-Earth (RE Y, Yb, Dy, Gd, Nd and Sm) oxide stabilized ZrO2 or HfO2 systems, and the stability of the resulting oxides and silicates. Plasma sprayed hollow tube samples ( 2.2 mm and 26 mm height) were half filled with CMAS powder, wrapped and sealed with platinum foil, and heat treated at 1310 C for 5h. Samples were characterized by differential scanning calorimetry, X-ray diffraction and cross section electron microscopy analysis.

  15. High Temperature Degradation of Advanced Thermal and Environmental Barrier Coatings (TEBCs) by CaO-MgO-Al2O3-SiO2 (CMAS)

    NASA Technical Reports Server (NTRS)

    Costa, Gustavo; Zhu, Dongming

    2017-01-01

    There is increasing interest in the degradation studies of thermal and environmental barrier coatings (TEBCs) of gas turbines by molten CaO-MgO-Al2O3-SiO2 (CMAS). CMAS minerals are usually referred as silica-containing sand dust and volcano ash materials that are carried by the intake air into gas turbines, e.g. aircraft engines. The low-melting deposits react at high temperatures (1000C) with the coating materials. This causes degradation and accelerated coating failure of the static and rotating components of the turbine engines. We discuss some preliminary results of the reactions between CMAS and Rare-Earth (RE Y, Yb, Dy, Gd, Nd and Sm) oxide stabilized ZrO2 or HfO2 systems, and the stability of the resulting oxides and silicates. Plasma sprayed hollow tube samples (outer diameter 4.7 mm, wall thickness 0.76 mm and 26 mm height) were half filled with CMAS powder, wrapped and sealed with platinum foil, and heat- treated at 1310 C for 5h. Samples were characterized by differential scanning calorimetry, X-ray diffraction and cross section electron microscopy analysis.

  16. Determination of Vanadium Valence State in CaO-MgO-Al2O3-SiO2 System By High-Temperature Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Wang, Lijun; Teng, Lidong; Chou, Kuo-Chih; Seetharaman, Seshadri

    2013-08-01

    In the present study, the applicability of the high-temperature mass spectrometric method combined with Knudsen effusion cell for quantifying the valence states of V in the multicomponent system CaO-MgO-Al2O3-SiO2-VO x up to a maximum temperature of 2050 K (1777 °C) was examined. The valence ratio of V3+/V4+ in slag phase was derived from the partial pressures of VO and VO2 in the effused vapor phase. The results show good agreement with the literature values obtained by other techniques. A correlation between the valence ratio V3+/V4+ and the oxygen partial pressure as well as basicity was achieved based on the present results and accessed data in the literature. The results of the present study demonstrate that the Knudsen cell-mass spectrometric method can be a very effective tool in estimating the valence ratios for of transition metals in metallurgical slags.

  17. Analysis of reaction between c+a and -c+a dislocations in GaN layer grown on 4-inch Si(111) substrate with AlGaN/AlN strained layer superlattice by transmission electron microscopy

    SciTech Connect

    Sugawara, Yoshihiro; Ishikawa, Yukari; Watanabe, Arata; Miyoshi, Makoto; Egawa, Takashi

    2016-04-15

    The behavior of dislocations in a GaN layer grown on a 4-inch Si(111) substrate with an AlGaN/AlN strained layer superlattice using horizontal metal-organic chemical vapor deposition was observed by transmission electron microscopy. Cross-sectional observation indicated that a drastic decrease in the dislocation density occurred in the GaN layer. The reaction of a dislocation (b=1/3[-211-3]) and anothor dislocation (b =1/3[-2113]) to form one dislocation (b =2/3[-2110]) in the GaN layer was clarified by plan-view observation using weak-beam dark-field and large-angle convergent-beam diffraction methods.

  18. K -shell ionization cross sections of Al, Si, S, Ca, and Zn for oxygen ions in the energy range 1. 1--8 MeV

    SciTech Connect

    Geretschlaeger, M. ); Smit, Z. ); Steinbauer, E. )

    1992-03-01

    {ital K}-shell ionization cross sections induced by 1.1--8-MeV oxygen ions in Al, Si, S, Ca, and Zn were measured using different target thicknesses. The cross sections for vanishingly thin and for charge-equilibrium targets were obtained by extrapolation. The experimental results are compared to the perturbed stationary-state approximation with energy-loss, Coulomb, and relativistic corrections (ECPSSR) cross sections (Brandt and Lapicki, Phys. Rev. A 23, 1717 (1981)), to the modification of the ECPSSR theory (MECPSSR) (Benka, Geretschlaeger, and Paul, J. Phys. (Paris) Colloq. Suppl. 12, C9-251 (1987)), to the theory for direct Coulomb ionization of the 1{ital s}{sigma} molecular orbital (Montenegro and Sigaud, J. Phys. B 18, 299 (1985)), and to several semiclassical approximation codes using either the united atom binding procedure or the variational approach of Andersen {ital et} {ital al}. (Nucl. Instrum. Methods 192, 79 (1982)). The cross sections were also compared to the statistical molecular-orbital theory of inner-shell ionization for (nearly) symmetric atomic collisions (Mittelman and Wilets, Phys. Rev. 154, 12 (1967)). For fast collisions ({xi}{similar to}1), the ionization cross sections are well reproduced by theories for direct Coulomb ionization. For slower collisions ({xi}{lt}1), the experimental cross sections are systematically higher than the direct-ionization values, but they agree satisfactorily with the summed cross sections for direct Coulomb ionization and for molecular-orbital ionization. Best agreement (within a factor of 2) was found for the sums of MECPSSR and statistical cross sections.

  19. Multifunctional effect of Al2O3, SiO2 and CaO on the volatilization of PbO and PbCl2 during waste thermal treatment.

    PubMed

    Wang, Si-Jia; He, Pin-Jing; Shao, Li-Ming; Zhang, Hua

    2016-10-01

    Minerals including Al2O3, SiO2 and CaO are predominant matrixes in waste, and are thought to facilitate lead (Pb) emission control. This study distinguished the inhibition of each mineral on common stable Pb-containing compounds, including highly volatile PbCl2 and less volatile PbO. Al2O3 can lower the volatilization temperature of Pb by 29 °C due to the generation of a eutectic compound and play a minor but non-negligible role in reducing Pb volatilization. The most conspicuous inhibition effect was exerted by SiO2 and a mixture of Al2O3 and SiO2, which completely integrated PbO into the glass phase at 690 °C and prohibited its migration. In contrast, SiO2 had no significant inhibition on volatile PbCl2. CaO inhibited PbO volatilization in the absence of oxygen by controlling its diffusion, while it converted PbO to Ca2PbO4 in the presence of oxygen, thus controlling Pb diffusion and decreasing the Pb volatilization ratio and rate. The influence of CaO on PbCl2 was complex because CaO can convert PbCl2 to PbO with formation of CaCl2, and CaCl2 can also be a Cl-donor for PbO. The roles of mineral matrixes in Pb conversion were shown to be important for Pb emission control. Copyright © 2016 Elsevier Ltd. All rights reserved.

  20. Melting enthalpies of mantle peridotite: calorimetric determinations in the system CaO-MgO-Al 2O 3-SiO 2 and application to magma generation

    NASA Astrophysics Data System (ADS)

    Kojitani, Hiroshi; Akaogi, Masaki

    1997-12-01

    High-temperature drop calorimetry in the temperature range of 1398-1785 K was performed for the samples of mixtures of synthetic anorthite (An), diopside (Di), enstatite (En) and forsterite (Fo) with the same compositions as those of primary melts generated at 1.1, 3 and 4 GPa at most 10° above the solidus of anhydrous mantle peridotite in the CaO-MgO-Al 2O 3-SiO 2 system. From the differences between the heat contents ( H T-H 298) of liquid and that of crystal mixture at the liquidus temperature, melting enthalpies of the samples of 1.1, 3 and 4 GPa-primary melt compositions were determined at 1 atm to be 531 ± 39 J · g -1 at 1583 K, 604 ± 21 J · g -1 at 1703 K, 646 ± 21 J · g -1 at 1753 K, respectively. These heat of fusion values suggest that mixing enthalpy of the melt in the An-Di-En-Fo system is approximately zero within the experimental errors when we use the heat of fusion of Fo by Richet et al. (P. Richet, F. Leclerc, L. Benoist, Melting of forsterite and spinel, with implications for the glass transition of Mg 2SiO 4 liquid, Geophys. Res. Lett. 20 (1993) 1675-1678). The measured enthalpies of melting at 1 atm were converted into those for melting reactions which occur under high pressures by correcting enthalpy changes associated with solid-state mineral reactions. Correcting the effects of pressure, temperature and FeO and Na 2O components on the melting enthalpies at 1 atm, heat of fusion values of a representative mantle peridotite just above the solidus under high pressure were estimated to be 590 J at 1.1 GPa and 1523 K, 692 J at 3 GPa and 1773 K, and 807 J at 4 GPa and 1923 K for melting reactions producing liquid of 1 g, with uncertainties of 50 J. By applying these melting enthalpies to a mantle diapir model which generates present MORBs, a potential mantle temperature of 1533 K has been estimated, assuming an eruption temperature of magma of 1473 K.

  1. Tissintite, (Ca, Na,$${\\square}$$)AlSi2O6, a highly-defective, shock-induced, high-pressure clinopyroxene in the Tissint martian meteorite

    DOE PAGES

    Ma, Chi; Tschauner, Oliver; Beckett, John R.; ...

    2015-04-24

    Here, tissintite is a new vacancy-rich, high-pressure clinopyroxene, with a composition essentially equivalent to plagioclase. It was discovered in maskelynite (shocked plagioclase) and is commonly observed included within, or in contact with, shock-melt pockets in the Tissint meteorite, a depleted olivine-phyric shergottite fall from Mars. The simple composition of tissintite (An58-69) and its precursor plagioclase (An59-69) together with the limited occurrence, both spatially (only in maskelynite less than ~25 μm of a shock melt pocket) and in terms of bulk composition, make tissintite a "goldilocks" phase. It formed during a shock event severe enough to allow nucleation and growth of vacancy-rich clinopyroxene from a melt of not too calcic and not too sodic plagioclase composition that was neither too hot nor too cold. With experimental calibration, these limitations on occurrence can be used to place strong constraints on the thermal history of a shock event. The kinetics for nucleation and growth of tissintite are probably slower for more-sodic plagioclase precursors, so tissintite is most likely to occur in depleted olivinephyric shergottites like Tissint and other highly shocked meteorites and lunar and terrestrial rocks that consistently contained calcic plagioclase precursors in the appropriate compositional range for a shock of given intensity. Tissintite, (Ca0.45Na0.31more » $${\\square}$$ 0.24)(Al0.97Fe0.03Mg0.01)(Si1.80Al0.20)O6, is a C2/c clinopyroxene, containing 42-60 mol% of the Ca-Eskola component, by far the highest known. The cell parameters are a = 9.21 (17) Å, b = 9.09 (4) Å, c = 5.20 (2) Å, β = 109.6 (9)°, V = 410 (8) Å3, Z = 4. The density is 3.32 g/cm(3) and we estimate a cell volume for the Ca-Eskola end-member pyroxene of 411 ±13 Å3, which is consistent with a previous estimate and, therefore, supports the importance of this component in clinopyroxenes from ultra-high pressure metamorphic rocks from the Earth's upper mantle

  2. Tissintite, (Ca, Na, □)AlSi2O6, a highly-defective, shock-induced, high-pressure clinopyroxene in the Tissint martian meteorite

    NASA Astrophysics Data System (ADS)

    Ma, Chi; Tschauner, Oliver; Beckett, John R.; Liu, Yang; Rossman, George R.; Zhuravlev, Kirill; Prakapenka, Vitali; Dera, Przemyslaw; Taylor, Lawrence A.

    2015-07-01

    Tissintite is a new vacancy-rich, high-pressure clinopyroxene, with a composition essentially equivalent to plagioclase. It was discovered in maskelynite (shocked plagioclase) and is commonly observed included within, or in contact with, shock-melt pockets in the Tissint meteorite, a depleted olivine-phyric shergottite fall from Mars. The simple composition of tissintite (An58-69) and its precursor plagioclase (An59-69) together with the limited occurrence, both spatially (only in maskelynite less than ˜25 μm of a shock melt pocket) and in terms of bulk composition, make tissintite a "goldilocks" phase. It formed during a shock event severe enough to allow nucleation and growth of vacancy-rich clinopyroxene from a melt of not too calcic and not too sodic plagioclase composition that was neither too hot nor too cold. With experimental calibration, these limitations on occurrence can be used to place strong constraints on the thermal history of a shock event. The kinetics for nucleation and growth of tissintite are probably slower for more-sodic plagioclase precursors, so tissintite is most likely to occur in depleted olivine-phyric shergottites like Tissint and other highly shocked meteorites and lunar and terrestrial rocks that consistently contained calcic plagioclase precursors in the appropriate compositional range for a shock of given intensity. Tissintite, (Ca0.45Na0.31□0.24) (Al0.97Fe0.03Mg0.01) (Si1.80Al0.20)O6, is a C 2 / c clinopyroxene, containing 42-60 mol% of the Ca-Eskola component, by far the highest known. The cell parameters are a = 9.21 (17) Å, b = 9.09 (4) Å, c = 5.20 (2) Å, β = 109.6 (9)°, V = 410 (8) Å3, Z = 4. The density is 3.32 g/cm3 and we estimate a cell volume for the Ca-Eskola end-member pyroxene of 411 ± 13 Å3, which is consistent with a previous estimate and, therefore, supports the importance of this component in clinopyroxenes from ultra-high pressure metamorphic rocks from the Earth's upper mantle. At least in C 2 / c

  3. Effects of Y2O3 on crystallization kinetics of SiO2-Al2O3-CaO-CaF2 oxy-fluoride glass-ceramic system

    NASA Astrophysics Data System (ADS)

    Soleymani Zarabad, M.; Rezvani, M.

    Differential thermal analysis (DTA) patterns of SiO2-Al2O3-CaO-CaF2 oxy-fluoride glass system with adding different amounts of Y2O3 from 0.5 (wt%) to 1.5 (wt%) have been studied under isochronal circumstances. It is concluded that, the crystallization of the glasses is a process controlled by Avrami nucleation, three dimensional diffusion controlled growth and anisotropic growth impingement mode. Afterwards, the effective activation energy Qp, growth exponent, nucleation activation energy QN, and growth activation energy QG, have been determined and were in the range of 283-321 kJ mol-1, 2.05-2.25, 190-249 kJ mol-1 and 325-349 kJ mol-1, respectively. Qp, QN, QG and np are increased with increase of Y2O3 amount, which is related to the network forming role of Y2O3 in these systems.

  4. Luminescence and energy-transfer properties of color-tunable Ca2Mg0.25Al1.5Si1.25O7:Ce(3+)/Eu(2+)/Tb(3+) phosphors for ultraviolet light-emitting diodes.

    PubMed

    Yuan, Bo; Song, Yanhua; Sheng, Ye; Zheng, Keyan; Huo, Qisheng; Xu, Xuechun; Zou, Haifeng

    2016-03-01

    A series of Ca2Mg0.25Al1.5Si1.25O7:Ce(3+)/Eu(2+)/Tb(3+) phosphors was been prepared via a conventional high temperature solid-state reaction and their luminescence properties were studied. The emission spectra of Ca2Mg0.25Al1.5Si1.25O7:Ce(3+),Eu(2+) and Ca2Mg0.25Al1.5Si1.25O7:Ce(3+),Tb(3+) phosphors show not only a band due to Ce(3+) ions (409 nm) but also as a band due to Eu(2+) (520 nm) and Tb(3+) (542 nm) ions. More importantly, the effective energy transfer from Ce(3+) to Eu(2+) and Tb(3+) ions was confirmed and investigated by emission/excitation spectra and luminescent decay behaviors. Furthermore, the energy level scheme and energy transfer mechanism were investigated and were demonstrated to be of resonant type via dipole-dipole (Ce(3+) to Eu(2+)) and dipole-quadrupole (Ce(3+) to Tb(3+)) reactions, respectively. Under excitation at 350 nm, the emitting color could be changed from blue to green by adjusting the relative doping concentration of Ce(3+) and Eu(2+) ions as well as Ce(3+) and Tb(3+) ions. The above results indicate that Ca2Mg0.25Al1.5Si1.25O7:Ce(3+),Eu(2+)/Tb(3+) are promising single-phase blue-to-green phosphors for application in phosphor conversion white-light-emitting diodes. Copyright © 2015 John Wiley & Sons, Ltd.

  5. Uptake properties of Ni2+ by nCaO.Al2O3.2SiO2 (n=1-4) prepared from solid-state reaction of kaolinite and calcite.

    PubMed

    Jha, Vinay Kumar; Kameshima, Yoshikazu; Nakajima, Akira; Okada, Kiyoshi; MacKenzie, Kenneth J D

    2005-08-31

    A series of nCaO.Al2O3.2SiO2 samples (n=1-4) were prepared by solid-state reaction of mechanochemically treated mixtures of kaolinite and calcite fired at 600-1000 degrees C for 24 h. All the samples were X-ray amorphous after firing at 600-800 degrees C but had crystallized by 900 degrees C. The main crystalline phases were anorthite (n=1), gehlenite (n=2 and 3) and larnite (n=4). The uptake of Ni2+ by nCaO.Al2O3.2SiO2 samples fired at 800 and 900 degrees C was investigated at room temperature using solutions with initial Ni2+ concentrations of 0.1-50 mmol/l. Amorphous samples (fired at 800 degrees C) showed a higher Ni2+ uptake capacity than crystalline samples (fired at 900 degrees C). Ni2+ uptake was found to increase with increasing of CaO content. Amorphous 4CaO.Al2O3.2SiO2 showed the highest Ni2+ uptake capacity (about 9 mmol/g). The Ni2+ uptake abilities of the present samples are higher than those of other materials reported in the literature. Since the sorbed Ni2+/released Ca2+ ratios of these samples are close to unity, ion replacement of Ni2+ for Ca2+ is thought to be the principal mechanism of Ni2+ uptake by the present samples.

  6. EFFECT OF MgO ON STRUCTURE AND DIELECTRIC PROPERTIES OF CaO-Al2O3-B2O3-SiO2 GLASSES

    NASA Astrophysics Data System (ADS)

    Du, Zhao; Zhang, Xuehong; Yue, Yunlong; Wu, Haitao

    2012-12-01

    The effect of MgO on structure and dielectric properties of aluminoborosilicate glasses was investigated. FTIR data indicated that glass network was mainly built by tetrahedral [SiO4], [BO4], [AlO4] and trigonal [BO3]. A small amount of AlO5 or AlO6 units also existed. The glass system was characterized with lower dielectric constant (4.17 4.6) and dielectric loss (12.3 × 10-4 14.77 × 10-4) at 1 MHz. With the increase of MgO content, the quantity of AlO5 or AlO6 units decreased. The variation of density showed a decreasing tendency. The dielectric constant and loss were all found to decrease.

  7. White long-lasting phosphorescence generation in a CaAl2Si2O8 : Eu2+, Mn2+, Dy3+ system through persistent energy transfer

    NASA Astrophysics Data System (ADS)

    Zhang, Jinsu; Chen, Baojiu; Sun, Jiashi; Li, Xiangping; Cheng, Lihong; Zhong, Haiyang

    2012-08-01

    Based on the persistent energy transfer principle, Mn2+ was introduced into a CaAl2Si2O8 : Eu2+/Dy3+ phosphor to achieve white long-lasting emissions. Eu2+, Mn2+ and Dy3+ tri-doped CaAl2Si2O8 phosphors with various Mn2+ concentrations were prepared via a solid-state reaction, and the crystal structure of the phosphors was identified by the x-ray diffraction technique. The luminescent properties of the Eu2+, Mn2+ and Dy3+ tri-doped CaAl2Si2O8 phosphors were studied. The energy transfer behaviour from Eu2+ to Mn2+ was analysed within the framework of Dexter theory. The physical mechanism of energy transfer was assigned to the electric dipole-quadrupole interaction. It was also demonstrated that the colour coordinates of the phosphors can be tuned from the blue region to the white region in the colour space. Furthermore, the afterglow decay and thermoluminescence curves were measured, indicating excellent phosphorescence properties of the current phosphors.

  8. U-Mo/Al-Si interaction: Influence of Si concentration

    NASA Astrophysics Data System (ADS)

    Allenou, J.; Palancher, H.; Iltis, X.; Cornen, M.; Tougait, O.; Tucoulou, R.; Welcomme, E.; Martin, Ph.; Valot, C.; Charollais, F.; Anselmet, M. C.; Lemoine, P.

    2010-04-01

    Within the framework of the development of low enriched nuclear fuels for research reactors, U-Mo/Al is the most promising option that has however to be optimised. Indeed at the U-Mo/Al interfaces between U-Mo particles and the Al matrix, an interaction layer grows under irradiation inducing an unacceptable fuel swelling. Adding silicon in limited content into the Al matrix has clearly improved the in-pile fuel behaviour. This breakthrough is attributed to an U-Mo/Al-Si protective layer around U-Mo particles appeared during fuel manufacturing. In this work, the evolution of the microstructure and composition of this protective layer with increasing Si concentrations in the Al matrix has been investigated. Conclusions are based on the characterization at the micrometer scale (X-ray diffraction and energy dispersive spectroscopy) of U-Mo7/Al-Si diffusion couples obtained by thermal annealing at 450 °C. Two types of interaction layers have been evidenced depending on the Si content in the Al-Si alloy: the threshold value is found at about 5 wt.% but obviously evolves with temperature. It has been shown that for Si concentrations ranging from 2 to 10 wt.%, the U-Mo7/Al-Si interaction is bi-layered and the Si-rich part is located close to the Al-Si for low Si concentrations (below 5 wt.%) and close to the U-Mo for higher Si concentrations. For Si weight fraction in the Al alloy lower than 5 wt.%, the Si-rich sub-layer (close to Al-Si) consists of U(Al, Si) 3 + UMo 2Al 20, when the other sub-layer (close to U-Mo) is silicon free and made of UAl 3 and U 6Mo 4Al 43. For Si weight concentrations above 5 wt.%, the Si-rich part becomes U 3(Si, Al) 5 + U(Al, Si) 3 (close to U-Mo) and the other sub-layer (close to Al-Si) consists of U(Al, Si) 3 + UMo 2Al 20. On the basis of these results and of a literature survey, a scheme is proposed to explain the formation of different types of ILs between U-Mo and Al-Si alloys (i.e. different protective layers).

  9. Chemical composition characterization of Ca3Ta(Ga0.5Al0.5)3Si2O14 single crystal by the line-focus-beam ultrasonic material characterization system

    NASA Astrophysics Data System (ADS)

    Ohashi, Yuji; Kudo, Tetsuo; Yokota, Yuui; Shoji, Yasuhiro; Kurosawa, Shunsuke; Kamada, Kei; Yoshikawa, Akira

    2016-10-01

    A new method for evaluation of homogeneity of Ca3Ta(Ga0.5Al0.5)3Si2O14 (CTGAS) single crystals was established based on leaky surface acoustic wave (LSAW) velocity measurements performed by the line-focus-beam ultrasonic material characterization (LFB-UMC) system. Three plate specimens cut perpendicular to X-, Y-, and Z-axes were prepared from the CTGAS crystal ingot and LSAW velocity distributions were examined for these specimens. LSAW velocity changes due to Al-substitution effect were successfully extracted by using a relationship between two LSAW velocities propagating along different directions for Ca3TaGa3Si2O14 (CTGS) and Al-substituted CTGS. Comparison of measured LSAW velocities and the results of chemical composition analysis performed by electron probe microanalysis (EPMA) demonstrated that LSAW velocity is mainly affected by Al-content change in CTGAS. Maximum velocity variation was observed in radial direction of the crystal ingot through the Z-axis propagating LSAW velocity measurements for Y-cut CTGAS specimen corresponding to Al-content change of 0.226 mol%. Accuracy of evaluation of Al content by velocity measurement for Y-cut Z-propagating LSAW is estimated to be ±0.0047 mol% and is superior to that by EPMA.

  10. The effect of SiO2/Al2O3 ratio on the structure and microstructure of the glazes from SiO2-Al2O3-CaO-MgO-Na2O-K2O system

    NASA Astrophysics Data System (ADS)

    Partyka, Janusz; Sitarz, Maciej; Leśniak, Magdalena; Gasek, Katarzyna; Jeleń, Piotr

    2015-01-01

    Ceramic glazes are commonly used to covering of the facing surface of ceramics ware. A well-chosen oxide composition and firing conditions of glazes causes significant improvement of technical parameters of ceramic products. Modern glazes are classified as glass-ceramic composites with different crystalline phases arising during firing. The presence of crystals in the glass matrix is influenced by many factors, especially by oxides molar composition. A crucial role is played by the molar ratio of SiO2/Al2O3. In this work the six composition of glazes from SiO2-Al2O3-CaO-MgO-Na2O-K2O system were examined. The only variable is the ratio of the silicon oxideto alumina at a constant content of other components: MgO, CaO, K2O, Na2O, ZnO. In order to determine the real phase composition of the obtained glazes research on fluorescence spectrometer (XRF) were done. For structural studies X-ray diffraction (XRD) and spectroscopic in the middle infrared (MIR) were performed. In order to determine the state of the surface (microstructure) research on the scanning electron microscope (SEM) with EDX. The research allowed to determine the influence of SiO2/Al2O3 ratio on the structure and phase composition of glazes and the nature, and type of formed crystalline phases.

  11. High-P behavior of anorthite composition and some phase relations of the CaO-Al2O3-SiO2 system to the lower mantle of the Earth, and their geophysical implications

    NASA Astrophysics Data System (ADS)

    Liu, Xi; Ohfuji, Hiroaki; Nishiyama, Norimasa; He, Qiang; Sanehira, Takeshi; Irifune, Tetsuo

    2012-09-01

    Multianvil experiments with long experimental durations have been made with the anorthite composition CaAl2Si2O8at pressure-temperature (P-T) conditions of 14-25 GPa and 1400-2400°C. At subsolidus conditions, these experiments demonstrated three phase assemblages, grossular (Gr) + kyanite (Ky) + stishovite (St) at ˜14 GPa, Gr + calcium-alumino-silicate phase (CAS) + St at ˜18 GPa, and CAS + CaSiO3-perovskite (CaPv) + St at above ˜20 GPa, which are related by the reactions Gr + Ky = CAS + St and Gr + St = CAS + CaPv. Following the method of Schreinemakers, we combined our data with the literature data to deduce aP-Tphase diagram for a portion of the CaO-Al2O3-SiO2system at subsolidus conditions, which subsequently helped to solve some long-lasting discrepancies in the high-Pbehavior of the compositions of anorthite and grossular. The crystal chemistry of the CAS and CaPv solid solutions was examined, and new substitution mechanisms were firmly established. Along the solidus, the melting reaction at ˜14 GPa is peritectic while that at ˜22 GPa is eutectic. For both pressures, St is the first phase to melt out and the melt is generally andesitic. For the An composition, its density starts to be significantly higher than the density of pyrolite at ˜2.5 GPa, a much lower pressure than that for the Or, Ab or Qtz composition (˜7.5-10 GPa), so that the An-enriched continental crust material should readily plunge into the upper mantle.

  12. 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.

  13. Raman and infrared spectroscopy study on structure and microstructure of glass-ceramic materials from SiO2-Al2O3-Na2O-K2O-CaO system modified by variable molar ratio of SiO2/Al2O3.

    PubMed

    Partyka, Janusz; Leśniak, Magdalena

    2016-01-05

    This paper is focused on the effect of the molar ratio of SiO2/Al2O3 on the microstructure and structure of the internal aluminium-silicon-oxide lattice of the glass-ceramic materials from the SiO2-Al2O3-Na2O-K2O-CaO system. In order to examine the real composition of the obtained samples, a chemical analysis was performed. Following the heat-treatment procedure, pseudowollastonite, anorthite and the vitreous phase were identified. In order to determine the microstructure, research using the scanning electron microscope (SEM) with EDS was done. For the inner structural study, X-ray diffraction (XRD), Raman spectroscopy as well as MIR and FIR spectroscopy were performed.

  14. Raman and infrared spectroscopy study on structure and microstructure of glass-ceramic materials from SiO2-Al2O3-Na2O-K2O-CaO system modified by variable molar ratio of SiO2/Al2O3

    NASA Astrophysics Data System (ADS)

    Partyka, Janusz; Leśniak, Magdalena

    2016-01-01

    This paper is focused on the effect of the molar ratio of SiO2/Al2O3 on the microstructure and structure of the internal aluminium-silicon-oxide lattice of the glass-ceramic materials from the SiO2-Al2O3-Na2O-K2O-CaO system. In order to examine the real composition of the obtained samples, a chemical analysis was performed. Following the heat-treatment procedure, pseudowollastonite, anorthite and the vitreous phase were identified. In order to determine the microstructure, research using the scanning electron microscope (SEM) with EDS was done. For the inner structural study, X-ray diffraction (XRD), Raman spectroscopy as well as MIR and FIR spectroscopy were performed.

  15. Distribution Ratios of Phosphorus Between CaO-FeO-SiO2-Al2O3/Na2O/TiO2 Slags and Carbon-Saturated Iron

    NASA Astrophysics Data System (ADS)

    Li, Fengshan; Li, Xianpeng; Yang, Shufeng; Zhang, Yanling

    2017-10-01

    In order to effectively enhance the efficiency of dephosphorization, the distribution ratios of phosphorus between CaO-FeO-SiO2-Al2O3/Na2O/TiO2 slags and carbon-saturated iron ( LP^{Fe-C} ) were examined through laboratory experiments in this study, along with the effects of different influencing factors such as the temperature and concentrations of the various slag components. Thermodynamic simulations showed that, with the addition of Na2O and Al2O3, the liquid areas of the CaO-FeO-SiO2 slag are enlarged significantly, with Al2O3 and Na2O acting as fluxes when added to the slag in the appropriate concentrations. The experimental data suggested that LP^{Fe-C} increases with an increase in the binary basicity of the slag, with the basicity having a greater effect than the temperature and FeO content; LP^{Fe-C} increases with an increase in the Na2O content and decrease in the Al2O3 content. In contrast to the case for the dephosphorization of molten steel, for the hot-metal dephosphorization process investigated in this study, the FeO content of the slag had a smaller effect on LP^{Fe-C} than did the other factors such as the temperature and slag basicity. Based on the experimental data, by using regression analysis, log LP^{Fe-C} could be expressed as a function of the temperature and the slag component concentrations as follows: log LP^{Fe-C} = 0.059({pct}{CaO}) + 1.583log ({TFe}) - 0.052( {{pct}{SiO}2 } ) - 0.014( {{pct}{Al}2 {O}3 } ) \\quad + 0.142( {{pct}{Na}2 {O}} ) - 0.003( {{pct}{TiO}2 } ) + 0.049( {{pct}{P}2 {O}5 } ) + 13{,}527/T - 9.87.

  16. Quasi-Chemical Viscosity Model for Fully Liquid Slag in the Al2O3-CaO-MgO-SiO2 System—Part I: Revision of the Model

    NASA Astrophysics Data System (ADS)

    Suzuki, Masanori; Jak, Evgueni

    2013-12-01

    A model has been developed that enables the viscosities of the fully liquid slag in the multi-component Al2O3-CaO-FeO-Fe2O3-MgO-Na2O-SiO2 system to be predicted within experimental uncertainties over a wide range of compositions and temperatures. The Eyring equation is used to express viscosity as a function of temperature and composition. The model links the activation and pre-exponential energy terms in the viscosity expression to the slag internal structure through the concentrations of various Si0.5O, , and viscous flow structural units (SUs). The concentrations of these SUs are derived from a quasi-chemical thermodynamic model of the liquid slag using the thermodynamic computer package FactSage. The model describes a number of slag viscosity features including the charge compensation effect specific for the Al2O3-containing systems. The predictive capability of the model is enhanced by the physical aspects of the model parameters—the correlation with other physicochemical properties as well as experimental viscosity data is used to determine model parameters. The present series of two papers outlines (a) recent significant improvements introduced into the model formalism and (b) application of the model to the Al2O3-CaO-MgO-SiO2 system, review of experimental viscosity data, and optimization of the corresponding model parameters for this system.

  17. Thermodynamic data of lawsonite and zoisite in the system CaO-Al2O3-SiO2-H2O based on experimental phase equilibria and calorimetric work

    NASA Astrophysics Data System (ADS)

    Grevel, Klaus-Dieter; Schoenitz, Mirko; Skrok, Volker; Navrotsky, Alexandra; Schreyer, Werner

    2001-08-01

    The enthalpy of drop-solution in molten 2PbO.B2O3 of synthetic and natural lawsonite, CaAl2(Si2O7)(OH)2.H2O, was measured by high-temperature oxide melt calorimetry. The enthalpy of formation determined for the synthetic material is ΔfHOxides=-168.7+/-3.4 kJ mol-1, or ΔfH0298=-4,872.5+/-4.0 kJ mol-1. These values are in reasonable agreement with previously published data, although previous calorimetric work yielded slightly more exothermic data and optimisation methods resulted in slightly less exothermic values. The equilibrium conditions for the dehydration of lawsonite to zoisite, kyanite and quartz/coesite at pressures and temperatures up to 5 GPa and 850 °C were determined by piston cylinder experiments. These results, other recent phase equilibrium data, and new calorimetric and thermophysical data for lawsonite and zoisite, Ca2Al3(SiO4)(Si2O7)O(OH), were used to constrain a mathematical programming analysis of the thermodynamic data for these two minerals in the chemical system CaO-Al2O3-SiO2-H2O (CASH). The following data for lawsonite and zoisite were obtained: ΔfH0298 (lawsonite)=-4,865.68 kJ mol-1 , S0298 (lawsonite)=229.27 J K-1 mol-1 , ΔfH0298 (zoisite)=-6,888.99 kJ mol-1 , S0298 (zoisite)=297.71 J K-1 mol-1 . Additionally, a recalculation of the bulk modulus of lawsonite yielded K=120.7 GPa, which is in good agreement with recent experimental work.

  18. Metaheuristics-Assisted Combinatorial Screening of Eu(2+)-Doped Ca-Sr-Ba-Li-Mg-Al-Si-Ge-N Compositional Space in Search of a Narrow-Band Green Emitting Phosphor and Density Functional Theory Calculations.

    PubMed

    Lee, Jin-Woong; Singh, Satendra Pal; Kim, Minseuk; Hong, Sung Un; Park, Woon Bae; Sohn, Kee-Sun

    2017-08-21

    A metaheuristics-based design would be of great help in relieving the enormous experimental burdens faced during the combinatorial screening of a huge, multidimensional search space, while providing the same effect as total enumeration. In order to tackle the high-throughput powder processing complications and to secure practical phosphors, metaheuristics, an elitism-reinforced nondominated sorting genetic algorithm (NSGA-II), was employed in this study. The NSGA-II iteration targeted two objective functions. The first was to search for a higher emission efficacy. The second was to search for narrow-band green color emissions. The NSGA-II iteration finally converged on BaLi2Al2Si2N6:Eu(2+) phosphors in the Eu(2+)-doped Ca-Sr-Ba-Li-Mg-Al-Si-Ge-N compositional search space. The BaLi2Al2Si2N6:Eu(2+) phosphor, which was synthesized with no human intervention via the assistance of NSGA-II, was a clear single phase and gave an acceptable luminescence. The BaLi2Al2Si2N6:Eu(2+) phosphor as well as all other phosphors that appeared during the NSGA-II iterations were examined in detail by employing powder X-ray diffraction-based Rietveld refinement, X-ray absorption near edge structure, density functional theory calculation, and time-resolved photoluminescence. The thermodynamic stability and the band structure plausibility were confirmed, and more importantly a novel approach to the energy transfer analysis was also introduced for BaLi2Al2Si2N6:Eu(2+) phosphors.

  19. Hydrothermal synthesis and the crystal structure of borate cancrinite (Na,Ca){sub 2}[Na{sub 6}(AlSiO{sub 4}){sub 6}](BO{sub 3}) . 2H{sub 2}O

    SciTech Connect

    Shirinova, A. F. Khrustalev, V. N.; Samedov, H. R.; Chiragov, M. I.

    2006-01-15

    Transparent prismatic single crystals of borate cancrinite (Na,Ca){sub 2}[Na{sub 6}(AlSiO{sub 4}){sub 6}](BO{sub 3}) . 2H{sub 2}O are prepared through hydrothermal crystallization. The parameters of the hexagonal unit cell and intensities of 10806 reflections are measured on an Enraf-Nonius CAD4 automated diffractometer. The compound crystallizes in the hexagonal crystal system with the unit cell parameters a = 12.745(4) A, c = 5.180(2) A, V = 728.6(4) A{sup 3}, and space group P6{sub 3}. The structure is determined by direct methods and refined using the full-matrix least-squares procedure in the anisotropic approximation for the non-hydrogen atoms. The refinement of the structure is performed to the final discrepancy factor R{sub 1} = 0.027 for 2889 unique reflections with I > 2 {sigma} (I). In the structure of the borate cancrinite, the AlO{sub 4} and SiO{sub 4} tetrahedra form a zeolite-like framework in which twelve-membered hexagonal channels are occupied by sodium atoms and BO{sub 3} groups, whereas six-membered channels are filled with sodium and calcium atoms and water molecules. The mean interatomic distances are found to be as follows: (Si-O){sub mean} = 1.614 A and (Al-O){sub mean} = 1.741 A in the AlO{sub 4} and SiO{sub 4} tetrahedra, (Na-O){sub mean} = 2.542 A in the seven-vertex sodium polyhedra, and [(Na,Ca)-O]{sub mean} = 2.589 A in the ditrigonal bipyramids.

  20. Glass transition, structural relaxation, and theories of viscosity: a molecular dynamics study of amorphous CaAl 2Si 2O 8

    NASA Astrophysics Data System (ADS)

    Morgan, Neil A.; Spera, Frank J.

    2001-11-01

    Molecular dynamics (MD) simulation provides a unique window into the dynamics of amorphous silicates of geochemical importance. Of special interest are theories of the glass transition and viscosity when an equilibrium liquid passes through the metastable supercooled liquid state to become a nonequilibrium glass. Viscosity increases enormously in a small temperature range around the glass transition temperature. Twenty MD simulations utilizing 1300 particles were conducted for CaAl2Si2O8 at temperatures in the range 1700 to 5000 K along the ∼ 1 GPa isobar. A pairwise potential with Coulombic and Born-Mayer interaction was used in the evaluation of forces. Simulation durations range from 50 to 150 ps. Previously, structures, thermodynamic properties, and tracer diffusivities were determined as a function of temperature for liquid and glass (Morgan and Spera, 2001). Here, the focus is upon atomic cooperative motion at the nanometer scale and theories of viscosity illuminated by correlation analysis and tagged particle dynamics. Dramatic differences in the dynamics of particles monitored by the nongaussian component of atom self-diffusivity, the van Hove correlation function and the intermediate scattering function appear near the (computer) glass transition temperature Tg = 2800 K. At T < Tg, the van Hove correlation function for oxygen and calcium exhibits a double-peaked structure characteristic of hopping diffusion through correlated jumps involving neighboring particles to nearest neighbor sites in an otherwise ;frozen; structure. The crossover between continuous (hydrodynamic-like) motion and hopping motion shows up in the time dependence of the mean square displacement as a function of temperature and in the temporal decay of microscopic density fluctuations given by the intermediate scattering function. A particle and its neighbors remain trapped for a finite waiting time before undergoing a cooperative thermally activated rearrangement that is based on an

  1. Facile synthesis of Ca{sub 0.68}Si{sub 9}Al{sub 3}(ON){sub 16}:Eu{sup 2+} microbelts mat with the enhanced fluorescence and mechanical performance

    SciTech Connect

    Zhao, Hailei; Cui, Bo; Wang, Hongzhi; Zhang, Qinghong; Li, Yaogang

    2016-01-15

    Yellow-emitting phosphor mat consisting of Ca{sub 0.68}Si{sub 9}Al{sub 3}(ON){sub 16}:Eu{sup 2+} microbelts was prepared by electrospinning and subsequent nitridation. The as-prepared fiber precursor is smooth and uniform with diameter of 800 to 900 nm. After removing organic templates and nitridation, the morphology of the fiber is well retained and thus a smooth microbelts phosphor mat was obtained. X-ray diffraction and the photoluminescence (PL) spectra reveals that a relatively pure Ca{sub 0.68}Si{sub 9}Al{sub 3}(ON){sub 16} phase and the highest spectral intensity could be obtained at a relatively low temperature of 1500 °C and Eu{sup 2+} doping molar concentration of 0.1. The excitation spectra exhibits a broad band, ranging from 300 to 550 nm, which could be excited by blue LED chip at room temperature. The emission spectra of all exhibits a single broad band in the 400 to 700 nm region, with the maximum intensity always being at 580 nm. The Ca{sub 0.68}Si{sub 9}Al{sub 3}(ON){sub 16}:Eu{sup 2+} microbelts phosphor mat has the bending strength about 4.5 MPa with a photoluminescence quantum yield as high as 65%. By employing it as yellow phosphor, a high-performance warm white LED could be fabricated with low correlated color temperature (2985 K), high-color-rendering index (Ra=86) and luminous efficacy of 129.5 lm W{sup −1}. Different color temperatures also could be tuned by employing microbelts phosphor mats with different thicknesses. - Graphical abstract: Yellow-emitting phosphor mat consisting of Ca{sub 0.68}Si{sub 9}Al{sub 3}(ON){sub 16}:Eu{sup 2+} microbelts fibers were prepared by electrospinning the fiber precursor and subsequent nitridation. Because the good mechanical strength it could be utilized to realize LEDs remote packaging. By employing it as yellow phosphor, a high-performance warm white LED could be fabricated. Different color temperatures also could be tuned by employing microbelts phosphor mats with different thicknesses

  2. Effects of Al2O3 and MgO on Softening, Melting, and Permeation Properties of CaO-FeO-SiO2 on a Coke Bed

    NASA Astrophysics Data System (ADS)

    Ueda, Shigeru; Kon, Tatsuya; Miki, Takahiro; Kim, Sun-Joong; Nogami, Hiroshi

    2016-08-01

    In ironmaking, maintaining gas permeability in blast furnace with low coke rate operation is essential to reduce carbon emissions. The high pressure loss in the cohesive zone decreases the gas permeability and affects the productivity of blast furnace. In order to increase the gas permeability in the cohesive zone, the thickness of the cohesive layer should be decreased. For this purpose, increasing softening temperature and decreasing dripping temperature of the iron ore are desired. In this study, softening, melting, and permeation of SiO2-FeO-CaO-Al2O3-MgO on a coke bed were investigated. The oxide sample in a tablet form was heated under CO/CO2 atmosphere, and the shape of the tablet was observed. The softening and melting temperatures of the SiO2-FeO-CaO system changed with the addition of Al2O3 and MgO. Oxide tablets with and without Al2O3 softened below and above the solidus temperature, respectively. The melting temperatures varied with the ratio of CO/CO2 in the gas. The permeation temperature was independent of the melting temperature, but dependent on the wettability.

  3. Distribution of Calcium and Aluminum Between Molten Silicon and Silica-Rich CaO-Al2O3-SiO2 Slags at 1823 K (1550 °C)

    NASA Astrophysics Data System (ADS)

    Ahn, Seung Hwan; Jakobsson, Lars Klemet; Tranell, Gabriella

    2017-02-01

    Oxidative refining of silicon after tapping from the furnace is performed to remove calcium and aluminum impurities. Depending on the slag composition, the refining limit is determined by the thermodynamic equilibrium between silicon and slag. Silica-rich CaO-Al2O3-SiO2 slags were equilibrated with silicon at 1823 K (1550 °C) in the present study. The results were compared with previous experimental measurements, experimentally measured activities in the slag and thermodynamically modeled data. The present study was found to agree relatively well with most of these works. The concentrations of calcium and aluminum in silicon along the liquidus line for SiO2 saturation were also investigated, and this area was found to have less agreement between different works.

  4. 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.

  5. Multicomponent diffusion in silicate melts: SiO2-TiO2-Al2O3-MgO-CaO-Na2O-K2O System

    NASA Astrophysics Data System (ADS)

    Guo, Chenghuan; Zhang, Youxue

    2016-12-01

    Nine successful diffusion couple experiments were carried out in a 7-component haplobasaltic silicate melt SiO2-TiO2-Al2O3-MgO-CaO-Na2O-K2O system to study multicomponent diffusion at ∼1500 °C and 1 GPa, typically with compositional gradients in only two components in each experiment. At least two concentration traverses were measured for each experiment. Effective binary diffusion coefficients (EBDC) for monotonic profiles were obtained by an error function fit, and the EBDC of a given component is dependent on its counter diffusing component, especially for SiO2. The EBDC's of SiO2 vary from 15.7 μm2/s when diffusing against Al2O3, to 102.9 μm2/s when diffusing against K2O. Furthermore, the multicomponent diffusion matrix was obtained by simultaneously fitting profiles of all oxides in all experiments. Most features in the diffusion profiles, for example uphill diffusion, are captured well by this 6 × 6 diffusion matrix. The slowest diffusing eigenvector is largely due to the exchange between Si and Al, and the fastest diffusing eigenvector is the exchange of Na with all other components. An anorthite dissolution experiment was also conducted to test whether the diffusion matrix can be applied to mineral dissolution experiments. The calculated diffusion profiles in the melt during anorthite dissolution roughly match the measured profiles, demonstrating the validity and utility of the diffusion matrix in this FeO-free aluminosilicate melt system.

  6. Experimental investigation of zoisite-clinozoisite phase equilibria in the system CaO-Fe2O3-Al2O3-SiO2-H2O

    NASA Astrophysics Data System (ADS)

    Brunsmann, A.; Franz, G.; Heinrich, W.

    2002-01-01

    The system Ca2Al3Si3O11(O/OH)-Ca2Al2FeSi3O11(O/OH), with emphasis on the Al-rich portion, was investigated by synthesis experiments at 0.5 and 2.0 GPa, 500-800 °C, using the technique of producing overgrowths on natural seed crystals. Electron microprobe analyses of overgrowths up to >100 µm wide have located the phase transition from clinozoisite to zoisite as a function of P-T-Xps and a miscibility gap in the clinozoisite solid solution. The experiments confirm a narrow, steep zoisite-clinozoisite two-phase loop in T-Xps section. Maximum and minimum iron contents in coexisting zoisite and clinozoisite are given by $X{ ps}{ zo} (max) = 1.9*10{ - 4} T+ 3.1*10{ - 2} P - 5.36*10{ - 2} and X{ ps}{ czo} (min) = (4.6 * 10{ - 4} - 4 * 10{ - 5} P)T + 3.82 * 10{ - 2} P - 8.76 * 10{ - 2} $ (P in GPa, T in °C). The iron-free end member reaction clinozoisite = zoisite has equilibrium temperatures of 185+/-50 °C at 0.5 GPa and 0+/-50 °C at 2.0 GPa, with ΔHr0=2.8+/-1.3 kJ/mol and ΔSr0=4.5+/-1.4 J/mol×K. At 0.5 GPa, two clinozoisite modifications exist, which have compositions of clinozoisite I 0.15 to 0.25 Xps and clinozoisite II >0.55 Xps. The upper thermal stability of clinozoisite I at 0.5 GPa lies slightly above 600 °C, whereas Fe-rich clinozoisite II is stable at 650 °C. The schematic phase relations between epidote minerals, grossular-andradite solid solutions and other phases in the system CaO-Al2O3-Fe2O3-SiO2-H2O are shown.

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

    PubMed Central

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

    2016-01-01

    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. PMID:27120994

  8. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

    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.

  10. Liquidus surface of FeO-Fe2O3-SiO2-CaO slag containing Al2O3, MgO, and Cu2O at intermediate oxygen partial pressures

    NASA Astrophysics Data System (ADS)

    Kongoli, Florian; Yazawa, Akira

    2001-08-01

    The liquidus surface of the FeO-Fe2O3-SiO2-CaO system is of special importance in general pyrometallurgy. It determines several industrial slags, such as “fayalite” slag, calcium ferrite slag, acidic and basic steelmaking slags, as well as the newly proposed “ferrous calcium silicate slags” (FCS), which are all nominally based on this system. Nevertheless, the liquidus surface of this system has been studied only in equilibrium with metallic iron or in air, and the data at intermediate oxygen partial pressures are almost missing. In reductive smelting processes, the aforementioned slags were based on the liquidus surface of the FeO-Fe2O3-SiO2-CaO system in equilibrium with metallic iron. In oxidative matte smelting and in today’s modern trends of nonferrous smelting, such as continuous converting or white metal production, the characterization of the liquidus surface of this system at intermediate oxygen partial pressures becomes imperative. Furthermore, the effect of minor oxides on the liquidus surface of this system has not been studied at higher oxygen potentials and confusing conclusions are found in literature even for low oxygen potentials. In this work, a quantitative description of the liquidus surface of FeO-Fe2O3-SiO2-CaO slag containing Al2O3, MgO, and Cu2O is carried out by means of a thermodynamic model at various intermediate oxygen partial pressures. Through a new type of easy-to-understand multicomponent phase diagram, it is shown that important differences exist between the liquidus surfaces of this system in reductive and oxidative conditions. It is also shown that minor components can have fundamentally different effects in reductive and oxidative conditions.

  11. Novel Si networks in Ca/Si phase diagram under pressure

    NASA Astrophysics Data System (ADS)

    Gao, Guoying; Ashcroft, Neil; Hoffmann, Roald

    2014-03-01

    In the Ca/Si phase diagram, many compositions are known. In these calcium silicides, silicon atoms form many different organizations, for example, at low pressure silicons are isolated silicon atoms in Ca2Si, Si chains in CaSi and corrugated hexagonal Si layers and a three-dimensional network of sp2 bonds in CaSi2. The crystal structures for these silicides under pressure have not been studied completely, and we are very interested in the new chemical and physical behavior of Si in these silicides under pressure. Therefore, we take a theoretical study of Ca2Si, CaSi and CaSi2 under pressure. We predicted many interesting Si networks in the calcium silicides under pressure. Si atoms form Si chains in Ca2Si, flat quadrangular and hexagonal Si layers in CaSi, and 6-coordinated Si tetrahedrons and 4, 8-coordinated Si octahedrons in CaSi2 at high pressure. All of these predicted structures are dynamically stable. Moreover, these calcium silicides are all metals. Some of them are good candidates to be superconductors. G. G., R. H., and N. W. A. acknowledge support by the NSF through research grant CHE-0910623 and DMR-0907425, and also EFree by the U.S. Department of Energy (Award No. DESC0001057 at Cornell).

  12. Ordered CaSi2 Microwall Arrays on Si Substrates Induced by the Kirkendall Effect.

    PubMed

    Meng, Xiang; Ueki, Akiko; Tatsuoka, Hirokazu; Itahara, Hiroshi

    2017-03-02

    We have specified the synthetic conditions to obtain one-directionally ordered CaSi2 microwall arrays vertically grown on a Si substrate. Our basic concept is based on the utilization of the Kirkendall effect for reactive deposition epitaxy (RDE). We found for the first time that: 1) a much larger Ca vapor supply on the Si substrate than the conventional RDE, 2) the adoption of a two-step heating process, and 3) the selection of the crystal axis of the Si surface are the keys to control the microstructures of CaSi2 on the Si substrate. The CaSi phase was first formed on Si, then the CaSi2 phase was formed at the CaSi/Si interface. Based on the Kirkendall effect, the interdiffusion of Ca and Si was enhanced in the vertical direction rather than in the parallel direction to the Si surface. CaSi2 tends to grow along four equivalent Si{111} planes, however, the specific orientation of the Si surface resulted in CaSi2 microwalls grown along its Si(111‾ ) plane, the only plane directing nearly vertical to the surface among the Si{111} planes. These results suggest that the Kirkendall effect under asymmetric growth of target materials would be a rational strategy to obtain their ordered microstructures. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. The layered antimonides RELi{sub 3}Sb{sub 2} (RE=Ce–Nd, Sm, Gd–Ho). Filled derivatives of the CaAl{sub 2}Si{sub 2} structure type

    SciTech Connect

    Schäfer, Marion C.; Suen, Nian-Tzu; Raglione, Michaella; Bobev, Svilen

    2014-02-15

    Reported are the synthesis and the structural characterization of an extended family of rare-earth metal–lithium–antimonides with the formula RELi{sub 3}Sb{sub 2} (RE=Ce–Nd, Sm, Gd–Ho). They crystallize in the trigonal space group P3{sup ¯}m1 (No. 164, Pearson symbol hP6) with a structure, best viewed as a filled derivative of the common CaAl{sub 2}Si{sub 2} structure type (ternary variant of α-La{sub 2}O{sub 3}). Across the series, the lattice parameters monotonically decrease, following the lanthanide contraction. Temperature-dependent magnetic susceptibility measurements for CeLi{sub 3}Sb{sub 2}, PrLi{sub 3}Sb{sub 2} and TbLi{sub 3}Sb{sub 2} reveal paramagnetic behavior in the high temperature range, and the obtained effective moments are consistent with the expected ones for the free-ion RE{sup 3+} ground state. Possible ferromagnetic ordering for PrLi{sub 3}Sb{sub 2} and antiferromagnetic ordering for TbLi{sub 3}Sb{sub 2} are observed in the low temperature range (below 20 K). Tight-binding muffin-tin orbital electronic band structure calculations for LaLi{sub 3}Sb{sub 2} are presented and discussed as well. - Graphical abstract: The large family of rare-earth metal–lithium–antimonides with the formula RELi{sub 3}Sb{sub 2} (RE=Ce–Nd, Sm, Gd–Ho) crystallize in the trigonal space group P3{sup ¯}m1 (No. 164, Pearson symbol hP6) with a structure that is a filled derivative of the CaAl{sub 2}Si{sub 2} structure type (ternary variant of α-La{sub 2}O{sub 3}). Display Omitted - Highlights: • RELi{sub 3}Sb{sub 2} (RE=Ce–Nd, Sm, Gd–Ho) constitute an extended family of rare-earth metal–lithium–antimonides. • The layered structure is a filled derivative of the common CaAl{sub 2}Si{sub 2} structure type. • The valence electron count follows the Zintl–Klemm rules. • Electronic band structure calculations for LaLi{sub 3}Sb{sub 2} indicate small band-gap semiconducting behavior.

  14. Superior solid solubility of MnSiO3 in CaSiO3 perovskite

    NASA Astrophysics Data System (ADS)

    Li, Lin; Nagai, Takaya; Seto, Yusuke; Fujino, Kiyoshi; Kawano, Jun; Itoh, Shoich

    2015-02-01

    The silicate perovskite phase relation between CaSiO3 and MnSiO3 was investigated at 35-52 GPa and at 1,800 K using laser-heated diamond anvil cells combined with angle-dispersive synchrotron X-ray diffraction and energy-dispersive X-ray spectroscopic chemical analyses with scanning or transmission electron microscopy. We found that MnSiO3 can be incorporated into CaSiO3 perovskite up to 55, and 20 mol % of CaSiO3 is soluble in MnSiO3 perovskite. The range of 55-80 mol % of MnSiO3 in the CaSiO3-MnSiO3 perovskite system could be immiscible. We also observed that the two perovskite structured phases of the Mn-bearing CaSiO3 and the Ca-bearing MnSiO3 coexisted at these conditions. The Mn-bearing CaSiO3 perovskite has non-cubic symmetry and the Ca-bearing MnSiO3 perovskite has an orthorhombic structure with space group Pbnm. All the perovskite structured phases in the CaSiO3-MnSiO3 system convert to the amorphous phase during pressure release. MnSiO3 is the first chemical component confirmed to show such a superior solid solubility in CaSiO3 perovskite.

  15. Superior solid solubility of MnSiO3 in CaSiO3 perovskite

    NASA Astrophysics Data System (ADS)

    Li, Lin; Nagai, Takaya; Seto, Yusuke; Fujino, Kiyoshi; Kawano, Jun; Itoh, Shoich

    2014-08-01

    The silicate perovskite phase relation between CaSiO3 and MnSiO3 was investigated at 35-52 GPa and at 1,800 K using laser-heated diamond anvil cells combined with angle-dispersive synchrotron X-ray diffraction and energy-dispersive X-ray spectroscopic chemical analyses with scanning or transmission electron microscopy. We found that MnSiO3 can be incorporated into CaSiO3 perovskite up to 55, and 20 mol % of CaSiO3 is soluble in MnSiO3 perovskite. The range of 55-80 mol % of MnSiO3 in the CaSiO3-MnSiO3 perovskite system could be immiscible. We also observed that the two perovskite structured phases of the Mn-bearing CaSiO3 and the Ca-bearing MnSiO3 coexisted at these conditions. The Mn-bearing CaSiO3 perovskite has non-cubic symmetry and the Ca-bearing MnSiO3 perovskite has an orthorhombic structure with space group Pbnm. All the perovskite structured phases in the CaSiO3-MnSiO3 system convert to the amorphous phase during pressure release. MnSiO3 is the first chemical component confirmed to show such a superior solid solubility in CaSiO3 perovskite.

  16. Development of SiAlON materials

    NASA Technical Reports Server (NTRS)

    Layden, G. K.

    1979-01-01

    Cold pressing and sintering techniques were used to produce ceramic test specimens in which the major phase was either Si3N4 or a solid solution having the beta Si3N4 structure. Additional components were incorporated to promote liquid phase sintering. Glass and/or crystalline phase were consequently retained in boundaries between Si3N4 grains which largely determined the physical properties of the bodies. Systems investigated most extensively included R-Si-Al-O-N (R = rare earth element) Zr-Si-Al-O-N, Y-Si-Be-O-N, and R1-R2-Si-O-N. Room temperature and 1370 C modulus of ruptured, 1370 C creep, and oxidation behavior are discussed in terms of phase relationships in a parent quinery, and relavent oxide systems.

  17. (Sr1-xNax)(Cd1-xMnx)2As2: A new charge and spin doping decoupled diluted magnetic semiconductors with CaAl2Si2-type structure

    NASA Astrophysics Data System (ADS)

    Chen, Bijuan; Deng, Zheng; Li, Wenmin; Gao, Moran; Li, Zhi; Zhao, Guoqiang; Yu, Shuang; Wang, Xiancheng; Liu, Qingqing; Jin, Changqing

    2016-08-01

    We report the synthesis and characterization of a new bulk diluted ferromagnetic semiconductor via Na and Mn co-doping in SrCd2As2 with a hexagonal CaAl2Si2-type structure. Together with carrier doping via (Sr,Na) substitution, spin doping via (Cd,Mn) substitution results in ferromagnetic order with Curie temperature of TC 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 (Sr1-xNax)(Cd1-xMnx)2As2 can be acted as a promising candidate for spin manipulations owing to its relatively small coercive field of less than 24 Oe.

  18. CaO-MgO-Al2O3-SiO2 (CMAS) corrosion of Gd2Zr2O7 and Sm2Zr2O7

    DOE PAGES

    Wang, Honglong; Bakal, Ahmet; Zhang, Xingxing; ...

    2016-08-08

    Ceramic thermal barrier coatings are applied to superalloys used in gas turbine engineering to increase the operating temperature and the energy conversion efficiency. However, dust consisting of CaO-MgO-Al2O3-SiO2 (CMAS) from the air can be injected into the engines and corrode the thermal barrier coatings. Lanthanide zirconates are promising materials in thermal barrier coatings due to their low thermal conductivities, good phase stability and good corrosion resistance. However, the corrosion resistance mechanism of CMAS on lanthanide zirconates is still not clearly understood. In this work, the corrosion mechanism of Gd2Zr2O7 and Sm2Zr2O7 in CMAS is studied. Here, the results show thatmore » the CMAS can easily react with lanthanide zirconate thermal barrier coatings to form a dense layer, which can resist further corrosion« less

  19. Ferromagnetic glass ceramics and glass fibers based on the composition of SiO2-CaO-Al2O3-B2O3-Fe2O3 glass system

    NASA Astrophysics Data System (ADS)

    Liu, Jianan; Zhu, Chaofeng; Zhang, Meimei; Zhang, Yanfei; Yang, Xuena

    2017-03-01

    Ferromagnetic glass-ceramics and glass fibers were obtained by the melt-method from the glass system SiO2-CaO-Al2O3-B2O3-Fe2O3 without performing any nucleation and crystallization heat treatments. Glass-ceramics and glass fibers were characterized by x-ray diffraction, scanning and transmission electron microscopy, magnetic measurements, and thermal expansion instrument. The influence of alumina content on the spontaneous crystallization of magnetite, magnetism properties and thermal expansion performances in glass were investigated. We examined the crystallization behavior of the glasses and found that the spontaneous crystallization capacity of magnetite and magnetism properties in base glass increases with increasing the content of alumina. The ferromagnetic glass fibers containing magnetite nano-crystals are also obtained.

  20. Alloriite, Na5K1.5Ca(Si6Al6O24)(SO4)(OH)0.5 · H2O, a new mineral species of the cancrinite group

    NASA Astrophysics Data System (ADS)

    Chukanov, N. V.; Rastsvetaeva, R. K.; Pekov, I. V.; Zadov, A. E.

    2007-12-01

    Alloriite, a new mineral species, has been found in volcanic ejecta at Mt. Cavalluccio (Campagnano municipality, Roma province, Latium region, Italy) together with sanidine, biotite, andradite, and apatite. The mineral is named in honor of Roberto Allori (b. 1933), an amateur mineralogist and prominent mineral collector who carried out extensive and detailed field mineralogical investigations of volcanoes in the Latium region. Alloriite occurs as short prismatic and tabular crystals up to 1.5 × 2 mm in size. The mineral is colorless, transparent, with a white streak and vitreous luster. Alloriite is not fluorescent and brittle; the Mohs’ hardness is 5. The cleavage is imperfect parallel to {10overline 1 0}. The density measured with equilibration in heavy liquids is 2.35g/cm3 and calculated density ( D calc) is 2.358 g/cm3 (on the basis of X-ray single-crystal data) and 2.333 g/cm3 (from X-ray powder data). Alloriite is optically uniaxial, positive, ω = 1.497(2), and ɛ = 1.499(2). The infrared spectrum is given. The chemical composition (electron microprobe, H2O determined using the Penfield method, CO2, with selective sorption, wt %) is: 13.55 Na2O, 6.67 K2O, 6.23 CaO, 26.45 Al2O3, 34.64 SiO2, 8.92 SO3, 0.37 Cl, 2.1 H2O, 0.7 CO2, 0.08-O = Cl2, where the total is 99.55. The empirical formula ( Z = 1) is Na19.16K6.21Ca4.87(Si25.26Al22.74O96)(SO4)4.88(CO3)0.70Cl0.46(OH)0.76 · 4.73H2O. The simplified formula (taking into account the structural data, Z = 4) is: [Na(H2O)][Na4K1.5(SO4)] · [Ca(OH,Cl)0.5](Si6Al6O24). The crystal structure has been studied ( R = 0.052). Alloriite is trigonal, the space group is P31 c; the unit-cell dimensions are a = 12.892(3), c = 21.340(5) Å, and V = 3071.6(15) Å3. The crystal structure of alloriite is based on the same tetrahedral framework as that of afghanite. In contrast to afghanite containing clusters [Ca-Cl]+ and chains ...Ca-Cl-Ca-Cl..., the new mineral contains clusters [Na-H2O]+ and chains ...Na-H2O-Na-H2O.... The

  1. Crystallization, densification and dielectric properties of CaO–MgO–Al{sub 2}O{sub 3}–SiO{sub 2} glass with ZrO{sub 2} as nucleating agent

    SciTech Connect

    Hsiang, Hsing-I; Yung, Shi-Wen; Wang, Chung-Ching

    2014-12-15

    SEM micrographs for the pure CaO–MgO–Al{sub 2}O{sub 3}–SiO{sub 2} glass sintered at 850–1000 °C (a) 850 °C, (b) 900 °C, (c) 950 °C, (d) 1000 °C. - Highlights: • ZrO{sub 2} effects on the crystallization of LTCC glass system were investigated. • ZrO{sub 2} effects on the dielectric properties of LTCC glass system were investigated. • LTCC with a dielectric constant of 6.65 and a low dielectric loss can be obtained. - Abstract: The zirconium oxide effects on the crystallization and dielectric properties of CaO–MgO–Al{sub 2}O{sub 3}–SiO{sub 2} (CMAS) glass were investigated. The results showed that phyllosiloxide and anorthite crystallites were observed in sequence during sintering. For glass added with 8 wt% ZrO{sub 2}, homogeneously dispersed tetragonal ZrO{sub 2} crystallites were observed at 850 °C. The as-prepared CMAS glass–ceramics exhibited a dielectric constant of about 6–7 and a dielectric loss below 0.005 at 100 MHz. The dielectric properties of CMAS glass with 8 wt% ZrO{sub 2} sintered at 850 °C show a low dielectric constant of 6.65 and a dielectric loss tangent of about 2.5 × 10{sup −3}, which provides a promising candidate for LTCC applications.

  2. Crystal and electronic structures of CaAl 2Si 2-type rare-earth copper zinc phosphides RECuZnP 2 ( RE=Pr, Nd, Gd-Tm, Lu)

    NASA Astrophysics Data System (ADS)

    Blanchard, Peter E. R.; Stoyko, Stanislav S.; Cavell, Ronald G.; Mar, Arthur

    2011-01-01

    The quaternary rare-earth phosphides RECuZnP 2 ( RE=Pr, Nd, Gd-Tm, Lu) have been prepared by reaction of the elements at 900 °C, completing this versatile series which forms for nearly all RE metals. They adopt the trigonal CaAl 2Si 2-type structure (Pearson symbol hP5, space group P3¯ m1, Z=1), as confirmed by single-crystal X-ray diffraction analysis on ErCuZnP 2 and powder X-ray diffraction analysis on the remaining members. The Cu and Zn atoms are assumed to be disordered over the single transition-metal site. Band structure calculations on a hypothetically ordered YCuZnP 2 model suggest a semimetal, with a zero band gap between the valence and conduction bands. This electronic structure is supported by XPS valence band spectra for RECuZnP 2 ( RE=Gd-Er), in which the intensity drops off smoothly at the Fermi edge. The absence of a band gap permits the electron count to deviate from the precise value of 16 e - per formula unit, as demonstrated by the formation of a solid solution in GdCu xZn 2- xP 2 (1.0≤ x≤1.3), while still retaining the CaAl 2Si 2-type structure. Because the Cu 2 p XPS spectra indicate that the Cu atoms are always monovalent, the substitution of Cu for Zn leads to a decrease in electron count and a lowering of the Fermi level in the valence band. The magnetic susceptibility of RECuZnP 2 ( RE=Gd-Er), which obeys the Curie-Weiss law, confirms the presence of trivalent RE atoms.

  3. The 3R polymorph of CaSi{sub 2}

    SciTech Connect

    Nedumkandathil, Reji; Benson, Daryn E.; Grins, Jekabs; Spektor, Kristina; Häussermann, Ulrich

    2015-02-15

    The Zintl phase CaSi{sub 2} commonly occurs in the 6R structure where puckered hexagon layers of Si atoms are stacked in an AA′BB′CC′ fashion. In this study we show that sintering of CaSi{sub 2} in a hydrogen atmosphere (30 bar) at temperatures between 200 and 700 °C transforms 6R-CaSi{sub 2} quantitatively into 3R-CaSi{sub 2}. In the 3R polymorph (space group R-3m (no. 166), a=3.8284(1), c=15.8966(4), Z=3) puckered hexagon layers are stacked in an ABC fashion. The volume per formula unit is about 3% larger compared to 6R-CaSi{sub 2}. First principles density functional calculations reveal that 6R and 3R-CaSi{sub 2} are energetically degenerate at zero Kelvin. With increasing temperature 6R-CaSi{sub 2} stabilizes over 3R because of its higher entropy. This suggests that 3R-CaSi{sub 2} should revert to 6R at elevated temperatures, which however is not observed up to 800 °C. 3R-CaSi{sub 2} may be stabilized by small amounts of incorporated hydrogen and/or defects. - Graphical abstract: The common 6R form of CaSi{sub 2} can be transformed quantitatively into 3R-CaSi{sub 2} upon sintering in a hydrogen atmosphere. - Highlights: • Quantitative and reproducible bulk synthesis of the rare 3R polymorph of CaSi{sub 2}. • Clarification of the energetic relation between 3R and conventional 6R form. • 3R-CaSi{sub 2} is presumably stabilized by small amounts of incorporated hydrogen and/or defects.

  4. Vladimirivanovite, Na6Ca2[Al6Si6O24](SO4,S3,S2,Cl)2 · H2O, a new mineral of sodalite group

    NASA Astrophysics Data System (ADS)

    Sapozhnikov, A. N.; Kaneva, E. V.; Cherepanov, D. I.; Suvorova, L. F.; Levitsky, V. I.; Ivanova, L. A.; Reznitsky, L. Z.

    2012-12-01

    The results of an examination of vladimirivanovite, a new mineral of the sodalite group, found at the Tultui deposit in the Baikal region are discussed. The mineral occurs in the form of outer rims (0.01-3 mm thick) of lazurite, elongated segregations without faced crystals (0.2 to 3-4 mm in size; less frequently, 4 × 12-15 × 20 mm), and rare veinlets (up to 5 mm) hosted in calciphyre and marble. Vladimirivanovite is irregular and patchy dark blue. The mineral is brittle; on average, the microhardness VHN is 522-604, 575 kg/mm2; and the Mohs hardness is 5.0-5.5. The measured and calculated densities are 2.48(3) and 2.436 g/cm3, respectively. Vladimirivanovite is optically biaxial; 2 V meas = 63(±1)°, 2 V calc = 66.2°; the refractive indices are α = 1.502-1.507 (±0.002), N m = 1.509-1.514 (±0.002), and N g = 1.512-1.517 (±0.002). The chemical composition is as follows, wt %: 32.59 SiO2, 27.39 Al2O3, 7.66 CaO, 17.74 Na2O, 11.37 SO3, 1.94 S, 0.12 Cl, and 1.0 H2O; total is 99.62. The empirical formula calculated based on (Si + Al) = 12 with sulfide sulfur determined from the charge balance is Na6.36Ca1.52(Si6.03Al5.97)Σ12O23.99(SO4)1.58(S3)0.17(S2)0.08 · Cl0.04 · 0.62H2O; the idealized formula is Na6Ca2[Al6Si6O24](SO4,S3,S2,Cl)2 · H2O. The new mineral is orthorhombic, space group Pnaa; the unit-cell dimensions are a = 9.066, b = 12.851, c = 38.558 Å, V = 4492 Å3, and Z = 6. The strongest reflections in the X-ray powder diffraction pattern ( dÅ— I[ hkl]) are: 6.61-5[015], 6.43-11[020, 006], 3.71-100[119, 133], 2.623-30[20.12, 240], 2.273-6[04.12], 2.141-14[159, 13.15], 1.783-9[06.12, 04.18], and 1.606-6[080, 00.24]. The crystal structure has been solved with a single crystal. The mineral was named in memoriam of Vladimir Georgievich Ivanov (1947-2002), Russian mineralogist and geochemist. The type material of the mineral is deposited at the Mineralogical Museum of St. Petersburg State University, St. Petersburg, Russia.

  5. Dehydration and partial melting of tremolitic amphibole coexisting with zoisite, quartz, anorthite, diopside, and water in the system H2O-CaO-MgO-Al2O3-SiO2

    NASA Astrophysics Data System (ADS)

    Quirion, Diane M.; Jenkins, David M.

    The greenschist to amphibolite transition as modeled by the reaction zoisite+tremolite + quartz= anorthite+diopside+water has been experimentally investigated in the chemical system H2O-CaO- MgO-Al2O3-SiO2 over the range of 0.4-0.8 GPa. This reaction is observed to lie within the stability fields of anorthite + water and of zoisite + quartz, in accord with phase equilibrium principles, and its position is in excellent agreement with the boundary calculated from current internally-consistent data bases. The small dP/dT slope of 0.00216 GPa/K (21.6 bars/K) observed for this reaction supports the pressure-dependency of this transition in this chemical system. Experimental reversals of the Al content in tremolitic amphibole coexisting with zoisite, diopside, quartz, and water were obtained at 600, 650, and 700°C and indicated Al total cations (atoms per formula unit, apfu) of only up to 0.5+/-0.08 at the highest temperature. Thermodynamic analysis of these and previous compositional reversal data for tremolitic amphibole indicated that, of the activity/composition relationships considered, a two-site-coupled cation substitution model yielded the best fit to the data and a S0 (1 bar, 298 K) of 575.4+/-1.6 J/K.mol for magnesio-hornblende. The calculated isopleths of constant Al content in the amphibole are relatively temperature sensitive with Al content increasing with increasing temperature and pressure. Finally, several experiments in the range of 1.0-1.3 GPa were conducted to define the onset of melting, and thus the upper-thermal limit, for this mineral assemblage, which must involve an invariant point located at approximately 1.05 GPa and 770°C.

  6. An X-ray micro-fluorescence study to investigate the distribution of Al, Si, P and Ca ions in the surrounding soft tissue after implantation of a calcium phosphate-mullite ceramic composite in a rabbit animal model.

    PubMed

    Martin, Richard A; Jaffer, Zahira; Tripathi, Garima; Nath, Shekhar; Mohanty, Mira; Fitzgerald, Victoria; Lagarde, Pierre; Flank, Anne-Marie; Stamboulis, Artemis; Basu, Bikramjit

    2011-11-01

    Synthetic calcium phosphates, despite their bioactivity, are brittle. Calcium phosphate- mullite composites have been suggested as potential dental and bone replacement materials which exhibit increased toughness. Aluminium, present in mullite, has however been linked to bone demineralisation and neurotoxicity: it is therefore important to characterise the materials fully in order to understand their in vivo behaviour. The present work reports the compositional mapping of the interfacial region of a calcium phosphate--20 wt% mullite biocomposite/soft tissue interface, obtained from the samples implanted into the long bones of healthy rabbits according to standard protocols (ISO-10993) for up to 12 weeks. X-ray micro-fluorescence was used to map simultaneously the distribution of Al, P, Si and Ca across the ceramic-soft tissue interface. A well defined and sharp interface region was present between the ceramic and the surrounding soft tissue for each time period examined. The concentration of Al in the surrounding tissue was found to fall by two orders of magnitude, to the background level, within ~35 μm of the implanted ceramic.

  7. Experimentally dictated stability of carbonated oceanic crust to moderately great depths in the Earth: Results from the solidus determination in the system CaO-MgO-Al2O3-SiO2-CO2

    NASA Astrophysics Data System (ADS)

    Keshav, Shantanu; Gudfinnsson, Gudmundur H.

    2010-05-01

    Solidus melting phase relations are reported for carbonated eclogite in the system CaO-MgO-Al2O3-SiO2-CO2 at 12 to 25 GPa. From 12 to 16 GPa, melts are in equilibrium with clinopyroxene, stishovite, garnet, aragonite, and magnesite. At 20 and 25 GPa, melts are in equilibrium with garnet, stishovite, calcium-alumino silicate, calcium perovskite, and magnesite. Melting reactions demonstrate that from 12 to 16 GPa, stishovite is in reaction with the melt. At 20 and 25 GPa, garnet and stishovite together are produced upon melting of model, carbonated eclogite. At 20 and 25 GPa, calcium perovskite is also the phase that contributes the most toward liquid production. Melt compositions at all pressures are carbonatitic, with roughly 37-40 wt% dissolved CO2. From 12 to 16 GPa, the liquids are calciocarbonatites with Ca#molar of ˜69-71; liquid compositions become less calcic with Ca# of ˜52-55 at 20 and 25 GPa. Given these melting phase relations, suitable subduction zone adiabats do not intersect the solidus of model carbonated eclogite at depths investigated in the present study. Hence, on this basis, it is fair to say that carbonated eclogite possibly avoids melting in subduction zone settings, thereby delivering carbonate to at least moderate depths in the Earth. However, owing to local heating events, small-degree melting of carbonated eclogite is not completely precluded, and the liquids liberated from this melting can be viewed as agents of chemical mass transfer in the deep Earth. At present, however, geochemical consequences of subduction-related melting of carbonated eclogite are difficult to evaluate.

  8. Crystallization control for remediation of an FetO-rich CaO-SiO2-Al2O3-MgO EAF waste slag.

    PubMed

    Jung, Sung Suk; Sohn, Il

    2014-01-01

    In this work, the crystallization behavior of synthesized FetO-rich electric arc furnace (EAF) waste slags with a basicity range of 0.7 to 1.08 was investigated. Crystal growth in the melts was observed in situ using a confocal laser scanning microscope, and a delayed crystallization for higher-basicity samples was observed in the continuous cooling transformation and time temperature transformation diagrams. This result is likely due to the polymerization of the melt structure as a result of the increased number of network-forming FeO4 and AlO4 units, as suggested by Raman analysis. The complex incorporation of Al and Fe ions in the form of AlO4 and FeO4 tetrahedral units dominant in the melt structure at a higher basicity constrained the precipitation of a magnetic, nonstoichiometric, and Fe-rich MgAlFeO4 primary phase. The growth of this spinel phase caused a clear compositional separation from amorphous phase during isothermal cooling at 1473 K leading to a clear separation between the primary and amorphous phases, allowing an efficient magnetic separation of Fe compounds from the slag for effective remediation and recycling of synthesized EAF waste slags for use in higher value-added ordinary Portland cement.

  9. Synthesis of crystalline Si-based nanosheets by extraction of Ca from CaSi2 in inositol hexakisphosphate solution

    NASA Astrophysics Data System (ADS)

    Meng, Xiang; Sasaki, Kenta; Sano, Koki; Yuan, Peiling; Tatsuoka, Hirokazu

    2017-05-01

    Crystalline Si-based nanosheets were successfully synthesized from CaSi2 by a simple soft chemical synthetic method in solution. By immersing CaSi2 powder or CaSi2/Si substrates in an inositol hexakisphosphate (IP6) solution, Ca atoms were extracted from the CaSi2 particles, then Si-based nanosheets were formed. The morphological, structural and optical properties of the Si-based nanosheets were investigated. It is noted that the thin Si-based nanosheets stacked with a void space formed bundle structures, and the nanosheets were easily exfoliated from the bundles to expose the surfaces corresponding to the Si{111} planes. Meanwhile, the surface of the Si nanosheets might be terminated by O, H, or OH bonds. The Si-based nanosheet bundles were then formed and directly rooted to the Si(111) substrates, and had a remarkably highly symmetrical morphology. This study demonstrated a simple method for preparing Si-based nanosheets, and electro- and photo-chemical applications would possibly be expected, such as in lithium ion batteries.

  10. Biachellaite, (Na,Ca,K)8(Si6Al6O24)(SO4)2(OH)0.5 · H2O, a new mineral species of the cancrinite group

    NASA Astrophysics Data System (ADS)

    Chukanov, N. V.; Rastsvetaeva, R. K.; Pekov, I. V.; Zadov, A. E.; Allori, R.; Zubkova, N. V.; Giester, G.; Puscharovsky, D. Yu.; van, K. V.

    2009-12-01

    Biachellaite, a new mineral species of the cancrinite group, has been found in a volcanic ejecta in the Biachella Valley, Sacrofano Caldera, Latium region, Italy, as colorless isometric hexagonal bipyramidal-pinacoidal crystals up to 1 cm in size overgrowing the walls of cavities in a rock sample composed of sanidine, diopside, andradite, leucite and hauyne. The mineral is brittle, with perfect cleavage parallel to {10 bar 1 0} and imperfect cleavage or parting (?) parallel to {0001}. The Mohs hardness is 5. Dmeas = 2.51(1) g/cm3 (by equilibration with heavy liquids). The densities calculated from single-crystal X-ray data and from X-ray powder data are 2.515 g/cm3 and 2.520 g/cm3, respectively. The IR spectrum demonstrates the presence of SO{4/2-}, H2O, and absence of CO{3/2-}. Biachellaite is uniaxial, positive, ω = 1.512(1), ɛ = 1.514(1). The weight loss on ignition (vacuum, 800°C, 1 h) is 1.6(1)%. The chemical composition determined by electron microprobe is as follows, wt %: 10.06 Na2O, 5.85 K2O, 12.13 CaO, 26.17 Al2O3, 31.46 SiO2, 12.71 SO3, 0.45 Cl, 1.6 H2O (by TG data), -0.10 -O=Cl2, total is 100.33. The empirical formula ( Z = 15) is (Na3.76Ca2.50K1.44)Σ7.70(Si6.06Al5.94O24)(SO4)1.84Cl0.15(OH)0.43 · 0.81H2O. The simplified formula is as follows: (Na,Ca,K)8(Si6Al6O24)(SO4)2(OH)0.5 · H2O. Biachellaite is trigonal, space group P3, a =12.913(1), c = 79.605(5) Å; V = 11495(1) Å3. The crystal structure of biachellaite is characterized by the 30-layer stacking sequence ( ABCABCACACBACBACBCACBACBACBABC)∞. The tetrahedral framework contains three types of channels composed of cages of four varieties: cancrinite, sodalite, bystrite (losod) and liottite. The strongest lines of the X-ray powder diffraction pattern [ d, Å ( I, %) ( hkl)] are as follows: 11.07 (19) (100, 101), 6.45 (18) (110, 111), 3.720 (100) (2.1.10, 300, 301, 2.0.16, 302), 3.576 (18) (1.0.21, 2.0.17, 306), 3.300 (47) (1.0.23, 2.1.15), 3.220 (16) (2.1.16, 222). The type material of

  11. Wetting of polycrystalline SiC by molten Al and Al-Si alloys

    NASA Astrophysics Data System (ADS)

    Cong, Xiao-Shuang; Shen, Ping; Wang, Yi; Jiang, Qichuan

    2014-10-01

    The wetting of α-SiC by molten Al and Al-Si alloys was investigated using a dispensed sessile drop method in a high vacuum. In the Al-SiC system, representative wetting stages were identified. The liquid spreading was initially controlled by the deoxidation of the SiC surface and then by the formation of Al4C3 at the interface. The intrinsic contact angle for molten Al on the polycrystalline α-SiC surface was suggested to be lower than 90̊ provided that the oxide films covering the Al and SiC surfaces were removed, i.e., the system is partial wetting in nature. An increase in the Si concentration in liquid Al weakened the interfacial reaction but improved the final wettability. The role of the Si addition on the wetting was presumably attributed to its segregation at the interface and the formation of strong chemical bonds with the SiC surface.

  12. Thermodynamic modeling of non-ideal mineral-fluid equilibria in the system Si-Al-Fe-Mg-Ca-Na-K-H-O-Cl at elevated temperatures and pressures: Implications for hydrothermal mass transfer in granitic rocks

    NASA Astrophysics Data System (ADS)

    Dolejš, David; Wagner, Thomas

    2008-01-01

    We present the results of thermodynamic modeling of fluid-rock interaction in the system Si-Al-Fe-Mg-Ca-Na-H-O-Cl using the GEM-Selektor Gibbs free energy minimization code. Combination of non-ideal mixing properties in solids with multicomponent aqueous fluids represents a substantial improvement and it provides increased accuracy over existing modeling strategies. Application to the 10-component system allows us to link fluid composition and speciation with whole-rock mineralogy, mass and volume changes. We have simulated granite-fluid interaction over a wide range of conditions (200-600 °C, 100 MPa, 0-5 m Cl and fluid/rock ratios of 10-2-104) in order to explore composition of magmatic fluids of variable salinity, temperature effects on fluid composition and speciation and to simulate several paths of alteration zoning. At low fluid/rock ratios (f/r) the fluid composition is buffered by the silicate-oxide assemblage and remains close to invariant. This behavior extends to a f/r of 0.1 which exceeds the amount of exsolved magmatic fluids controlled by water solubility in silicate melts. With increasing peraluminosity of the parental granite, the Na-, K- and Fe-bearing fluids become more acidic and the oxidation state increases as a consequence of hydrogen and ferrous iron transfer to the fluid. With decreasing temperature, saline fluids become more Ca- and Na-rich, change from weakly acidic to alkaline, and become significantly more oxidizing. Large variations in Ca/Fe and Ca/Mg ratios in the fluid are a potential geothermometer. The mineral assemblage changes from cordierite-biotite granites through two-mica granites to chlorite-, epidote- and zeolite-bearing rocks. We have carried out three rock-titration simulations: (1) reaction with the 2 m NaCl fluid leads to albitization, chloritization and desilication, reproducing essential features observed in episyenites, (2) infiltration of a high-temperature fluid into the granite at 400 °C leads to hydrolytic

  13. Crystal and electronic structures of CaAl{sub 2}Si{sub 2}-type rare-earth copper zinc phosphides RECuZnP{sub 2} (RE=Pr, Nd, Gd-Tm, Lu)

    SciTech Connect

    Blanchard, Peter E.R.; Stoyko, Stanislav S.; Cavell, Ronald G.; Mar, Arthur

    2011-01-15

    The quaternary rare-earth phosphides RECuZnP{sub 2} (RE=Pr, Nd, Gd-Tm, Lu) have been prepared by reaction of the elements at 900 {sup o}C, completing this versatile series which forms for nearly all RE metals. They adopt the trigonal CaAl{sub 2}Si{sub 2}-type structure (Pearson symbol hP5, space group P3-bar m1, Z=1), as confirmed by single-crystal X-ray diffraction analysis on ErCuZnP{sub 2} and powder X-ray diffraction analysis on the remaining members. The Cu and Zn atoms are assumed to be disordered over the single transition-metal site. Band structure calculations on a hypothetically ordered YCuZnP{sub 2} model suggest a semimetal, with a zero band gap between the valence and conduction bands. This electronic structure is supported by XPS valence band spectra for RECuZnP{sub 2} (RE=Gd-Er), in which the intensity drops off smoothly at the Fermi edge. The absence of a band gap permits the electron count to deviate from the precise value of 16 e{sup -} per formula unit, as demonstrated by the formation of a solid solution in GdCu{sub x}Zn{sub 2-x}P{sub 2} (1.0{<=}x{<=}1.3), while still retaining the CaAl{sub 2}Si{sub 2}-type structure. Because the Cu 2p XPS spectra indicate that the Cu atoms are always monovalent, the substitution of Cu for Zn leads to a decrease in electron count and a lowering of the Fermi level in the valence band. The magnetic susceptibility of RECuZnP{sub 2} (RE=Gd-Er), which obeys the Curie-Weiss law, confirms the presence of trivalent RE atoms. -- Graphical abstract: The absence of a band gap in the semimetallic quaternary rare-earth phosphides RECuZnP{sub 2} permits the formation of a solid solution such as GdCu{sub x}Zn{sub 2-x}P{sub 2} through hole-doping of the valence band. Display Omitted

  14. A thermodynamic model for subsolidus equilibria in the system CaO-MgO-Al2O3-SiO2

    NASA Technical Reports Server (NTRS)

    Wood, B. J.; Holloway, J. R.

    1984-01-01

    It is shown that the high temperature enthalpy of solution data for pure phases and solid solutions in the CMAS system are, for 'gabbroic' and 'peridotitic' compositions, consistent with available phase equilibrium data for the MAS, CAS and CMAS systems. A refined set of values of thermodynamic properties for these phases and solid solutions is tabulated. The small differences between the new data set and that of Helgeson et al. (1978) arise from new data on heat capacity and enthalpy being incorporated. The important constraints applied and the major difficulties in fitting which arose are summarized.

  15. Glass-Ceramic Material from the SiO2-Al2O3-CaO System Using Sugar-Cane Bagasse Ash (SCBA)

    NASA Astrophysics Data System (ADS)

    Teixeira, S. R.; Romero, M.; Ma Rincón, J.; Magalhães, R. S.; Souza, A. E.; Santos, G. T. A.; Silva, R. A.

    2011-10-01

    Brazil is the world's largest producer of alcohol and sugar from sugarcane. Currently, sugarcane bagasse is burned in boilers to produce steam and electrical energy, producing a huge volume of ash. The major component of the ash is SiO2, and among the minor components there are some mineralizing agents or fluxing. Published works have shown the potential of transforming silicate-based residues into glass-ceramic products of great utility. This work reports the research results of SCBA use to produce glass-ceramics with wollastonite, rankinite and gehlenite as the major phases. These silicates have important applications as building industry materials, principally wollastonite, due to their special properties: high resistance to weathering, zero water absorption, and hardness among others. The glasses (frits) were prepared mixing ash, calcium carbonate and sodium or potassium carbonates as flux agents, in different concentrations. X-ray fluorescence was used to determine the chemical composition of the glasses and their crystallization was assessed by using thermal analysis (DTA/DSC/TGA) and X-ray diffraction. The crystallization kinetics was evaluated using the Kissinger method, giving activation energies ranging from 200 to 600 kJ/mol.

  16. Solubility of iron among plagioclase, clinopyroxene and silicate liquid in the system CaO-MgO-Al/sub 2/O/sub 3/ - SiO/sub 2/-Fe-O

    SciTech Connect

    Virgo, D.; Mysen, B.O.

    1985-01-01

    The 1-atm liquidus of the system diopside-anorthite + 10wt% ferric iron is lower (approx. 30/sup 0/C) for end-member compositions but the temperature and projected (Fe-free) composition of the minimum melt are unchanged. The effect of fO/sub 2/ on the liquidus curve is minimal. The major element compositions, the structural state of iron and the ferrous/ferric ratio of existing crystal-liquid pairs have been determined using electron microprobe analyses and /sup 57/Fe Mossbauer spectroscopy. For anorthite-liquid pairs, the partition coefficient, D(Fe) (equal to (Fe in xtal)/(Fe in liquid)) decreases with increasing temperature and with increasing anorthite/diopside ratio, at fixed fO/sub 2/. The effect of bulk composition on D(Fe) predominates over the relatively weak temperature dependence (Longhi et al. 1976). Significantly, at fixed temperature and anorthite/diopside ratio, D(Fe) decreases linearly with fO/sub 2/ from 0.25 (log fO/sub 2/=-0.68) to 0.05 (log fO/sub 2/=-6.0). The increase in D(Fe) with increasing fO/sub 2/ is accompanied by an increase in the ferric iron content of the feldspar lattice. The mechanisms for incorporation of iron in synthetic anorthite are Fe(3+)-Al under oxidizing conditions and Fe(2+), Si-2Al under reducing conditions. The use of D(Fe) as an oxygen barometer is considered. D(Fe) for the system diopside-Fe/sub 2/O/sub 3/ is not strongly fO/sub 2/-dependent at constant temperature. The incorporation of iron in liquidus pyroxene is via the Fe(2+)-Ca substitution. Ferric iron acts as an inert diluent in these melts. Tschermak's substitution is discussed for igneous, ferric-bearing clinopyroxenes.

  17. A Sulfide Capacity Prediction Model of CaO-SiO2-MgO-FeO-MnO-Al2O3 Slags during the LF Refining Process Based on the Ion and Molecule Coexistence Theory

    NASA Astrophysics Data System (ADS)

    Yang, Xue-Min; Zhang, Meng; Shi, Cheng-Bin; Chai, Guo-Ming; Zhang, Jian

    2012-04-01

    A sulfide capacity prediction model of CaO-SiO2-MgO-FeO-MnO-Al2O3 ladle furnace (LF) refining slags has been developed based on the ion and molecule coexistence theory (IMCT). The predicted sulfide capacity of the LF refining slags has better accuracy than the measured sulfide capacity of the slags at the middle and final stages during the LF refining process. Increasing slag binary basicity, optical basicity, and the Mannesmann index can lead to an increase of the predicted sulfide capacity for the LF refining slags as well as to an increase of the sulfur distribution ratio between the slags and molten steel at the middle and final stages during the LF refining process. The calculated equilibrium mole numbers, mass action concentrations of structural units or ion couples, rather than mass percentages of components, are recommended to represent the slag composition for correlating with the sulfide capacity of the slags. The developed sulfide capacity IMCT model can calculate not only the total sulfide capacity of the slags but also the respective sulfide capacity of free CaO, MgO, FeO, and MnO in the slags. The comprehensive contribution of the combined ion couples (Ca2+ + O2-) and (Mn2+ + O2-) on the desulfurization reactions accounts for 96.23 pct; meanwhile, the average contribution of the ion couple (Fe2+ + O2-) and (Mg2+ + O2-) only has a negligible contribution as 3.13 pct and 0.25 pct during the LF refining process, respectively. The oxygen activity of bulk molten steel in LF is controlled by the [Al]-[O] equilibrium, and the oxygen activity of molten steel at the slag-metal interface is controlled by the (FeO)-[O] equilibrium. The ratio of the oxygen activity of molten steel at the slag-metal interface to the oxygen activity of bulk molten steel will decrease from 37 to 5 at the initial stage, and further decrease from 28 to 4 at the middle stage, but will maintain at a reliable constant as 5 to 14 at the final stage during the LF refining process. The

  18. Post-magmatic solid solutions of CaCeAl2(Fe3+ 2/3□1/3)[Si2O7][SiO4]O(OH), allanite-(Ce) and REE-bearing epidote in miarolitic pegmatites of Permian Baveno granite (Verbania, central-southern alps, Italy)

    NASA Astrophysics Data System (ADS)

    Guastoni, Alessandro; Nestola, Fabrizio; Schiazza, Mariangela

    2017-06-01

    CaCeAl2(Fe3+ 2/3□1/3)[Si2O7][SiO4]O(OH), allanite-(Ce) and rare earth element (REE)-bearing epidote occur as globular aggregates and platy prismatic crystals in miarolitic cavities in a niobium, yttrium, fluorine (NYF) granitic pegmatite at Baveno, Verbania, Southern Alps, Italy. These samples were investigated by means of an electron probe micro-analyser (EPMA) and single-crystal X-ray diffraction. Our EPMA results show that the globular aggregates have the highest REE content in the core portion and decreases to REE-bearing epidote towards the rim whereas the prismatic crystals are characterized by marked oscillatory zoning that have the highest REE contents at the rim of the crystal. The unit-cell parameters of "allanites" have an intermediate unit-cell between CaCeAl2(Fe3+ 2/3□1/3)[Si2O7][SiO4]O(OH), allanite-(Ce) and REE-free epidote, because reflect the strong chemical heterogeneity of the samples which form complete solid solutions. Hydrothermal fluids control the activity and precipitation of incompatible elements like high field strength elements (HFSE), Sc and REE by hydrous F-rich fluids below the critical temperature which allow to deposit accessory minerals in the cavities with decreasing temperature. The source of REE and Y are the sheet and REE-silicates like siderophyllite-annite, and gadolinite-(Y) which underwent partial to complete decomposition by the activity of aggressive F-rich hydrothermal fluids.

  19. Post-magmatic solid solutions of CaCeAl2(Fe3+ 2/3□1/3)[Si2O7][SiO4]O(OH), allanite-(Ce) and REE-bearing epidote in miarolitic pegmatites of Permian Baveno granite (Verbania, central-southern alps, Italy)

    NASA Astrophysics Data System (ADS)

    Guastoni, Alessandro; Nestola, Fabrizio; Schiazza, Mariangela

    2016-09-01

    CaCeAl2(Fe3+ 2/3□1/3)[Si2O7][SiO4]O(OH), allanite-(Ce) and rare earth element (REE)-bearing epidote occur as globular aggregates and platy prismatic crystals in miarolitic cavities in a niobium, yttrium, fluorine (NYF) granitic pegmatite at Baveno, Verbania, Southern Alps, Italy. These samples were investigated by means of an electron probe micro-analyser (EPMA) and single-crystal X-ray diffraction. Our EPMA results show that the globular aggregates have the highest REE content in the core portion and decreases to REE-bearing epidote towards the rim whereas the prismatic crystals are characterized by marked oscillatory zoning that have the highest REE contents at the rim of the crystal. The unit-cell parameters of "allanites" have an intermediate unit-cell between CaCeAl2(Fe3+ 2/3□1/3)[Si2O7][SiO4]O(OH), allanite-(Ce) and REE-free epidote, because reflect the strong chemical heterogeneity of the samples which form complete solid solutions. Hydrothermal fluids control the activity and precipitation of incompatible elements like high field strength elements (HFSE), Sc and REE by hydrous F-rich fluids below the critical temperature which allow to deposit accessory minerals in the cavities with decreasing temperature. The source of REE and Y are the sheet and REE-silicates like siderophyllite-annite, and gadolinite-(Y) which underwent partial to complete decomposition by the activity of aggressive F-rich hydrothermal fluids.

  20. Activity coefficients of NiO and CoO in CaO-Al2O3-SiO2 slag and their application to the recycling of Ni-Co-Fe-based end-of-life superalloys via remelting

    NASA Astrophysics Data System (ADS)

    Lu, Xin; Miki, Takahiro; Nagasaka, Tetsuya

    2017-01-01

    To design optimal pyrometallurgical processes for nickel and cobalt recycling, and more particularly for the end-of-life process of Ni-Co-Fe-based end-of-life (EoL) superalloys, knowledge of their activity coefficients in slags is essential. In this study, the activity coefficients of NiO and CoO in CaO-Al2O3-SiO2 slag, a candidate slag used for the EoL superalloy remelting process, were measured using gas/slag/metal equilibrium experiments. These activity coefficients were then used to consider the recycling efficiency of nickel and cobalt by remelting EoL superalloys using CaO-Al2O3-SiO2 slag. The activity coefficients of NiO and CoO in CaO-Al2O3-SiO2 slag both show a positive deviation from Raoult's law, with values that vary from 1 to 5 depending on the change in basicity. The activity coefficients of NiO and CoO peak in the slag with a composition near B = (%CaO)/(%SiO2) = 1, where B is the basicity. We observed that controlling the slag composition at approximately B = 1 effectively reduces the cobalt and nickel oxidation losses and promotes the oxidation removal of iron during the remelting process of EoL superalloys.

  1. Synthesis of cement based CaO-Al{sub 2}O{sub 3}-SiO{sub 2}-H{sub 2}O (CASH) hydroceramics at 200 and 250 deg. C: Ex-situ and in-situ diffraction

    SciTech Connect

    Meller, Nicola . E-mail: Nicola.Meller@ed.ac.uk; Hall, Christopher; Kyritsis, Konstantinos; Giriat, Gaetan

    2007-06-15

    Hydroceramic compositions in the CaO-Al{sub 2}O{sub 3}-SiO{sub 2}-H{sub 2}O (CASH) system have potential as geothermal well sealants as well as autoclaved construction materials. We report new data on phase compositions and reaction rates in hydrothermal syntheses at 200 deg. C and 250 deg. C using a commercial API Class G oilwell cement alone, and at 200 deg. C with additions of silica flour and of corundum (alumina). Curing times were in the range 1-240 h. We use both ex-situ laboratory X-ray diffraction and in-situ synchrotron energy-dispersive X-ray diffraction to track rates of reaction. When cement only is hydrated, jaffeite, {alpha}-C{sub 2}SH and portlandite are formed. When silica flour is added a precursory gel forms prior to the crystalline calcium silicate hydrate phases xonotlite and gyrolite. Both XRD and EDD data suggest that the addition of silica flour retards the hydration of the cement at early times (< 24 h). In alumina-containing systems the rate of consumption of clinker phases is the same as in cement only systems. Jaffeite and {alpha}-C{sub 2}SH occur as intermediates but the major end product is a siliceous katoite-type hydrogarnet. Quantitative phase analysis using Rietveld refinement of ex-situ diffraction data gives results which are mostly consistent with stoichiometric constraints in all three systems examined here.

  2. Thermal Conductivity of Molten Silicate of Al2O3-CaO-Na2O-SiO2 Measured by Means of a Front Heating-Front Detection Laser Flash Method

    NASA Astrophysics Data System (ADS)

    Hasegawa, Hiroki; Kowatari, Takaya; Shiroki, Yasuhiro; Shibata, Hiroyuki; Ohta, Hiromichi; Waseda, Yoshio

    2012-12-01

    Thermal conductivity values have been systematically obtained for molten silicates containing Al2O3, CaO, Na2O, and SiO2 by means of a front heating-front detection laser flash method. The measurements were made for 13 samples in the temperature range between 1073 K and 1823 K (800 °C and 1550 °C), depending on the composition. Thermal conductivities of the silicate melts are found to be relatively insensitive to the variation of temperature, but they depend on the composition ratio, particularly the ratio of Non-Bridging Oxygen ions per Tetrahedrally coordinated cation—NBO/T. The thermal conductivity values decrease from 2.8 W/mK to 1.5 W/mK with the NBO/T value until it reaches about 1. Thermal conductivity values become constant for silicate melts with a higher value of NBO/T. It is known that the length of the silicate chain decreases with disconnection by the addition of alkaline earth cation or alkaline cation. The strong correlation between thermal conductivity and NBO/T is quite likely to suggest that silicate chain is a preferential path for heat transport in silicate melts.

  3. Structural characterization of glass-ceramics made from fly ash containing SiO2-Al2O3-Fe2O3-CaO and analysis by FT-IR-XRD-SEM methods

    NASA Astrophysics Data System (ADS)

    Yilmaz, G.

    2012-07-01

    The glass-ceramics has been proposed as a useful recycling fly ash from thermal power plants. In this study, C type fly ash containing SiO2-Al2O3-Fe2O3-CaO has been sintered to form glass-ceramic materials at different temperatures between 850 °C and 1050 °C after using powder processing based on milling and powder compaction without inorganic additives. The effect of firing temperatures between 850 °C and 1050 °C on mineralogy and microstructure of sintered samples is reported. The Fourier Transform Infrared Spectra (FT-IR), Differential Thermal Analysis (DTA), X-ray Diffraction (XRD) and Scanning Electron Microscopy (SEM) techniques were applied on the sintered powder form. From the XRD results, the amount of quartz decreases on sintering, when the sintering temperature increases. On the basis of SEM observations, new crystallites structure developed in the microstructures of the C type of fly ash samples and the glassy region decreased at the crystallization temperature.

  4. Effect of the Cr2O3 and TiO2 as nucleating agents in SiO2-Al2O3-CaO-MgO glass-ceramic system

    NASA Astrophysics Data System (ADS)

    Back, Gu-Seul; Yoon, Mi-Jung; Jung, Woo-Gwang

    2017-07-01

    The nucleation agent is one of the most important factors in glass-ceramics as it can control either the crystallization temperature or the activation energy. In this study, we investigated the effect of two common nucleation agents, TiO2 and Cr2O3, in the SiO2-Al2O3-CaO-MgO system. To determine the effect of TiO2 and Cr2O3 on nucleation, we measured the crystallization temperature by differential scanning calorimetry (DSC) scanning. To determine the activation energy of nucleation, the DSC scanning was made for the selected samples at various speeds. Also, the crystallinity of the selected sample was evaluated from the scattering intensity in X-ray diffractometry. Using DSC scanning, we found that TiO2 was effective in decreasing the crystallization temperature, while Cr2O3 was effective in decreasing the activation energy. We also performed nucleation heat treatment near the glass transition point. It is found that nucleation heat treatment was not effective in decreasing the crystallization temperature in our experimental condition. The XRD scattering method results showed that temperature is the key factor in crystallization and the effect of time is not as important.

  5. EFFECT OF TiO2 ON STRUCTURE AND DIELECTRIC PROPERTIES OF RO-Al2O3-B2O3-SiO2(R = Ca, Mg) GLASSES

    NASA Astrophysics Data System (ADS)

    Zhang, Xuehong; Du, Zhao; Wu, Haitao; Yue, Yunlong

    2013-04-01

    RO-Al2O3-B2O3-SiO2(R = Ca, Mg) glasses containing different concentrations of TiO2 (ranging from 0 to 9 mol.%) were prepared by conventional melting method. When TiO2 was present in lower concentrations (≤ 6 mol.%), Fourier-transform infrared spectroscopy (FTIR) indicated that titanium ions took part in network forming positions. However, for further increase in the concentration of TiO2 (> 6 mol.%), FTIR data indicated the formation of TiO4 tetrahedrons and TiO6 octahedrons. The glass transition temperatures (Tg) were determined using a differential scanning calorimetry (DSC). The Tg variation with the concentration of TiO2 showed an increasing trend up to 6 mol.% of TiO2 and beyond this concentration, Tg was found to decrease. The dielectric constant ɛr and loss tan δ continued to decrease with the concentration of TiO2 up to 6 mol.% and beyond that ɛr and tan δ were found to increase. This behavior was mainly explained in terms of the rigidity of glass network.

  6. 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.

  7. In vitro and in vivo evaluation of zinc-modified ca-si-based ceramic coating for bone implants.

    PubMed

    Yu, Jiangming; Li, Kai; Zheng, Xuebin; He, Dannong; Ye, Xiaojian; Wang, Meiyan

    2013-01-01

    The host response to calcium silicate ceramic coatings is not always favorable because of their high dissolution rates, leading to high pH within the surrounding physiological environment. Recently, a zinc-incorporated calcium silicate-based ceramic Ca2ZnSi2O7 coating, developed on a Ti-6Al-4V substrate using plasma-spray technology, was found to exhibit improved chemical stability and biocompatibility. This study aimed to investigate and compare the in vitro response of osteoblastic MC3T3-E1 cells cultured on Ca2ZnSi2O7 coating, CaSiO3 coating, and uncoated Ti-6Al-4V titanium control at cellular and molecular level. Our results showed Ca2ZnSi2O7 coating enhanced MC3T3-E1 cell attachment, proliferation, and differentiation compared to CaSiO3 coating and control. In addition, Ca2ZnSi2O7 coating increased mRNA levels of osteoblast-related genes (alkaline phosphatase, procollagen α1(I), osteocalcin), insulin-like growth factor-I (IGF-I), and transforming growth factor-β1 (TGF-β1). The in vivo osteoconductive properties of Ca2ZnSi2O7 coating, compared to CaSiO3 coating and control, was investigated using a rabbit femur defect model. Histological and histomorphometrical analysis demonstrated new bone formation in direct contact with the Ca2ZnSi2O7 coating surface in absence of fibrous tissue and higher bone-implant contact rate (BIC) in the Ca2ZnSi2O7 coating group, indicating better biocompatibility and faster osseointegration than CaSiO3 coated and control implants. These results indicate Ca2ZnSi2O7 coated implants have applications in bone tissue regeneration, since they are biocompatible and able to osseointegrate with host bone.

  8. Effect of addition of Si on thermal and electrical properties of Al-Si-Al2O3 composites

    NASA Astrophysics Data System (ADS)

    Cao, R.; Jiang, J. X.; Wu, C.; Jiang, X. S.

    2017-06-01

    Al-5wt.%Si-Al2O3, Al-10wt.%Si-Al2O3, Al-20wt.%Si-Al2O3 composites were fabricated by powder metallurgy and in-situ reactive synthesis technology. The impact of the addition of Si on the thermal and electrical properties was tested and analysed for vary in silicon content in Al-Si-Al2O3 composites. Results show that both thermal expansion coefficient and thermal conductivity decreased as silicon content increased because Si and Al2O3 dispersed in the Al matrix uniformly to suppress the high thermal expansion of Al to a large extent as well as the interfacial thermal resistance which led to the decline in thermal conductivity. Electrical resistivity increased when silicon content was increased because low thermal expansion coefficient particles of Si and Al2O3 severely damaged the continuity of the Al matrix which hindered movement of electron in the matrix.

  9. Roll Casting of Al-25%Si

    SciTech Connect

    Haga, Toshio; Harada, Hideto; Watari, Hisaki

    2011-05-04

    Strip casting of Al-25%Si strip was tried using an unequal diameter twin roll caster. The diameter of the lower roll (large roll) was 1000 mm and the diameter of the upper roll (small roll) was 250 mm. Roll material was mild steel. The sound strip could be cast at the speeds ranging from 8 m/min to 12 m/min. The strip did not stick to the roll without the parting material. The primary Si, which existed at centre area of the thickness direction, was larger than that which existed at other area. The size of the primary Si was smaller than 0.2 mm. Eutectic Si was smaller 5 {mu}m. The as-cast strip was ranging from 2 mm to 3 mm thick and its width was 100 mm. The as-cast strip could be hot rolled down to 1 mm. The hot rolled strip was cold rolled. The primary Si became smaller and the pore occurred around the primary Si after the rolling.

  10. Tissintite, (Ca, Na,${\\square}$)AlSi2O6, a highly-defective, shock-induced, high-pressure clinopyroxene in the Tissint martian meteorite

    SciTech Connect

    Ma, Chi; Tschauner, Oliver; Beckett, John R.; Liu, Yang; Rossman, George R.; Zhuravlev, Kirill; Prakapenka, Vitali; Dera, Przemyslaw; Taylor, Lawrence A.

    2015-04-24

    Here, tissintite is a new vacancy-rich, high-pressure clinopyroxene, with a composition essentially equivalent to plagioclase. It was discovered in maskelynite (shocked plagioclase) and is commonly observed included within, or in contact with, shock-melt pockets in the Tissint meteorite, a depleted olivine-phyric shergottite fall from Mars. The simple composition of tissintite (An58-69) and its precursor plagioclase (An59-69) together with the limited occurrence, both spatially (only in maskelynite less than ~25 μm of a shock melt pocket) and in terms of bulk composition, make tissintite a "goldilocks" phase. It formed during a shock event severe enough to allow nucleation and growth of vacancy-rich clinopyroxene from a melt of not too calcic and not too sodic plagioclase composition that was neither too hot nor too cold. With experimental calibration, these limitations on occurrence can be used to place strong constraints on the thermal history of a shock event. The kinetics for nucleation and growth of tissintite are probably slower for more-sodic plagioclase precursors, so tissintite is most likely to occur in depleted olivinephyric shergottites like Tissint and other highly shocked meteorites and lunar and terrestrial rocks that consistently contained calcic plagioclase precursors in the appropriate compositional range for a shock of given intensity. Tissintite, (Ca0.45Na0.31${\\square}$ 0.24)(Al0.97Fe0.03Mg0.01)(Si1.80Al0.20)O6, is a C2/c clinopyroxene, containing 42-60 mol% of the Ca-Eskola component, by far the highest known. The cell parameters are a = 9.21 (17) Å, b = 9.09 (4) Å, c = 5.20 (2) Å, β = 109.6 (9)°, V = 410 (8) Å3, Z = 4. The density is 3.32 g/cm(3) and we estimate a cell volume for the Ca-Eskola end-member pyroxene of 411 ±13 Å3, which is consistent with a previous estimate and, therefore, supports the importance

  11. Tunable color and energy transfer in single-phase white-emitting Ca{sub 20}Al{sub 26}Mg{sub 3}Si{sub 3}O{sub 68}:Ce{sup 3+},Dy{sup 3+} phosphors for UV white light-emitting diodes

    SciTech Connect

    Yuan, Bo; Song, Yanhua; Sheng, Ye; Zheng, Keyan; Zhou, Xiuqing; Ma, Pingchuan; Xu, Xuechun; Zou, Haifeng

    2015-12-15

    Ce{sup 3+} and/or Dy{sup 3+} activated Ca{sub 20}Al{sub 26}Mg{sub 3}Si{sub 3}O{sub 68} phosphors were synthesized by high temperature solid state reaction and their luminescent properties were studied. There are two emissions peaking at 407 and 577 nm in the emission spectra of Ca{sub 20}Al{sub 26}Mg{sub 3}Si{sub 3}O{sub 68}:Ce{sup 3+}, Dy{sup 3+}, which are due to the transitions of Ce{sup 3+} and Dy{sup 3+} ions, respectively. More importantly, the effective energy transfer from Ce{sup 3+} to Dy{sup 3+} ions has been confirmed and investigated by emission/excitation spectra and luminescent decay behaviors. Furthermore, the energy level scheme and mechanism of energy transfer were investigated and it was demonstrated to be resonant type via dipole–dipole reaction. Under the excitation of 345 nm, the emitting color can change from blue to white by adjusting the relative doping concentration of Ce{sup 3+} and Dy{sup 3+} ions, indicating that the phosphors Ca{sub 20}Al{sub 26}Mg{sub 3}Si{sub 3}O{sub 68}:Ce{sup 3+}, Dy{sup 3+} are promising single-phase white-emitting phosphors for application in pc-white LEDs. - Highlights: • The Ca{sub 20}Al{sub 26}Mg{sub 3}Si{sub 3}O{sub 68}:Ce{sup 3+},Dy{sup 3+} are novel luminescent materials that have not been reported before. • The crystal structure of Ca{sub 20}Al{sub 26}Mg{sub 3}Si{sub 3}O{sub 68} and energy transfer from Ce{sup 3+} to Dy{sup 3+} were investigated. • The emission color of Ca{sub 20}Al{sub 26}Mg{sub 3}Si{sub 3}O{sub 68}:Ce{sup 3+},Dy{sup 3+} can be adjusted from blue to white. • The phosphors have great application value in WLEDs as a kind of blue-to-white emitting phosphors.

  12. Investigation of Liquidus Temperatures and Phase Equilibria of Copper Smelting Slags in the FeO-Fe2O3-SiO2-CaO-MgO-Al2O3 System at PO2 10-8 atm

    NASA Astrophysics Data System (ADS)

    Henao, Hector M.; Nexhip, Colin; George-Kennedy, David P.; Hayes, P. C.; Jak, E.

    2010-08-01

    Copper concentrates and fluxes can contain variable levels of SiO2, CaO, and MgO in addition to main components Cu, Fe, and S. Metal recovery, slag tapping, and furnace wall integrity all are dependent on phase equilibria and other properties of the phases and are functions of slag composition and operational temperature. Optimal control of the slag chemistry in the copper smelting, therefore, is essential for high recovery and productivity; this, in turn, requires detailed knowledge of the slag phase equilibria. The present work provides new phase equilibrium experimental data in the FeO-Fe2O3-SiO2-CaO-MgO-Al2O3 system at oxygen partial pressure of 10-8 atm within the range of temperatures and compositions directly relevant to copper smelting. For the range of conditions relevant to the Kennecott Utah Copper (South Magna, UT) smelting furnace, it was confirmed experimentally that increasing concentrations of MgO or CaO resulted in significant decreases of the tridymite liquidus temperature and in changes in the position of the tridymite liquidus in the direction of higher silica concentration; in contrast, the spinel liquidus temperatures increase significantly with the increase of MgO or CaO. Olivine and clinopyroxene precipitates appeared at high MgO concentrations in the liquid slag. The liquidus temperature in the spinel primary phase field was expressed as a linear function of 1/(wt pctFe/wt pctSiO2), wt pctCaO, wt pctMgO, and wt pctAl2O3. The positions of each of the liquidus points (wt pctFe)/(wt pctSiO2) at a fixed temperatures in the tridymite primary phase field were expressed as linear functions of wt pctCaO, wt pctMgO, and wt pctAl2O3.

  13. Thermal conductivity of molten Na 2SiO 3 and CaNa 4Si 3O 9

    NASA Astrophysics Data System (ADS)

    Gier, Elizabeth J.; Carmichael, Ian S. E.

    1996-01-01

    we have measured the thermal conductivity of two molten silicates using the transient hot-wire method developed by Nieto de Castro et al. (1976) and adapted for high temperature measurement by Snyder et al. (1994). The results for Na 2SiO 3 and CaNa 4Si 3O 9 show the same strong temperature dependence as shown for CaMgSi 2O 6, with activation energies whose magnitudes are similar to those for viscous flow. As the effect of composition is comparable to that of temperature, we suggest that to model cooling of magmas, values of λ between 0.05 and 0.3 (W/mK) should be used.

  14. P- T- X controls on Ca and Na distribution between Mg-Al tourmaline and fluid

    NASA Astrophysics Data System (ADS)

    Berryman, Eleanor J.; Wunder, Bernd; Rhede, Dieter; Schettler, Georg; Franz, Gerhard; Heinrich, Wilhelm

    2016-04-01

    Ca-Na partitioning between tourmaline and a coexisting fluid is investigated in the system CaO-Na2O-B2O3-Al2O3-MgO-SiO2-H2O-Cl between 0.2-4.0 GPa and 500-700 °C. The synthesis experiments produced a mineral assemblage of tourmaline, coesite/quartz, and in some cases additional phases, typically comprising <1 wt% of the solid product. The synthesized tourmalines are solid solutions of dravite [NaMg3Al6Si6O18(BO3)3(OH)3(OH)], "oxy-uvite" (i.e. "Ca-Mg-O root name") [CaMg3Al6Si6O18(BO3)3(OH)3O], and magnesio-foitite [☐(Mg2Al)Al6Si6O18(BO3)3(OH)3(OH)]. Starting materials comprised a fluid of constant ionic strength (2.00 m) and an oxide mixture with a constant Mg/Al ratio. As a result, the number of vacancies at the X site and the Mg/Al ratio of tourmaline crystals synthesized at the same temperature vary only slightly. The major solid solution is Ca-Na exchange at the X site via the exchange vector X Ca W O[ X Na W (OH)]-1, with the exchange vector X (Ca☐)[ X Na2]-1 serving as a secondary Ca-incorporation mechanism. Tourmaline's X-site composition reflects the fluid composition, whereby the Ca (or Na) concentration in the fluid corresponds with the Ca (or Na) content in tourmaline at each pressure and temperature. At 0.2 GPa, 700 °C, Ca preferentially partitions into tourmaline, producing the most Ca-rich tourmaline crystals synthesized here. At pressures >1.0 GPa, Ca partitions preferentially into the fluid, resulting in Na-dominant tourmaline compositions. Temperature has a secondary effect on Ca-Na partitioning, with higher temperatures correlating with increased Ca incorporation in tourmaline. Based on the experimental findings, tourmaline is expected to have Ca-rich compositions when it forms in low pressure, high-temperature Ca-rich rocks, consistent with the current record of tourmaline occurrence. The bulk Mg/Al ratio and the pH of the tourmaline-forming system may also affect Ca incorporation in tourmaline, but remain to be investigated experimentally.

  15. Atomic data from the iron project. 3: Rate coefficients for electron impact excitation of boron-like ions: Ne VI, Mg VIII, Al IX, Si X, S XII, Ar XIV, Ca XVI and Fe XXII

    NASA Technical Reports Server (NTRS)

    Zhang, Hong Lin; Graziani, Mark; Pradhan, Anil K.

    1994-01-01

    Collison strengths and maxwellian averaged rate coefficients have been calculated for the 105 transitions among all 15 fine structure levels of the 8 LS terms 2s(sup 2) 2 P(P-2(sup 0 sub 1/, 3/2)), 2s2p(sup 2)(P-4(sub 1/2,3/2,5/2), D-2(sub 3/2, 5/2), S-2(sub 1/2), P-2(sub 1/2, 3/2)), 2p(sup 3)(S-4(sup 0)(sub 3/2), D-2(sup 0 sub 3/2, 5/2), P-2(sup 0 sub 1/2, 3/2)) in highly- charged B-like Ne, Mg, Al, Si, S, Ar, Ca and Fe. Rate coefficients have been tabulated at a wide range of temperatures, depending on the ion charge and abundance in plasma sources. Earlier work for O IV has also been extended to include the high temperature range. A brief discussion of the calculations, sample results, and comparison with earlier works is also given. While much of the new data should be applicable to UV spectral diagnostics, the new rates for the important ground state fine structure transition P-2(sup 0 sub 1/2)-P-2(sup 0 sub 3/2) should result in significant revision of the IR cooling rates in plasmas where B-like ions are prominent constituents, since the new rate coefficients are generally higher by several factors compared with the older data.

  16. Three series of quaternary rare-earth transition-metal pnictides with CaAl2Si2-type structures: RECuZnAs2, REAgZnP2, and REAgZnAs2

    NASA Astrophysics Data System (ADS)

    Stoyko, Stanislav S.; Ramachandran, Krishna K.; Blanchard, Peter E. R.; Rosmus, Kimberly A.; Aitken, Jennifer A.; Mar, Arthur

    2014-05-01

    Three series of quaternary rare-earth transition-metal pnictides REMM‧Pn2 (M=Cu, Ag; M‧=Zn; Pn=P, As) have been prepared by reaction of the elements at 800 °C, with crystal growth promoted through the addition of iodine. The extent of RE substitution is broad in these series: RECuZnAs2 (RE=Y, Lasbnd Nd, Sm, Gd-Lu), REAgZnP2 (RE=La-Nd, Sm, Gd-Dy), and REAgZnAs2 (RE=Lasbnd Nd, Sm, Gdsbnd Dy). Powder and single-crystal X-ray diffraction analysis revealed that they adopt the trigonal CaAl2Si2-type structure (space group P3barm1, Z=1), in which Cu or Ag atoms are disordered with Zn atoms over the unique tetrahedrally coordinated transition-metal site. Magnetic measurements indicated Curie-Weiss behavior for several members of the RECuZnAs2 and REAgZnP2 series. Core-line X-ray photoelectron spectra (XPS) collected on some RECuZnAs2 members corroborate the charge assignment deduced by the Zintl concept for these compounds, (RE3+)(M1+)(Zn2+)(Pn3-)2. Optical diffuse reflectance spectra and valence band XPS spectra established that these compounds are small band-gap semiconductors (up to ~0.8 eV in REAgZnP2) or semimetals (RECuZnAs2). Band structure calculations also support this electronic structure and indicate that the band gap can be narrowed through appropriate chemical substitution (RE=smaller atoms, M=Cu, and Pn=As).

  17. Development and characterization of glass-ceramic sealants in the (CaO-Al2O3-SiO2-B2O3) system for Solid Oxide Electrolyzer Cells

    NASA Astrophysics Data System (ADS)

    Khedim, Hichem; Nonnet, Hélène; Méar, François O.

    2012-10-01

    The efficiency of glass-ceramic sealants plays a crucial role in Solid Oxide Electrolyzer Cell performance and durability. In order to develop suitable sealants, operating around 800 °C, two parent glass compositions, CAS1B and CAS2B, from the CaO-Al2O3-SiO2-B2O3 system were prepared and explored. The thermal and physicochemical properties of the glass ceramics and their crystallization behavior were investigated by HSM, DTA and XRD analyses. The microstructure and chemical compositions of the crystalline phases were investigated by microprobe analysis. Bonding characteristic as well as chemical interactions of the parent glass with yttria-stabilized zirconia (YSZ) electrolyte and ferritic steel-based interconnect (Crofer®) were also investigated. The preliminary results revealed the superiority of CAS2B glass for sealing application in SOECs. The effect of minor additions of V2O5, K2O and TiO2 on the thermal properties was also studied and again demonstrated the advantages of the CAS2B glass composition. Examining the influence of heat treatment on the seal behavior showed that the choice of the heating rate is a compromise between delaying the crystallization process and delaying the viscosity drop. The thermal Expansion Coefficients (TEC) obtained for the selected glass ceramic are within the desired range after the heat treatment of crystallization. The crystallization kinetic parameters of the selected glass composition were also determined under non-isothermal conditions by means of differential thermal analysis (DTA) and using the formal theory of transformations for heterogeneous nucleation.

  18. Atomic data from the iron project. 3: Rate coefficients for electron impact excitation of boron-like ions: Ne VI, Mg VIII, Al IX, Si X, S XII, Ar XIV, Ca XVI and Fe XXII

    NASA Technical Reports Server (NTRS)

    Zhang, Hong Lin; Graziani, Mark; Pradhan, Anil K.

    1994-01-01

    Collison strengths and maxwellian averaged rate coefficients have been calculated for the 105 transitions among all 15 fine structure levels of the 8 LS terms 2s(sup 2) 2 P(P-2(sup 0 sub 1/, 3/2)), 2s2p(sup 2)(P-4(sub 1/2,3/2,5/2), D-2(sub 3/2, 5/2), S-2(sub 1/2), P-2(sub 1/2, 3/2)), 2p(sup 3)(S-4(sup 0)(sub 3/2), D-2(sup 0 sub 3/2, 5/2), P-2(sup 0 sub 1/2, 3/2)) in highly- charged B-like Ne, Mg, Al, Si, S, Ar, Ca and Fe. Rate coefficients have been tabulated at a wide range of temperatures, depending on the ion charge and abundance in plasma sources. Earlier work for O IV has also been extended to include the high temperature range. A brief discussion of the calculations, sample results, and comparison with earlier works is also given. While much of the new data should be applicable to UV spectral diagnostics, the new rates for the important ground state fine structure transition P-2(sup 0 sub 1/2)-P-2(sup 0 sub 3/2) should result in significant revision of the IR cooling rates in plasmas where B-like ions are prominent constituents, since the new rate coefficients are generally higher by several factors compared with the older data.

  19. Ge/Si, Ca/Sr and 87Sr/86Sr tracers of biogeochemical sources and cycling of Si and Ca at the Shale Hills CZO

    NASA Astrophysics Data System (ADS)

    Derry, L. A.; Meek, K.; Sparks, J. P.

    2014-12-01

    Plant uptake and cycling of nutrients is commonly the largest flux of nutrients in terrestrial ecosystems. Hydrologic and other losses are offset by inputs from atmospheric deposition and weathering. We measured elemental and isotopic compositions from soil solution, soil exchange complex, leaves and sapwater from two canopy species, soil and rock samples, and stream and ground waters at the Shale Hills CZO. Xylem fluid and leaf samples have similar Ge/Si < 1 μmo/mol, consistent with fractionation at the root-soil water interface. Ge/Si in soil waters is higher Ge/Si near the surface and increases over the growing season, indicating preferential uptake of Si. Ca/Sr in leaves of Quercus are significantly higher (450±150) than for Acer (200±100), and Ca/Sr is generally higher in leaves than in xylem, consistent with Ca uptake during transpiration. 87Sr/86Sr in both are similar for a given site, implying that the trees access similar pools of Sr and Ca, although there are site-to-site differences. Data on litterfall rates and transpiration rates yield similar estimates of plant cycling of Ca and Si. 87Sr/86Sr in soil solutions from ridgtop and swale sites are well explained by mixing Sr derived from shale and atmospheric deposition. Valley bottom soil solutions and stream and groundwater samples include Sr and Ca derived from dissolution of diagenetic carbonates, found in drill cuttings. A preliminary estimate of the Sr and Ca stream fluxes and isotopic mass balances imply propagation of a carbonate weathering front of ca. 200 m/Ma, faster than previously reported regolith weathering advance rates based on on cosmogenic nuclides and U series (Jin et al., 2010; Ma et al., 2010). These rates are not strictly comparable and differences are at least in part consistent with the greater depth of the carbonate weathering front (Brantley et al, 2013). The data for Ca, Sr, Si and Ge in soil, soil solutions and stream waters reflects the interaction of slower weathering

  20. Ammonothermal Synthesis of Novel Nitrides: Case Study on CaGaSiN3.

    PubMed

    Häusler, Jonas; Neudert, Lukas; Mallmann, Mathias; Niklaus, Robin; Kimmel, Anna-Carina L; Alt, Nicolas S A; Schlücker, Eberhard; Oeckler, Oliver; Schnick, Wolfgang

    2017-02-21

    The first gallium-containing nitridosilicate CaGaSiN3 was synthesized in newly developed high-pressure autoclaves using supercritical ammonia as solvent and nitriding agent. The reaction was conducted in an ammonobasic environment starting from intermetallic CaGaSi with NaN3 as a mineralizer. At 770 K, intermediate compounds were obtained, which were subsequently converted to the crystalline nitride at temperatures up to 1070 K (70-150 MPa). The impact of other mineralizers (e.g., LiN3 , KN3 , and CsN3 ) on the product formation was investigated as well. The crystal structure of CaGaSiN3 was analyzed by powder X-ray diffraction and refined by the Rietveld method. The structural results were further corroborated by transmission electron microscopy, (29) Si MAS-NMR, and first-principle DFT calculations. CaGaSiN3 crystallizes in the orthorhombic space group Cmc21 (no. 36) with lattice parameters a=9.8855(11), b=5.6595(1), c=5.0810(1) Å, (Z=4, Rwp =0.0326), and is isostructural with CaAlSiN3 (CASN). Eu(2+) doped samples exhibit red luminescence with an emission maximum of 620 nm and FWHM of 90 nm. Thus, CaGaSiN3 :Eu(2+) also represents an interesting candidate as a red-emitting material in phosphor-converted light-emitting diodes (pc-LEDs). In addition to the already known substitution of alkaline-earth metals in (Ca,Sr)AlSiN3 :Eu(2+) , inclusion of Ga is a further and promising perspective for luminescence tuning of widely used red-emitting CASN type materials. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. CaSiO3-walstromite inclusions in super-deep diamonds

    NASA Astrophysics Data System (ADS)

    Anzolini, Chiara; Nestola, Fabrizio; Milani, Sula; Brenker, Frank E.

    2015-04-01

    Diamonds are considered the unique way to trap and convey real fragments of deep material to the surface of our planet. Over the last thirty years, great strides have been made in understanding of Earth's lower mantle, mainly thanks to technological and instrumental advances; nevertheless, it is only in the last two decades that a whole range of inclusion parageneses derived from the lower mantle was discovered in diamonds from São Luiz (Brazil) (Kaminsky, 2008 and references therein), thereby establishing a 'window' into the lower mantle. These so-called super-deep diamonds form at depths greater than lithospheric diamonds, more precisely between 300 and 800 km depth, and contain mostly ferropericlase, enstatite (believed to be derived from MgSi-perovskite) and CaSiO3-walstromite (believed to be derived from CaSiO3-perovskite). Even though CaSiO3 not only adopts the perovskite structure with increased pressure and temperature, but also it is considered the dominant Ca-bearing phase in the Earth's lower mantle (Tamai and Yagi, 1989), at the present day there are no reliable literature data on the pressure at which CaSiO3 crystallizes within diamonds. In order to obtain for the first time a pressure of formation value for CaSiO3-walstromite, several inclusions still trapped in a diamond coming from Juina (Mato Grosso, Brazil) were investigated both by in-situ microRaman spectroscopy and in-situ single-crystal X-ray diffraction. First, we applied 'single-inclusion elastic barometry' as improved by Angel et al. (2014) to determine the pressure of formation of the diamond-inclusion pairs. Starting from the maximum remnant pressure value ever reported (Joswig et al., 2003) and adopting the thermoelastic parameters already present in literature (Swamy and Dubrovinsky, 1997; Liu et al., 2012), we obtained an apparent entrapment pressure of ~7.1 GPa, corresponding to ~250 km, at 1500 K. The presence of fractures around the inclusions indicates this is a minimum estimate

  2. Selective Crystallization Behavior of CaO-SiO2-Al2O3-MgO-FetO-P2O5 Steelmaking Slags Modified through P2O5 and Al2O3

    NASA Astrophysics Data System (ADS)

    Wang, Zhanjun; Sun, Yongqi; Sridhar, Seetharaman; Zhang, Mei; Guo, Min; Zhang, Zuotai

    2015-10-01

    In this study, the selective crystallization behavior of synthetic FetO-rich steelmaking slags modified by P2O5 and Al2O3 additions was explored using non-isothermal differential scanning calorimetry, X-ray diffraction, and field emission scanning electron microscopy techniques. Continuous cooling transformation diagrams of Fe-enriched and P-enriched phases were constructed. It was found that P2O5 addition can suppress the crystallization due to the increasing viscosity caused by increasing degree of polymerization; however, an increase of Al2O3 content accelerated the precipitation of dystectic MgFeAlO4, copolymerized by [AlO4]-tetrahedra and [FeO4]-tetrahedra units. It was also noted that the content of phosphorus in P-enriched phase can reach a high value as 28.71 wt pct for the slags modified by 15.17 wt pct Al2O3. The non-isothermal crystallization kinetics derived from activation energy and the structure of the slags explained by Raman spectra were further analyzed, which was well in accordance with the above analysis.

  3. 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

    SciTech Connect

    Rastsvetaeva, R. K. 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{sub 44}](F,O){sub 4} has some symmetry and structural features that distinguish it from other minerals of this family.

  4. Development of SiAlON materials

    NASA Technical Reports Server (NTRS)

    Layden, G. K.

    1977-01-01

    Cold pressing and sintering techniques were used to produce ceramic bodies in which the major phase was beta prime Si3-Al-O-N4 solid solution. A variety of foreign oxides were used to promote liquid phase sintering, and this resulted in the incorporation of additional solid phases in the ceramic bodies which controlled elevated temperature properties. None of the bodies studied to date exhibited both adequate high temperature mechanical properties and oxidation resistance. Criteria are suggested to guide the formulation of bodies with improved high temperature properties.

  5. Magnesia-stabilised zirconia solid electrolyte assisted electrochemical investigation of iron ions in a SiO2-CaO-MgO-Al2O3 molten slag at 1723 K.

    PubMed

    Gao, Yunming; Yang, Chuanghuang; Zhang, Canlei; Qin, Qingwei; Chen, George Z

    2017-06-21

    Production of metallic iron through molten oxide electrolysis using inert electrodes is an alternative route for fast ironmaking without CO2 emissions. The fact that many inorganic oxides melt at ultrahigh temperatures (>1500 K) challenges conventional electro-analytical techniques used in aqueous, organic and molten salt electrolytes. However, in order to design a feasible and effective electrolytic process, it is necessary to best understand the electrochemical properties of iron ions in molten oxide electrolytes. In this work, a magnesia-stabilised zirconia (MSZ) tube with a closed end was used to construct an integrated three-electrode cell with a "MSZ|Pt|O2 (air)" assembly functioning as the solid electrolyte, the reference electrode and also the counter electrode. Electrochemical reduction of iron ions was systematically investigated on an iridium (Ir) wire working electrode in a SiO2-CaO-MgO-Al2O3 molten slag at 1723 K by cyclic voltammetry (CV), square wave voltammetry (SWV), chronopotentiometry (CP) and potentiostatic electrolysis (PE). The results show that the electroreduction of the Fe(2+) ion to Fe on the Ir electrode in the molten slag follows a single two-electron transfer step, and the rate of the process is diffusion controlled. The peak current on the obtained CVs is proportional to the concentration of the Fe(2+) ion in the molten slag and the square root of scan rate. The diffusion coefficient of Fe(2+) ions in the molten slag containing 5 wt% FeO at 1723 K was derived to be (3.43 ± 0.06) × 10(-6) cm(2) s(-1) from CP analysis. However, a couple of subsequent processes, i.e. alloy formation on the Ir electrode surface and interdiffusion, were found to affect the kinetics of iron deposition. An ECC mechanism is proposed to account for the CV observations. The findings from this work confirm that zirconia-based solid electrolytes can play an important role in electrochemical fundamental research in high temperature molten slag electrolytes.

  6. Understanding Structural Properties of Carbonate-Silicate Melts: An EXAFS Study on Y and Sr in the System Na2O-CaO-Al2O3-SiO2-CO2

    NASA Astrophysics Data System (ADS)

    Pohlenz, J.; Pascarelli, S.; Mathon, O.; Belin, S.; Shiryaev, A.; Safonov, O.; Murzin, V.; Shablinskaya, K.; Irifune, T.; Wilke, M.

    2014-12-01

    Carbonatite volcanism generally occurs in intra-plate settings associated with continental rifting. The only active carbonatitic volcano is the Oldoinyo Lengai, Tanzania, which generates sodium-rich carbonatites in close association with phonolites and nephelinites1. The processes of carbonatite genesis are still unresolved, however carbonate-bearing melts evidently play a crucial role during mantle melting, in diamond formation and as metasomatic agents. Carbonate melts show extraordinary properties, especially in regard to their low melt viscosities and densities, high surface tensions and electrical conductivities as well as distinct geochemical affinities to a wide range of trace elements2. Understanding the structural properties of carbonate-bearing melts is fundamental to explaining their chemical and physical behaviour as well as modeling processes operating in the deep Earth. Extended X-ray absorption fine structure (EXAFS) spectroscopy is a versatile tool for element specific investigation of the short to medium range structure of melts and glasses. This study focuses on unraveling the influence of carbonate concentration on the structural incorporation of the geochemically important trace elements Y and Sr in silicate and carbonate melts in the system Na2O-CaO-Al2O3-SiO2-CO2. First, we present structural data of silicate glasses with up to 10 wt% CO2, quenched from melts under high temperature and pressure, which indicate that the local structure of Y and Sr is not or only slightly affected by CO2. Melts with higher CO2 contents could not be quenched to glass, so far. Second, we show results of high pressure, high temperature experiments conducted in the Paris Edinburgh-Press, which provides in-situ insight into carbonate-silicate melts. All EXAFS measurements were performed at the synchrotron facility beamlines SAMBA (SOLEIL) and BM23 (ESRF). Information derived from the trace elements' local structure is used to develop a structural model for carbonate

  7. Covalent bonds in AlMnSi icosahedral quasicrystalline approximant

    PubMed

    Kirihara; Nakata; Takata; Kubota; Nishibori; Kimura; Sakata

    2000-10-16

    Electron density distributions were obtained using the maximum entropy method with synchrotron radiation powder data. In the metallic Al12Re, metallic bonding was observed for the icosahedral Al12 cluster with central Re atom. In the nonmetallic alpha-AlMnSi 1/1 approximant, covalent bonds were found in the electron density distribution of the Mackay icosahedral cluster without central atom. Rather than the Hume-Rothery mechanism, the covalency of Al (Si) icosahedron and that between Al (Si) and Mn atoms is considered to be the origin of the pseudogap and nonmetallic behavior of alpha-AlMnSi.

  8. Lanthanum and neodymium solubility in simplified SiO{sub 2}-B{sub 2}O{sub 3}-Na{sub 2}O-Al{sub 2}O{sub 3}-CaO high level waste glass

    SciTech Connect

    Kidari, Abdessamad; Bardez-Giboire, Isabelle

    2012-08-15

    Lanthanum and neodymium incorporation in simplified high level waste glasses has been investigated for SiO{sub 2}B{sub 2}O{sub 3}Na{sub 2}OAl{sub 2}O{sub 3}CaO compositions quenched from 1200 degrees C, for varying La /(La + Nd) (atomic) and increasing rare-earth oxides contents. In this system and beyond the solubility limit, rare-earths (RE) elements are reported to form apatite phases with the general formula Ca{sub 2}RE{sub 8}(SiO{sub 4}){sub 6}O{sub 2}. In the current study, speciation of these trivalent RE{sup 3+} cations in both amorphous network and crystal phases was determined from X-ray diffraction, scanning electron microscopy, optical absorption at 10 K, Raman spectroscopy, and electron probe microanalysis. It appeared that RE{sub 2}O{sub 3} solubility was higher for La -rich formulations than for Nd -rich ones and that an increase in the RE oxide content reduces the connectivity of the network building units through formation of non-bridging oxygens at the expense of the oxygen bridges. This depolymerization of the glass network did not affect neodymium environment which consisted in silicate tetrahedra. The composition of the apatite crystals was found to be affected by the La /(La + Nd) of the parent glass and deviation from the ideal composition (Ca{sub 2}RE{sub 8}(SiO{sub 4}){sub 6}O{sub 2}) occurred in the neodymium end of the system. It thus appears that both RE{sub 2}O{sub 3} solubility and crystal composition are strongly dependent on the type and crystal chemistry of the RE elements. (authors)

  9. The effect of boron oxide on the crystallization behavior of MgAl2O4 spinel phase during the cooling of the CaO-SiO2-10 mass.% MgO-30 mass.%Al2O3 systems

    NASA Astrophysics Data System (ADS)

    Park, Joo Hyun

    2010-12-01

    The microstructural characteristics of the CaO-SiO2-B2O3-10 mass.% MgO-30 mass.% Al2O3 systems solidified during slow cooling from 1600 °C were investigated using SEM-EDS and a thermochemical computation package. The effect of boron oxide on the crystallization behavior of the spinel in the aluminosilicate system was observed because boron oxide is believed to become a potential flux to reduce the melting point of the liquid oxides. The primary crystalline phase was spinel, mainly MgAl2O4, irrespective of the boron content. The liquidus temperature T L continuously decreased as the boron oxide content increased, indicating that the boron oxide decreased the activity of the MgAl2O4 spinel phase in liquid melts at high temperatures. The size of the spinel crystals increased as the temperature range for the solid + liquid coexisting region, viz. the mushy zone, increased. In the present systems, because the T L continuously decreased with the increase in the boron oxide content, the viscosity of the liquid oxide may have affected the crystallization behavior of the spinel during cooling. Based on these results, an injection of a small amount of B2O3 flux into molten steel containing liquid aluminosilicate inclusions is not recommended because large spinel crystals can originate from the changes in the thermophysical properties of the liquid inclusions due to the incorporation of boron oxide into the aluminosilicate networks.

  10. Influence of Some Trace Elements on Solidification Path and Microstructure of Al-Si Foundry Alloys

    NASA Astrophysics Data System (ADS)

    Ludwig, Thomas Hartmut; Schaffer, Paul Louis; Arnberg, Lars

    2013-08-01

    In the present study, Ca, Ni, V, and Zn were added to a high purity binary Al-7wt pct Si and commercial purity A356 foundry alloy in the nominal range of 50 to 600 ppm in order to study their effect on the solidification path and the resultant microstructure. Thermal analysis was used to assess nucleation and growth of the various phases. It was found that Ca and Ni additions suppress characteristic temperatures associated with nucleation and growth of the eutectic by up to 4 and 1.5 K, respectively. Additionally, Ca was observed to modify the eutectic Si and a concentration as low as 39 ppm Ca was sufficient to precipitate the geometrically unfavored polyhedral Al2Si2Ca phase. Furthermore, Ni addition resulted in the formation of two intermetallic phases when the Ni concentration exceeded 300 ppm. These phases have been quantified as Al3Ni and Al9FeNi by SEM-EDS. V and Zn had no apparent effect on the cooling curve and the microstructure. Even though it could be shown that V accumulates preferably in β-Al5FeSi particles, V concentrations of 600 ppm were too low to have any influence on the phase's morphology.

  11. Growth of AlN/SiC/AlN quantum wells on Si(111) by molecular beam epitaxy

    SciTech Connect

    Cheng Yana; Beresford, Roderic

    2012-06-04

    AlN/SiC/AlN quantum well structures have been grown on Si(111) by molecular beam epitaxy at 700 deg. C. The microstructure is single-crystal wurtzite AlN and cubic SiC with stacking sequence disorder. Depth profiles taken by Auger electron spectroscopy indicate that the ratio of Si to C is about 5:4. Layers with lower carbon content exhibit regions with five-fold superstructures. Fourier transform infrared spectroscopy confirms the presence of Al-N and Si-C bonds. Our work demonstrates the feasibility of a low-temperature synthesis route for epitaxial SiC and AlN/SiC heterostructures on Si.

  12. Fracture toughness in SiC/Al composite material

    NASA Technical Reports Server (NTRS)

    Flom, Y.; Wu, S. B.; Arsenault, R. J.

    1989-01-01

    Crack initiation fracture toughness does not depend on SiC particle size. Crack growth fracture toughness increases as the size of the SiC particle increases. The fracture process is confined to a very narrow band and takes place within the matrix. In the case of composite reinforced with SiC particles of 20 microns and above, fracture of SiC begins to dominate. The matrix is influenced by a triaxial tension in the matrix and a high density of dislocations generated at SiC/Al interfaces due to the difference in coefficient of thermal expansion between SiC and the Al matrix.

  13. Reaction of SiF4 with Al Metal

    NASA Astrophysics Data System (ADS)

    Xie, Xiaobing; Lau, Kai; Sanjurjo, Angel; Alkhudhiri, Abdullah I.; Alzaben, Abdullah; Alabbad, Waiel

    2017-03-01

    The reaction of SiF4 gas with aluminum (Al) was studied at temperatures ranging from room temperature to 1723 K (1450 °C). Although thermochemical estimates indicate that reactions throughout the temperature range should be thermodynamically favorable, we found that no reaction takes place appreciably until Al is heated to around 1473 K (1200 °C). The reaction products consist of fine powders of Si, Al, and AlF3. Some of the reaction products were transported away from the reaction zone by strong convection currents resulting from the exothermic reaction. Even at approximately 1673 K (1400 °C), the reaction rate is slow and a significant amount of Al remains unreacted. When NaF powders were used to line the graphite reactor, NaAlF4, AlF3, and Si powders were observed on the upper cooler walls of the reactor, and Si whiskers were formed just above the Al-Si alloy globule on the bottom of the crucible. We found evidence of the formation of AlF and SiF2 vapor species in the reaction zone, which then disproportionated along the cooler walls of the reactor, generating powders of Al and Si and regenerating condensable AlF3 and SiF4 gas, respectively.

  14. Synthesis of Al2Ca Dispersoids by Powder Metallurgy Using a Mg–Al Alloy and CaO Particles

    PubMed Central

    Fujita, Junji; Umeda, Junko; Kondoh, Katsuyoshi

    2017-01-01

    The elemental mixture of Mg-6 wt %Al-1 wt %Zn-0.3 wt %Mn (AZ61B) alloy powder and CaO particles was consolidated by an equal-channel angular bulk mechanical alloying (ECABMA) process to form a composite precursor. Subsequently, the precursor was subjected to a heat treatment to synthesize fine Al2Ca particles via a solid-state reaction between the Mg–Al matrix and CaO additives. Scanning electron microscopy-energy-dispersive spectroscopy (SEM-EDS) and electron probe micro-analysis on the precursor indicated that 4.7-at % Al atoms formed a supersaturated solid solution in the α-Mg matrix. Transmission electron microscopy-EDS and X-ray diffraction analyses on the AZ61B composite precursor with 10-vol % CaO particles obtained by heat treatment confirmed that CaO additives were thermally decomposed in the Mg–Al alloy, and the solid-soluted Ca atoms diffused along the α-Mg grain boundaries. Al atoms also diffused to the grain boundaries because of attraction to the Ca atoms resulting from a strong reactivity between Al and Ca. As a result, needle-like (Mg,Al)2Ca intermetallics were formed as intermediate precipitates in the initial reaction stage during the heat treatment. Finally, the precipitates were transformed into spherical Al2Ca particles by the substitution of Al atoms for Mg atoms in (Mg,Al)2Ca after a long heat treatment. PMID:28773074

  15. Sr-Al-Si co-segregated regions in eutectic Si phase of Sr-modified Al-10Si alloy.

    PubMed

    Timpel, M; Wanderka, N; Schlesiger, R; Yamamoto, T; Isheim, D; Schmitz, G; Matsumura, S; Banhart, J

    2013-09-01

    The addition of 200 ppm strontium to an Al-10 wt% Si casting alloy changes the morphology of the eutectic silicon phase from coarse plate-like to fine fibrous networks. In order to clarify this modification mechanism the location of Sr within the eutectic Si phase has been investigated by a combination of high-resolution methods. Whereas three-dimensional atom probe tomography allows us to visualise the distribution of Sr on the atomic scale and to analyse its local enrichment, transmission electron microscopy yields information about the crystallographic nature of segregated regions. Segregations with two kinds of morphologies were found at the intersections of Si twin lamellae: Sr-Al-Si co-segregations of rod-like morphology and Al-rich regions of spherical morphology. Both are responsible for the formation of a high density of multiple twins and promote the anisotropic growth of the eutectic Si phase in specific crystallographic directions during solidification. The experimental findings are related to the previously postulated mechanism of "impurity induced twinning". Copyright © 2012 Elsevier B.V. All rights reserved.

  16. Effect of boron on the microstructure of near-eutectic Al-Si alloys

    SciTech Connect

    Wu Yuying . E-mail: wyy532001@163.com; Liu Xiangfa; Bian Xiufang

    2007-02-15

    The effect of boron on the microstructure of a near-eutectic Al-Si alloy (ZL109) was investigated by scanning electron microscopy (SEM) and electron beam microprobe analysis (EPMA). It was found that {alpha}-Al dendrites and eutectic clusters were significantly refined by the addition of boron. Another interesting discovery is that the near-eutectic alloy exhibited hypereutectic structure characteristics when the level of boron added exceeds 0.3%, i.e., primary Si is precipitated in the eutectic microstructure. A new type of nucleation substrate for the primary Si is found, Al {sub x}Ca {sub m}B {sub n}Si. This appears to be the main reason for the precipitation of primary Si.

  17. Distribution of Al{sub 12}Fe{sub 3}Si and (FeAl{sub 6})Si in a HIPed Al-10.71 wt. % Si casting

    SciTech Connect

    Chama, C.C.

    1996-10-01

    An investigation on microstructural development in a hot isostatically pressed (HIPed) Al-10.71 wt. % Si casting is described. The as-cast material contained 0.006 total volume fraction of Al{sub 12}Fe{sub 3}Si and (FeAl{sub 6})Si particles but HIPing at 550 C and 68.95 MPa produced a moderate increase in this fraction, to a maximum value of 0.061 when HIPed for 120 min. Dislocations appeared to be the dominant nucleation sites for the particles in both the as-cast and the HIPed materials.

  18. Synthetic gedrite: a stable phase in the system MgO-Al2O3-SiO2-H2O (MASH) at 800°C and 10kbar water pressure, and the influence of FeNaCa impurities

    NASA Astrophysics Data System (ADS)

    Fischer, H.; Schreyer, W.; Maresch, W. V.

    Seeded, solid-media piston-cylinder runs of unusually long duration up to 31 days indicate growth or persistence of synthetic gedrite of the composition □Mg6Al[AlSi7O22](OH)2(=6:1:7), prepared from the purest chemicals available, at 10kbar water pressure and 800°C. Conversely, breakdown was observed at 11kbar and 850°C to aluminous enstatite, Al2SiO5, and a melt of the composition MgO.Al2O3.8SiO2. Thus, pure gedrite free of iron, sodium, and calcium is likely to have only a small PT stability field in the MASH system, estimated as 10+/-1kbar, 800+/-20°C, even though metastable growth of gedrite can be observed over a larger PT range. A second starting material with the anhydrous composition 5MgO . 2Al2O3 . 6SiO2 also yielded gedrite of the composition 6:1:7, together with more aluminous phases such as kyanite, corundum or sapphirine, thus suggesting that the end-member gedrite defined as □Mg5Al2[Al2Si6O22](OH)2(=5:2:6) by the IMA Commission on New Minerals and Mineral Names probably does not exist. With the use of this second starting material, which contains FeNaCa impurities, growth of 6:1:7-gedrite was observed over a still wider PT-range. Seeded runs indicate that the true stability field of such slightly impure 6:1:7-gedrites may also be larger than that of the pure MASH phase and extend at least to 15kbar, 800°C. There is, thus, a remarkable stabilization effect on the orthoamphibole structure by impurities amounting only to a total of less than one weight percent of oxides in the starting material. The gedrites synthesized are structurally well ordered amphiboles nearly free of chain multiplicity faults, as revealed by HRTEM. The X-ray diffraction work on the gedrites synthesized yielded the smallest cell volume yet reported for this phase. The small stability field of the pure MASH gedrite is intersected by the upper pressure stability limit of hydrous cordierite for excess-H2O conditions, thus leading to complicated phase relations for both gedrite

  19. Effect of a grain refiner cum modifier on mechanical properties of Al-7Si and Al-11Si alloys

    NASA Astrophysics Data System (ADS)

    Jigajinni, S. M.; Venkateswarlu, K.; Kori, S. A.

    2013-03-01

    This study evaluates the influence of grain refiners/modifiers on the mechanical properties of the Al-7Si and Al-11Si alloys with an experiment of quantitative and qualitative correlations with the microstructure. Modification of Al-Si alloys with strontium additions and grain refinement with Al-Ti, Al-B and Al-T-B master alloy additions are demonstrated to be efficient on Al-Si alloys. A single master alloy with combined additions of Sr and Ti and/or B was prepared and the microstructure and mechanical properties were studied. The results show that boron rich (Al-3B-Sr and Al-1Ti-3B-Sr) master alloys are more efficient than Ti rich (Al-3Ti-Sr and Al-5Ti-1B-Sr) master alloys considering their combined grain refinement and modification effect on Al-7Si and Al-11Si alloys. However, the presence of Sr does not influence the grain refinement. Similarly, presence of grain refiner does not influence the modification of eutectic Si.

  20. Effect of B2O3 on Crystallization Behavior, Structure, and Heat Transfer of CaO-SiO2-B2O3-Na2O-TiO2-Al2O3-MgO-Li2O Mold Fluxes

    NASA Astrophysics Data System (ADS)

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

    2017-08-01

    The effect of B2O3 on crystallization behavior, structure, and heat transfer of CaO-SiO2-Na2O-B2O3-TiO2-Al2O3-MgO-Li2O fluorine-free mold fluxes was investigated using hot thermocouple technique (HTT), Raman spectroscopy, and infrared emitter technique (IET), respectively. The critical cooling rate in continuous cooling experiments decreased and the incubation time determined in isothermal experiments increased with increasing B2O3 content, both implying a decreasing crystallization tendency. The major phases of mold fluxes determined using X-ray diffraction changed from Ca2MgSi2O7 and Ca11Si4B2O22 to CaSiO3 with the increasing amount of B2O3. B2O3 increased the degree of polymerization in silicate network, forming 3D borate structures. Addition of B2O3 decreased the flux melting temperature which has a significant impeding effect on the crystal nucleation and growth. The heat flux of mold fluxes measured using IET showed that the increase of B2O3 from 4.7 to 6.8 mass pct impeded the heat flux; while a further increase of B2O3 from 6.8 to 10.4 mass pct promoted the heat transfer. This phenomenon was attributed to the variation of crystallization behavior and crystal morphology with different B2O3 content in the mold fluxes.

  1. Refinement of Eutectic Si Phase in Al-5Si Alloys with Yb Additions

    NASA Astrophysics Data System (ADS)

    Li, J. H.; Suetsugu, S.; Tsunekawa, Y.; Schumacher, P.

    2013-02-01

    A series of Al-5 wt pct Si alloys with Yb additions (up to 6100 ppm) have been investigated using thermal analysis and multiscale microstructure characterization techniques. The addition of Yb was found to cause no modification effect to a fibrous morphology involving Si twinning; however, a refined plate-like eutectic structure was observed. The Al2Si2Yb phase was observed with Yb addition level of more than 1000 ppm. Within the eutectic Al and Si phases, the Al2Si2Yb phase was also found as a precipitation from the remained liquid. No Yb was detected in the α-Al matrix or plate-like Si particle, even with Yb addition up to 6100 ppm. The absence of Yb inside the eutectic Si particle may partly explain why no significant Si twinning was observed along {111}Si planes in the eutectic Si particle. In addition, the formation of the thermodynamic stable YbP phases is also proposed to deteriorate the potency of AlP phase in Al alloys. This investigation highlights to distinguish the modification associated with the ever present P in Al alloys. We define modification as a transition from faceted to fibrous morphology, while a reduction of the Si size is termed refinement.

  2. Ca- and Sc-based ternary AlB2-like crystals: a first-principles study

    NASA Astrophysics Data System (ADS)

    Tsetseris, Leonidas

    2017-02-01

    The aluminum diboride (AlB2) crystal structure comprises intercalated metal atoms between honeycomb sheets. In addition to metal diborides, which represent the most common family of AlB2-like structures, many more materials are known to crystallize in this geometry. Here we use first-principles calculations to probe the structural and electronic properties of several such systems. Specifically, we investigate the stability of various polymorphs of CaAuAs, CaAuP, CaCuP, ScAuGe, ScAuSi, Ca2AgSi3 and Ca2AuGe3 and find lattice parameters in excellent agreement with available experimental data. The analysis of densities of states and band structure diagrams show that all materials are metallic. However, the details of band dispersion vary significantly, from typical metals such as CaAuP, to almost semi-metallic behaviour in CaCuP.

  3. Validated thermodynamic prediction of AlP and eutectic (Si) solidification sequence in Al-Si cast alloys

    NASA Astrophysics Data System (ADS)

    Liang, S. M.; Schmid-Fetzer, R.

    2016-03-01

    The eutectic microstructure in hypoeutectic Al-Si cast alloys is strongly influenced by AlP particles which are potent nuclei for the eutectic (Si) phase. The solidification sequence of AlP and (Si) phases is, thus, crucial for the nucleation of eutectic silicon with marked impact on its morphology. This study presents this interdependence between Si- and P-compositions, relevant for Al-Si cast alloys, on the solidification sequence of AlP and (Si). These data are predicted from a series of thermodynamic calculations. The predictions are based on a self-consistent thermodynamic description of the Al-Si-P ternary alloy system developed recently. They are validated by independent experimental studies on microstructure and undercooling in hypoeutectic Al-Si alloys. A constrained Scheil solidification simulation technique is applied to predict the undercooling under clean heterogeneous nucleation conditions, validated by dedicated experimental observations on entrained droplets. These specific undercooling values may be very large and their quantitative dependence on Si and P content of the Al alloy is presented.

  4. Influence of Lanthanum on Solidification, Microstructure, and Mechanical Properties of Eutectic Al-Si Piston Alloy

    NASA Astrophysics Data System (ADS)

    Ahmad, R.; Asmael, M. B. A.

    2016-07-01

    The effects of Lanthanum (La) concentration on the solidification parameters of the α-Al, Al-Si, and Al-Cu phases and on the microstructure, tensile, and hardness properties of eutectic Al-Si-Cu-Mg alloy were systematically investigated. The solidification parameters were examined using computer-aided cooling curve thermal analysis (CA-CCTA). The cooling curve and microstructure analysis showed that La altered the Si structure. The nucleation and growth temperatures of eutectic Si decreased when 0.3 wt.% La was added, and a high depression temperature was obtained with 1.0 wt.% La. High amounts of La considerably modified the Si structure and decreased the area and aspect ratio by 69.9 and 51%, respectively. The thermal analysis result recorded a faster freezing time with the La addition and a 36% alteration in the secondary dendrite arm spacing. Two secondary or ternary La-rich intermetallic phases were formed with needle- and plate-like structures. Furthermore, the mechanical properties were investigated by hardness and tensile tests with different La concentrations. The addition of small amounts of La (0.1 wt.%) significantly improved the ultimate tensile strength and quality index of the Al-Si-Cu-Mg alloy. In addition, the hardness value of Al-11Si-Cu increased by 7-8% with the increasing amount of La added.

  5. Eutectic nucleation in hypoeutectic Al-Si alloys

    SciTech Connect

    Nafisi, S. Ghomashchi, R.; Vali, H.

    2008-10-15

    The nucleation mechanism of eutectic grains in hypoeutectic Al-Si foundry alloys has been investigated by examining deep etched specimens in high-resolution field emission gun scanning electron microscope (FEG-SEM) and by using in-situ Focused Ion Beam (FIB) milling and microscopy. Both unmodified and Sr-modified alloys were studied to characterize the nucleation mechanism of eutectic silicon flakes and fibers. It is proposed that following nucleation of eutectic Al on the primary {alpha}-Al dendrites, fine Si particles form at the solidification front upon which the eutectic Si flakes and fibers could develop. The formation of small Si particles is attributed to Si enrichment of the remaining melt due to the formation of eutectic Al (aluminum spikes) at the eutectic temperature. A hypothesis is then proposed to explain the mechanism of eutectic grains formation with main emphasis on the eutectic Si phase.

  6. Ca(Ti,Si)O3 Diamond Inclusions Crystallized From Carbonate Melts in the Transition Zone: Experimental Constraints

    NASA Astrophysics Data System (ADS)

    Armstrong, L. S.; Walter, M. J.; Keshav, S.; Bulanova, G.; Pickles, J.; Lord, O. T.; Lennie, A.

    2007-12-01

    the Juina inclusions, suggesting that melt may be involved in their formation. The MgSiO3-content of calcium perovskite in nominally volatile-free melting experiments on natural peridotite and eclogite compositions8-9 is also much higher than that of the Juina inclusions (>3 mol%). We have made melting experiments on model carbonated peridotite (CMS-Ti- CO2) and eclogite (CMAS-Ti-CO2) compositions at 20 GPa using multi-anvil techniques at the Bayerisches Geoinstitut. We find that liquidus Ca(Ti,Si)-perovskite coexisting with Ca-carbonatite melt is remarkably depleted in MgSiO3 component, and that the Ti-rich diamond inclusion compositions are well-matched by perovskite crystallized from melt derived from a model eclogite source. We suggest that diamond and CaTi-perovskite crystallized syngenetically from a melt derived from carbonated eclogite in the transition zone.1. Hayman, Kopylova, & Kaminsky, CMP 149, 430-445 (2005). 2. Kaminsky et al., CMP 140, 734-753 (2001). 3. Kubo, Suzuki, & Akaogi, PCM 24, 488-494 (1997). 4. Brenker et al., EPSL 236, 579-587 (2005). Harte et al., GS Spec. Pub. #6, 125-153 (1999). 6. Stachel et al, CMP 140, 16-27 (2000). 7. Hirose et al.. Nature 397, 53-56 (1999). 8. Irifune & Ringwood, EPSL 117, 101-110 (1993). 9. Corgne et al., GCA 69, 485-496 (2005).

  7. X-Ray Data on Extraterrestrial CA Dialuminate (CaAl4O7)

    NASA Astrophysics Data System (ADS)

    Weber, D.; Ross, C. R., II; Bischoff, A.

    1993-07-01

    After the first discovery of Ca-dialuminate (CaAl4O7) in Allende [1], in recent years this phase has been found in several carbonaceous chondrites. Ca- dialuminate is a major phase in Ca,Al-rich inclusions from ALH85085 (e.g., [2]) and a dominating phase in CAIs from Acfer 182 ([3,4]). X-ray data on Ca-dialuminate are known from synthetic (e.g., [5-8]; cell constants) and terrestrial CaAl4O7 ([9]; only d-spacings), but are not available from extraterrestrial Ca-dialuminate. We report here the results of the first X-ray study of extraterrestrial Ca- dialuminate. The data (Table 1) were obtained by microdiffraction using a Rigaku PSPC microdiffractometer at the Bayerisches Geoinstitut. Ni-filtered Cr radiation was used with a direct beam diameter of about 50 micrometers. This powder diffraction method allows in situ measurement of polycrystalline Ca- dialuminate in a thin section. The CaAl4O7-rich inclusion 022/9 described in [4], consisting of a ~200-micrometer-sized core of Ca-dialuminate surrounded by layers of melilite and Ca-pyroxene, was chosen for analysis. The polycrystalline core contains only a small number of tiny inclusions (especially perovskite) and is therefore an excellent candidate for an X-ray study. For determination of the d-spacings of Ca-dialuminate an external standard (Ag6Ge10P12) was used for detector calibration. A large number of reflections could be indexed based upon comparison with the X-ray pattern of synthetic CaAl4O7 available in the JCPDS compilation [7]. The comparison was simplified because of the high purity of CaAl4O7 in inclusion 022/9 [4], and suggests the same structure for synthetic and extraterrestrial Ca-dialuminate. For determination of lattice parameters (cell constants, cell volume) refinement calculations were made based on 14 reflections (Table 1). The data for extraterrestrial CaAl4O7 shown in Table 1 indicate a close similarity to those obtained for synthetic CaAl4O7. The cell constants a, b, and therefore the cell

  8. Optical properties of TiAlC/TiAlCN/TiAlSiCN/TiAlSiCO/TiAlSiO tandem absorber coatings by phase-modulated spectroscopic ellipsometry

    NASA Astrophysics Data System (ADS)

    Jyothi, J.; Biswas, A.; Sarkar, P.; Soum-Glaude, A.; Nagaraja, H. S.; Barshilia, Harish C.

    2017-07-01

    TiAlC, TiAlCN, TiAlSiCN, TiAlSiCO, and TiAlSiO layers of thicknesses 2.2 μm, 755, 491, 393, and 431 nm, respectively, were deposited on stainless steel, silicon, and glass substrates to study their refractive indices and extinction coefficients using the phase-modulated spectroscopic ellipsometry in the wavelength range of 300-1200 nm. Absorption coefficient of each layer was calculated from the extinction coefficient of the layer. The results indicate that the first three layers (i.e., TiAlC, TiAlCN, and TiAlSiCN) are absorbing in nature, while TiAlSiCO and TiAlSiO act as intermediate and antireflection layers. Subsequently, a tandem absorber of TiAlC/TiAlCN/TiAlSiCN/TiAlSiCO/TiAlSiO with layer thicknesses of 62, 20, 18, 16, and 27 nm, respectively, was deposited on stainless steel substrates to fabricate a spectrally selective coating with absorptance of 0.961 and emittance of 0.15 at 82 °C. The obtained refractive indices and extinction coefficients of the tandem absorber were used to simulate the reflectance of the deposited tandem absorber using SCOUT software. Simulated reflectance data of the tandem absorber showed a good agreement with the experimental data measured by UV-Vis-NIR and FTIR spectrophotometry. The angular dependence of the selective properties of the tandem absorber was studied by measuring the reflectance spectra of the tandem absorber at different incident angles.

  9. Fracture toughness of SiC/Al composites

    SciTech Connect

    Flom, Y.

    1987-01-01

    Discontinuous SiC/Al composites were fabricated with different size SiC particles in order to study the role of particle size on the fracture process. Tensile-test data show that the Young's modulus in independent of SiC particle size, whereas yield stress and ultimate strength decreases, and strain to fracture and ductility increases as SiC particle size increases. The fracture behavior of SiC/Al is unique in the sense that it has features of brittle and ductile mechanisms. The fracture process is matrix controlled up to SiC particle sizes of 20 ..mu..m and above, where fracture of SiC begins to dominate. The matrix is influenced by residual hydrostatic tension and high density of dislocations generated at SiC/Al interfaces due to the difference in coefficient of thermal expansion (CTE) between SiC and Al matrix. The crack-initiation fracture toughness does not depend on SiC particle size, and the crack-growth fracture toughness increases as the size of the SiC particles increase.

  10. Vacuum ultraviolet thin films. I - Optical constants of BaF2, CaF2, LaF3, MgF2, Al2O3, HfO2, and SiO2 thin films. II - Vacuum ultraviolet all-dielectric narrowband filters

    NASA Technical Reports Server (NTRS)

    Zukic, Muamer; Torr, Douglas G.; Spann, James F.; Torr, Marsha R.

    1990-01-01

    An iteration process matching calculated and measured reflectance and transmittance values in the 120-230 nm VUV region is presently used to ascertain the optical constants of bulk MgF2, as well as films of BaF2, CaF2, LaF3, MgF2, Al2O3, HfO2, and SiO2 deposited on MgF2 substrates. In the second part of this work, a design concept is demonstrated for two filters, employing rapidly changing extinction coefficients, centered at 135 nm for BaF2 and 141 nm for SiO2. These filters are shown to yield excellent narrowband spectral performance in combination with narrowband reflection filters.

  11. A semi-empirical thermodynamic formalism for high-pressure aqueous silicate solutions in the model system K2O-Na2O-CaO-MgO-Al2O3-SiO2-H2O-CO2, a first approach

    NASA Astrophysics Data System (ADS)

    Schertl, H.; Burchard, M.; Hertwig, A.; Maresch, W. V.

    2012-12-01

    The results of experimental solubility determinations in aqueous solutions at high pressures up to 5 GPa are often difficult to gauge with respect to precision and accuracy, because of the potential uncertainties inherent in the available experimental approaches. Existing models of aqueous silicate solutions at low pressures are either unsuitable for extrapolation beyond 0.5 to 1.0 GPa or involve polynomial fits in which the fit parameters lack direct physical meaning. An approach described by Gerya et al. [1,2], based on statistical thermodynamics, allows aqueous silicate solutions to be described as mixtures of fictive oxide "components" together with water molecules in both clustered and "gas-like", i.e. unassociated, states. Burchard et al. [3] presented a first data set for fluids in the system CaO-SiO2-H2O, using the statistical thermodynamic formulation of Gerya et al [1,2] and extending it to include charged fluid species such as Ca2+, Ca(OH)+, Ca(OH)2, OH- and H+. We have now further developed the data set of Burchard et al. [3] by including carbonic fluid species and extending the model system to include MgO and Al2O3. In addition, initial progress has been made in including potassium and sodium model species. Solid phase data were obtained by mathematical conversion of existing thermodynamic mineral data into the semi-empirical form. With this semi-empirical data set calculations for simple, "wet" silicate rocks are now possible. We present applications to suites of jadeitites and jadeite-lawsonite-quartz rocks from the Rio San Juan serpentinite mélanges of the northern Dominican Republic. These rocks have crystallized from high-pressure aqueous fluids in a long-lived intra-oceanic subduction-zone environment at various times and at different P-T conditions (Schertl et al. [4]). The fluid-rock interactions leading to these spectacular rocks are still poorly understood. [1] Gerya et al. (2004) Phys. Chem. Minerals 31, 429-455; [2] Gerya et al. (2005) Eur

  12. Thermodynamic tabulations for selected phases in the system CaO-Al2O3-SiO2-H2 at 101.325 kPa (1 atm) between 273.15 and 1800 K

    USGS Publications Warehouse

    Haas, John L.; Robinson, Glipin R.; Hemingway, Bruch S.

    1981-01-01

    The standard thermodynamic properties of phases in the lime‐alumina‐silica‐ water system between 273.15 and 1800 K at 101.325 kPa (1 atm) were evalated from published experimental data. Phases included in the compilation are boehmite, diaspore, gibbsite, kaolinite, dickite, halloysite, andalusite, kyanite, sillimanite, Ca‐Al cliniopyroxene, anorthite, gehlenite, grossular, prehnite, zoisite, margarite, wollastonite, cyclowollastonite ( = pseudowollastonite), larnite, Ca olivine, hatrurite, and rankinite. The properties include heat capacity, entropy, relative enthalpy, and the Gibbs energy function of the phases and the enthalpies, Gibbs energies, and equilibrium constants for formation both from the elements and the oxides. Tabulated values are given at 50 K intervals with the 2‐sigma confidence limit at 250 K intervals. Summaries for each phase give the temperature‐ dependent functions for heat capacity, entropy, and relative enthalpy and the experimental data used in the final evaluation.

  13. Reoxidation of Aluminum in Fe- Al- M (M = C, Mn, and Ti) melts with CaO-Al2 O3-Fe t O (3 mass pct) slags

    NASA Astrophysics Data System (ADS)

    Lee, Kwang Ro; Suito, Hideaki

    1996-06-01

    An Fe-0.01 to 0.5 mass pct Al alloy and an Fe-0.003 to 0.71 mass pct Al-1 mass pct M (M = C, Mn, and Ti) alloy were reoxidized with the CaO-Al2O3-FetO (3 mass pct) slags at 1873 K in an Al2O3 or CaO crucible for 5 and 60 minutes. The contents of acid-insoluble Al, total O, and alloying element M in metal as well as those of M and FetO in slag were measured as a function of total Al content. On the basis of the present and previous results for Fe- Al- Te alloys, the effect of alloying elements on the degree of supersaturation with respect to the Al2O3 precipitation was studied. As a result, the supersaturation phenomenon was observed in all experiments at 5 minutes, but in the experiments at 60 minutes, it was observed only in Fe- Al and Fe- Al- Ti alloys. No supersaturation was observed in the reoxidation of Si in Fe-0.13 to 0.98 mass pct Si alloys with the CaO-SiO2-FetO (3 mass pct) slags in a CaO crucible at 5 and 60 minutes.

  14. Thermogynamics of Genesis of Ca-Al-Inclusions in Chrondrites

    NASA Astrophysics Data System (ADS)

    Shornikov, S. I.

    2013-09-01

    The semi-empirical model was used for thermodynamic calculations of composition changes in the Ca-Al-Inclusions in chondrites during their evaporation and condensation. The presented model discussed with the Grossman approaches.

  15. Observations of Al, Fe and Ca(+) in Mercury's Exosphere

    NASA Technical Reports Server (NTRS)

    Bida, Thomas A.; Killen, Rosemary M.

    2011-01-01

    We report 5-(sigma) tangent column detections of Al and Fe, and strict 3-(sigma) tangent column upper limits for Ca(+) in Mercury's exosphere obtained using the HIRES spectrometer on the Keck I telescope. These are the first direct detections of Al and Fe in Mercury's exosphere. Our Ca(-) observation is consistent with that reported by The Mercury Atmospheric and Surface Composition Spectrometer (MASCS) on the MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) spacecraft.

  16. Air Plasma-Sprayed La2Zr2O7-SrZrO3 Composite Thermal Barrier Coating Subjected to CaO-MgO-Al2O3-SiO2 (CMAS)

    NASA Astrophysics Data System (ADS)

    Cai, Lili; Ma, Wen; Ma, Bole; Guo, Feng; Chen, Weidong; Dong, Hongying; Shuang, Yingchai

    2017-08-01

    La2Zr2O7-SrZrO3 composite thermal barrier coatings (TBCs) were prepared by air plasma spray (APS). The La2Zr2O7-SrZrO3 composite TBCs covered with calcium-magnesium-aluminum-silicate (CMAS) powder, as well as the powder mixture of CMAS and spray-dried La2Zr2O7-SrZrO3 composite powder, were heat-treated at 1250 °C in air for 1, 4, 8, and 12 h. The phase constituents and microstructures of the reaction products were characterized by x-ray diffraction, scanning electron microscopy, and energy-dispersive spectroscopy. Experimental results showed that the La2Zr2O7-SrZrO3 composite TBCs had higher CMAS resistance than 8YSZ coating. A dense new layer developed between CMAS and La2Zr2O7-SrZrO3 composite TBCs during interaction, and this new layer consisted mostly of apatite (Ca2La8(SiO4)6O2) and c-ZrO2. The newly developed layer effectively protected the La2Zr2O7-SrZrO3 composite TBCs from further CMAS attack.

  17. Chemical behavior of indigenous impurities (Al, Fe, Si, Mg, F, K, Na, NH{sub 3}, Ca, and SO{sub 4}) during the production of filter-grade wet-process phosphoric acid

    SciTech Connect

    Sullivan, J.M.; Frazier, A.W.; Griffin, C.L.; Grinstead, J.H. Jr.; Kim, Y.K.; Kohler, J.J.

    1992-12-01

    The conventional (dihydrate process) extraction of phosphate rocks with sulfuric acid and subsequent filtration results in a dilute ``filter-grade`` wet-process phosphoric acid (WPA) containing many cationic and anionic impurities which can cause problems during fertilizer production. Most of these problems result because many of the impurities are present in amounts above saturation. This factorial study was designed to define the nature and amounts of components precipitating from simulated filter-grade (28% P{sub 2}O{sub 5}) phosphoric acid at 85, 68, and 25 C, with 2-day retention times. Results show that the precipitation of the iron ammonium and iron potassium phosphates generally provide the largest source of solids in filter-grade phosphoric acid; Mg and Ca fluoroaluminates and alkali fluorosilicates also provide a significant proportion of solids. The distribution of solids between these 3 groups is governed by the F/Si ratio in the acid. The study also delineates the deleterious effect of ammonia contamination (such as from ammonia leakage to gypsum ponds).

  18. Chemical behavior of indigenous impurities (Al, Fe, Si, Mg, F, K, Na, NH[sub 3], Ca, and SO[sub 4]) during the production of filter-grade wet-process phosphoric acid

    SciTech Connect

    Sullivan, J.M.; Frazier, A.W.; Griffin, C.L.; Grinstead, J.H. Jr.; Kim, Y.K.; Kohler, J.J.

    1992-01-01

    The conventional (dihydrate process) extraction of phosphate rocks with sulfuric acid and subsequent filtration results in a dilute ''filter-grade'' wet-process phosphoric acid (WPA) containing many cationic and anionic impurities which can cause problems during fertilizer production. Most of these problems result because many of the impurities are present in amounts above saturation. This factorial study was designed to define the nature and amounts of components precipitating from simulated filter-grade (28% P[sub 2]O[sub 5]) phosphoric acid at 85, 68, and 25 C, with 2-day retention times. Results show that the precipitation of the iron ammonium and iron potassium phosphates generally provide the largest source of solids in filter-grade phosphoric acid; Mg and Ca fluoroaluminates and alkali fluorosilicates also provide a significant proportion of solids. The distribution of solids between these 3 groups is governed by the F/Si ratio in the acid. The study also delineates the deleterious effect of ammonia contamination (such as from ammonia leakage to gypsum ponds).

  19. Removal of B from Si by Hf addition during Al-Si solvent refining process.

    PubMed

    Lei, Yun; Ma, Wenhui; Sun, Luen; Wu, Jijun; Dai, Yongnian; Morita, Kazuki

    2016-01-01

    A small amount of Hf was employed as a new additive to improve B removal in the electromagnetic solidification refinement of Si with an Al-Si melt, because Hf has a very strong affinity for B. The segregation ratio of Hf between the solid Si and Al-Si melt was estimated to range from 4.9 × 10(-6) to 8.8 × 10(-7) for Al concentrations of 0 to 64 at.%, respectively. The activity coefficient of Hf in solid Si at its infinite dilution was also estimated. A small addition of Hf (<1025 parts per million atoms, ppma) significantly improved the B removal. It was confirmed that the use of an increased Hf addition, slower cooling rate, and Al-rich Al-Si melt as the refining solvent removed B more efficiently. B in Si could be removed as much as 98.2% with 410 ppma Hf addition when the liquidus temperature of the Al-Si melt was 1173 K and the cooling rate was 4.5-7.6 K min(-1). The B content in Si could be controlled from 153 ppma to 2.7 ppma, which meets the acceptable level for solar-grade Si.

  20. The molar volume of cubic garnets in the system SiO2-Al2O3-TiO2-Fe2O3-Cr2O3-FeO-MnO-MgO-CaO-Na2O

    NASA Astrophysics Data System (ADS)

    Hamecher, E. A.; Antoshechkina, P. M.; Ghiorso, M. S.; Asimow, P. D.

    2012-12-01

    Garnet is a critical phase that controls major and trace element partitioning at pressures above ~3 GPa during partial melting of the Earth's upper mantle. A molar volume model is calibrated for cubic garnets (space group Ia3d) in the oxide system listed in the title. This model and a recent calibration of spinel molar volume (Hamecher et al., in press, CMP) will be used in calibration of thermodynamic activity-composition models of garnet and pyroxene solid solutions. The activity and molar volume models will be incorporated into the next generation MELTS (Ghiorso & Sack, 1995, CMP) model, xMELTS. A new garnet volume model calibrated with recent in situ high-P, T diffraction data is crucial for accurately modeling key mineralogical transitions in the mantle, e.g., the spinel-garnet transition and the mantle transition zone. Above 5 GPa a majorite component is an essential part of any thermodynamic model of mantle garnets, which to be useful must accurately predict garnet stability with respect to spinel, pyroxene, perovskites, and melt. Our model system contains nine independent end members: Ca3Al2Si3O12, Mg3Al2Si3O12, Fe2+3Al2Si3O12, Mg3Cr2Si3O12, Mg3Fe3+2Si3O12, Mn3Al2Si3O12, Na2(MgSi2)Si3O12, Mg3(TiMg)Si3O12, and cubic majorite component Mg3(MgSi)Si3O12. An inclusive set of end-member components is formed by linear combinations of these explicit end members. Approximately 950 published X-ray diffraction experiments performed on garnets at ambient and in situ high-P, T conditions are used to calibrate end-member equations of state and an excess volume model for this system. Optimal values of the bulk modulus and its pressure derivative are obtained by analyzing published compression and/or ultrasonic data for the end members for which such studies exist; for other end members, density functional theory results are used. For any cubic garnet in this chemical system, the model molar volume is obtained by adding excess volume terms to a linear combination of the

  1. Solid-state {sup 27}Al and {sup 29}Si NMR characterization of hydrates formed in calcium aluminate-silica fume mixtures

    SciTech Connect

    Pena, P.; Rivas Mercury, J.M.

    2008-08-15

    Partially deuterated Ca{sub 3}Al{sub 2}(SiO{sub 4}){sub y}(OH){sub 12-4y}-Al(OH){sub 3} mixtures, prepared by hydration of Ca{sub 3}Al{sub 2}O{sub 6} (C{sub 3}A), Ca{sub 12}Al{sub 14}O{sub 33} (C{sub 12}A{sub 7}) and CaAl{sub 2}O{sub 4} (CA) phases in the presence of silica fume, have been characterized by {sup 29}Si and {sup 27}Al magic-angle spinning-nuclear magnetic resonance (MAS-NMR) spectroscopies. NMR spectroscopy was used to characterize anhydrous and fully hydrated samples. In hydrated compounds, Ca{sub 3}Al{sub 2}(OH){sub 12} and Al(OH){sub 3} phases were detected. From the quantitative analysis of {sup 27}Al NMR signals, the Al(OH){sub 3}/Ca{sub 3}Al{sub 2}(OH){sub 12} ratio was deduced. The incorporation of Si into the katoite structure, Ca{sub 3}Al{sub 2}(SiO{sub 4}){sub 3-x}(OH){sub 4x}, was followed by {sup 27}Al and {sup 29}Si NMR spectroscopies. Si/OH ratios were determined from the quantitative analysis of {sup 27}Al MAS-NMR components associated with Al(OH){sub 6} and Al(OSi)(OH){sub 5} environments. The {sup 29}Si NMR spectroscopy was also used to quantify the unreacted silica and amorphous calcium aluminosilicate hydrates formed, C-S-H and C-A-S-H for short. From {sup 29}Si NMR spectra, the amount of Si incorporated into different phases was estimated. Si and Al concentrations, deduced by NMR, transmission electron microscopy, energy dispersive spectrometry, and Rietveld analysis of both X-ray and neutron data, indicate that only a part of available Si is incorporated in katoite structures. - Graphical abstract: Transmission electron micrograph of CaAl{sub 2}O{sub 4}-microsilica mixture hydrated at 90 deg. C for 31 days showing a cubic Ca{sub 3}Al{sub 2.0{+-}}{sub 0.2}(SiO{sub 4}){sub 0.9{+-}}{sub 0.2}(OH){sub 1.8} crystal surrounded by unreacted amorphous silica spheres.

  2. Valence-electron spectral change and charge transfer mechanism of CaSi 2 during CaSi 2H 2O reaction

    NASA Astrophysics Data System (ADS)

    Abe, S.; Nakayama, H.; Nishino, T.; Iida, S.

    1997-04-01

    The changes in the valence electron states of CaSi 2 during the chemical reaction with H 2O have been investigated by Auger valence electron spectroscopy (AVES). The drastic changes in the valence electron spectra of 3s and 3p states, which are caused by the oxidization of the Si atoms in CaSi 2, were observed in Si[2s, 2p, V] spectra for CaSi 2 after the reaction. In particular, the Si[2s, 2p, V] spectra of CaSi 2 samples reacted with H 2O at 60 or 80°C for 3 h were almost similar to that of SiO 2. The peak shift of Ca[2p, 3p, 3p] Auger transition toward the lower energy side has been observed, suggesting the formation of bonds between Ca 3p and O orbitals. New peaks due to CaO or CaOH bonds also appeared in the valence electron region of Ca[2p, 3p, V] Auger transition. The charge transfer and the chemical-bond formation can be well demonstrated by AVES during the CaSi 2H 2O reaction.

  3. Brown CA et al 2016 Dataset

    EPA Pesticide Factsheets

    This dataset contains the research described in the following publication:Brown, C.A., D. Sharp, and T. Mochon Collura. 2016. Effect of Climate Change on Water Temperature and Attainment of Water Temperature Criteria in the Yaquina Estuary, Oregon (USA). Estuarine, Coastal and Shelf Science. 169:136-146, doi: 10.1016/j.ecss.2015.11.006.This dataset is associated with the following publication:Brown , C., D. Sharp, and T. MochonCollura. Effect of Climate Change on Water Temperature and Attainment of Water Temperature Criteria in the Yaquina Estuary, Oregon (USA). ESTUARINE, COASTAL AND SHELF SCIENCE. Elsevier Science Ltd, New York, NY, USA, 169: 136-146, (2016).

  4. Surface acoustic wave devices on AlN/3C-SiC/Si multilayer structures

    NASA Astrophysics Data System (ADS)

    Lin, Chih-Ming; Chen, Yung-Yu; Felmetsger, Valery V.; Lien, Wei-Cheng; Riekkinen, Tommi; Senesky, Debbie G.; Pisano, Albert P.

    2013-02-01

    Surface acoustic wave (SAW) propagation characteristics in a multilayer structure including a piezoelectric aluminum nitride (AlN) thin film and an epitaxial cubic silicon carbide (3C-SiC) layer on a silicon (Si) substrate are investigated by theoretical calculation in this work. Alternating current (ac) reactive magnetron sputtering was used to deposit highly c-axis-oriented AlN thin films, showing the full width at half maximum (FWHM) of the rocking curve of 1.36° on epitaxial 3C-SiC layers on Si substrates. In addition, conventional two-port SAW devices were fabricated on the AlN/3C-SiC/Si multilayer structure and SAW propagation properties in the multilayer structure were experimentally investigated. The surface wave in the AlN/3C-SiC/Si multilayer structure exhibits a phase velocity of 5528 m s-1 and an electromechanical coupling coefficient of 0.42%. The results demonstrate the potential of AlN thin films grown on epitaxial 3C-SiC layers to create layered SAW devices with higher phase velocities and larger electromechanical coupling coefficients than SAW devices on an AlN/Si multilayer structure. Moreover, the FWHM values of rocking curves of the AlN thin film and 3C-SiC layer remained constant after annealing for 500 h at 540 °C in air atmosphere. Accordingly, the layered SAW devices based on AlN thin films and 3C-SiC layers are applicable to timing and sensing applications in harsh environments.

  5. Defining and comparing vibration attributes of AlSi10 foam and CFRP coated AlSi10 foam materials

    NASA Astrophysics Data System (ADS)

    Çolak, O.; Yünlü, L.

    2017-06-01

    Now, Aluminum materials have begun being manufactured as porous structures and being used with additive composite materials through emerging manufacturing technologies. These materials those porous structures have also begun being used in many areas such as automotive and aerospace due to light-weighted structures. In addition to examining mechanical behavior of porous metallic structures, examining vibration behavior is important for defining characteristic specifications. In this study, vibration attributes belong to %80 porous AlSi10 foam and CFRP coated %80 porous AlSi10 foam are determined with modal analysis. Modal parameters such as natural frequencies and damping coefficient from frequency response functions at the end of hammer impact tests. It is found that natural frequency of CFRP coated AlSi10 foam’s is 1,14 times bigger than AlSi10 foam and damping coefficient of CFRP coated AlSi10 foam is 5 times bigger than AlSi10 foam’s with tests. Dynamic response of materials in various conditions is simulated by evaluating modal parameters with FEM. According to results of the study, CFRP coating on AlSi10 foam effect vibration damping and resonance avoidance ability positively.

  6. Dose-enhancement effects in TaSi/Al- and Al-gate MOS devices

    SciTech Connect

    Fleetwood, D.M.; Beutler, D.E.; Draper, B.L.; Knott, D.; Brown, D.B.; Rosenstock, H.

    1988-01-01

    The response of MOS capacitors with TaSi/Al and Al electrodes to medium- and low-energy x-irradiation is investigated. Experimentally measured dose-enhancement effects are compared with computer simulations for these structures.

  7. Melting phase relations of model carbonated peridotite from 2 to 3 GPa in the system CaO-MgO-Al2O3-SiO2-CO2 and further indication of possible unmixing between carbonatite and silicate liquids

    NASA Astrophysics Data System (ADS)

    Novella, Davide; Keshav, Shantanu; Gudfinnsson, Gudmundur H.; Ghosh, Shaunak

    2014-04-01

    Melting phase relations of model carbonated peridotite in the system CaO-MgO-Al2O3-SiO2-CO2 from 2 to 3 GPa are reported. Experimentally produced melts, which are model carbonatites, with approximately 36-40 wt % CaO, 12-17 wt % MgO, 0.2-1.5 wt % Al2O3, 1-4 wt % SiO2, and 40-42 wt % CO2 (carbon dioxide) are present at all pressures investigated. At 2.8 and 3 GPa, carbonatitic melts are seen experimentally at temperatures that are very close to the vapor-free (CO2) peridotite solidus and are found in equilibrium with forsterite, orthopyroxene, clinopyroxene, and garnet. Solidus phase relations with isobaric and pressure-temperature invariant points, defining the so-called carbonated peridotite solidus ledge, are also reported from 2.1 to 3 GPa. A divariant region exists from 2 to 2.6 GPa wherein two, compositionally different melts are present. In this region, these two melts, carbonatitic and silicate in composition, coexist with crystalline phase assemblage and free vapor. The silicate liquid has approximately 30-48 wt % SiO2 and approximately 6 to 20 wt % of dissolved CO2. The presence of carbonatitic and silicate liquids is interpreted to be due to liquid immiscibility. On the basis of melting phase relations reported here, we conclude that (a) the ledge is a feature along which model carbonatitic liquids are produced by reaction of silicates and CO2 vapor and (b) alkali-free carbonatites and silicate melts can form through melt unmixing at depths of ~60-80 km in the Earth's mantle.

  8. Molecular Structures of Al/Si and Fe/Si Coprecipitates and the Implication for Selenite Removal.

    PubMed

    Chan, Ya-Ting; Kuan, Wen-Hui; Tzou, Yu-Min; Chen, Tsan-Yao; Liu, Yu-Ting; Wang, Ming-Kuang; Teah, Heng-Yi

    2016-04-20

    Aluminum and iron oxides have been often used in the coagulation processes during water purification due to their unique surface properties toward anions. In the presence of silica, the coprecipitation of Al/Si or Fe/Si might decrease the efficiency of wastewater purification and reuse. In this study, surface properties and molecular structures of Al/Si and Fe/Si coprecipitates were characterized using spectroscopic techniques. Also, the selenite removal efficiency of Al/Si and Fe/Si coprecipitates in relation to their surface and structural properties was investigated. While dissolved silicate increased with increasing pH from Fe/Si coprecipitates, less than 7% of silicate was discernible from Al/Si samples over the range from acidic to alkaline conditions. Our spectroscopic results showed that the associations between Al and Si were relatively stronger than that between Fe and Si in coprecipitates. In Al/Si coprecipitates, core-shell structures were developed with AlO6/AlO4 domains as the shells and Si frameworks polymerized from the SiO2 as the cores. However, Si framework remained relatively unchanged upon coprecipitation with Fe hydroxides in Fe/Si samples. The Si core with Al shell structure of Al/Si coprecipitates shielded the negative charges from SiO2 and thereby resulted in a higher adsorption capacity of selenite than Fe/Si coprecipitates.

  9. Molecular Structures of Al/Si and Fe/Si Coprecipitates and the Implication for Selenite Removal

    NASA Astrophysics Data System (ADS)

    Chan, Ya-Ting; Kuan, Wen-Hui; Tzou, Yu-Min; Chen, Tsan-Yao; Liu, Yu-Ting; Wang, Ming-Kuang; Teah, Heng-Yi

    2016-04-01

    Aluminum and iron oxides have been often used in the coagulation processes during water purification due to their unique surface properties toward anions. In the presence of silica, the coprecipitation of Al/Si or Fe/Si might decrease the efficiency of wastewater purification and reuse. In this study, surface properties and molecular structures of Al/Si and Fe/Si coprecipitates were characterized using spectroscopic techniques. Also, the selenite removal efficiency of Al/Si and Fe/Si coprecipitates in relation to their surface and structural properties was investigated. While dissolved silicate increased with increasing pH from Fe/Si coprecipitates, less than 7% of silicate was discernible from Al/Si samples over the range from acidic to alkaline conditions. Our spectroscopic results showed that the associations between Al and Si were relatively stronger than that between Fe and Si in coprecipitates. In Al/Si coprecipitates, core-shell structures were developed with AlO6/AlO4 domains as the shells and Si frameworks polymerized from the SiO2 as the cores. However, Si framework remained relatively unchanged upon coprecipitation with Fe hydroxides in Fe/Si samples. The Si core with Al shell structure of Al/Si coprecipitates shielded the negative charges from SiO2 and thereby resulted in a higher adsorption capacity of selenite than Fe/Si coprecipitates.

  10. Molecular Structures of Al/Si and Fe/Si Coprecipitates and the Implication for Selenite Removal

    PubMed Central

    Chan, Ya-Ting; Kuan, Wen-Hui; Tzou, Yu-Min; Chen, Tsan-Yao; Liu, Yu-Ting; Wang, Ming-Kuang; Teah, Heng-Yi

    2016-01-01

    Aluminum and iron oxides have been often used in the coagulation processes during water purification due to their unique surface properties toward anions. In the presence of silica, the coprecipitation of Al/Si or Fe/Si might decrease the efficiency of wastewater purification and reuse. In this study, surface properties and molecular structures of Al/Si and Fe/Si coprecipitates were characterized using spectroscopic techniques. Also, the selenite removal efficiency of Al/Si and Fe/Si coprecipitates in relation to their surface and structural properties was investigated. While dissolved silicate increased with increasing pH from Fe/Si coprecipitates, less than 7% of silicate was discernible from Al/Si samples over the range from acidic to alkaline conditions. Our spectroscopic results showed that the associations between Al and Si were relatively stronger than that between Fe and Si in coprecipitates. In Al/Si coprecipitates, core-shell structures were developed with AlO6/AlO4 domains as the shells and Si frameworks polymerized from the SiO2 as the cores. However, Si framework remained relatively unchanged upon coprecipitation with Fe hydroxides in Fe/Si samples. The Si core with Al shell structure of Al/Si coprecipitates shielded the negative charges from SiO2 and thereby resulted in a higher adsorption capacity of selenite than Fe/Si coprecipitates. PMID:27095071

  11. Reaction mechanism for in-situ β-SiAlON formation in Fe3Si-Si3N4-Al2O3 composites

    NASA Astrophysics Data System (ADS)

    Qin, Hai-xia; Li, Yong; Bai, Li-xiong; Long, Meng-long; Xue, Wen-dong; Chen, Jun-hong

    2017-03-01

    In this work, Fe3Si-Si3N4-Al2O3 composites were prepared at 1300°C in an N2 atmosphere using fused corundum and tabular alumina particles, Al2O3 fine powder, and ferrosilicon nitride (Fe3Si-Si3N4) as raw materials and thermosetting phenolic resin as a binder. The effect of ferrosilicon nitride with different concentrations (0wt%, 5wt%, 10wt%, 15wt%, 20wt%, and 25wt%) on the properties of Fe3Si-Si3N4-Al2O3 composites was investigated. The results show that the apparent porosity varies between 10.3% and 17.3%, the bulk density varies from 2.94 g/cm3 and 3.30 g/cm3, and the cold crushing strength ranges from 67 MPa to 93 MPa. Under the experimental conditions, ferrosilicon nitride, whose content decreases substantially, is unstable; part of the ferrosilicon nitride is converted into Fe2C, whereas the remainder is retained, eventually forming the ferrosilicon alloy. Thermodynamic assessment of the Si5AlON7 indicated that the ferrosilicon alloy accelerated the reactions between Si3N4 and α-Al2O3 fine powder and that Si in the ferrosilicon alloy was nitrided directly, forming β-SiAlON simultaneously. In addition, fused corundum did not react directly with Si3N4 because of its low reactivity.

  12. Microstructures and Properties of Ti-Coated SiCp Reinforced Al-Si Alloy Composites

    NASA Astrophysics Data System (ADS)

    Feng, Yan; Ren, Junpeng; Dong, Cuige; Wang, Richu

    2016-12-01

    A double-layer structure of Ti coating was plated on the surface of SiC particles using a diffusion method in a vacuum reactor, which is a new method to fabricate a Ti-coating layer on the SiC particles. The phase structure of Ti coating on the surface of SiC particles was composed inside of Ti5Si3 and outside of TiC investigated by x-ray diffraction. The Ti5Si3 and TiC double-layer structure realizes the tight chemical bonding between SiC particles and the Ti coating, and significantly promotes the wettability between the aluminum matrix and the Ti-coated SiC particles. The Ti-coated SiCp-reinforced Al-Si composites are prepared by a powder metallurgy method, and express excellent relative densities, desirable mechanical properties and frictional wear resistance.

  13. Microstructures and Properties of Ti-Coated SiCp Reinforced Al-Si Alloy Composites

    NASA Astrophysics Data System (ADS)

    Feng, Yan; Ren, Junpeng; Dong, Cuige; Wang, Richu

    2017-04-01

    A double-layer structure of Ti coating was plated on the surface of SiC particles using a diffusion method in a vacuum reactor, which is a new method to fabricate a Ti-coating layer on the SiC particles. The phase structure of Ti coating on the surface of SiC particles was composed inside of Ti5Si3 and outside of TiC investigated by x-ray diffraction. The Ti5Si3 and TiC double-layer structure realizes the tight chemical bonding between SiC particles and the Ti coating, and significantly promotes the wettability between the aluminum matrix and the Ti-coated SiC particles. The Ti-coated SiCp-reinforced Al-Si composites are prepared by a powder metallurgy method, and express excellent relative densities, desirable mechanical properties and frictional wear resistance.

  14. Electromagnetic moments of short lived beta emitters F-21, Mg-23, Si-27 and Ca-39

    SciTech Connect

    Matsuta, K.; Onishi, T.; Fukuda, M.; Minamisono, T.; Akai, H.; Sasaki, M.; Yamaguchi, T.; Miyake, T.; Sato, K.; Minamisono, K.; Ohsumi, F.; Muramoto, Y.; Oui, S.; Ha, C.; Tanaka, K.; Kidera, K.; Morishita, A.; Kitagawa, A.; Torikoshi, M.; Kanazawa, M.; Nishio, T.; Koda, S.; Ohtsubo, T.; Fukuda, S.; Nojiri, Y.; Momota, S.; Ozawa, A.; Yoshida, K.; Suzuki, T.; Kobayashi, T.; Tanihata, I.; Hanna, S. S.; Alonso, J. R.; Krebs, G. F.; Symons, T. J. M.

    1999-01-01

    The beta-NMR spectra of {sup 21}F, {sup 23}Mg, {sup 27}Si and {sup 39}Ca which were produced in heavy ion collisions and implanted in various crystals have been observed. The magnetic moments of {sup 21}F and {sup 27}Si were determined to be {vert_bar}{mu}({sup 21}F){vert_bar} = 3.9194 {+-} 0.0012 {mu}{sub N} and {vert_bar}{mu}({sup 27}Si){vert_bar} = 0.8653 {+-} 0.0003 {mu}{sub N}, respectively. The electric quadrupole coupling constants were determined for the first time to be {vert_bar}eqQ({sup 21}F in MgF{sub 2})/h{vert_bar}= 9.94 {+-} 0.09 MHz, {vert_bar}eqQ({sup 23}Mg in MgF{sub 2})/h{vert_bar}= 1.96 {+-} 0.06 MHz, {vert_bar}eqQ({sup 27}Si in Al{sub 2}O{sub 3})/h{vert_bar}= 1.90 {+-} 0.12 MHz, {vert_bar}eqQ({sup 39}Ca in CaCO{sub 3})/h{vert_bar}= 0.60 {+-} 0.04 MHz. From the present eqQ/h, the Q moments were deduced as {vert_bar}Q({sup 21}F){vert_bar}= 110 {+-} 22 mb, {vert_bar}Q({sup 23}Mg){vert_bar}= 114 {+-} 3 mb, {vert_bar}Q({sup 27}Si){vert_bar}= 60 {+-} 13 mb and {vert_bar}Q({sup 39}Ca){vert_bar}= 36 {+-} 7 mb. The present data were compared with the theoretical values obtained by the OXBASH shell model code.

  15. Precipitation of (Si2-xAlx)Hf in an Al-Si-Mg-Hf Alloy.

    PubMed

    Wang, Xueli; Xie, Zhiqiang; Huang, Huilan; Jia, Zhihong; Yang, Guang; Gu, Lin; Liu, Qing

    2017-08-01

    The morphology, composition, and structure of precipitates in an Al-Si-Mg-Hf alloy after heat treatment at 560°C for 20 h were studied by means of C s -corrected high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM), energy dispersive X-ray spectrometry (EDS), high-resolution transmission electron microscopy (HRTEM), and first-principle calculations. Precipitates with three kinds of morphologies were observed. The rectangular and square precipitates were predominantly (Si2-x Al x )Hf phases, while the nanobelt-like precipitate is the Si2Hf phase. First-principle calculations were used to show that the Si6 and Si8 sites were the most favorable sites for Al incorporation in the orthorhombic Si2Hf phase.

  16. SiAlON ceramic compositions and methods of fabrication

    DOEpatents

    O'Brien, M.H.; Park, B.H.

    1994-05-31

    A method of fabricating a SiAlON ceramic body includes: (a) combining quantities of Si[sub 3]N[sub 4], Al[sub 2]O[sub 3] and CeO[sub 2] to produce a mixture; (b) forming the mixture into a desired body shape; (c) heating the body to a densification temperature of from about 1,550 C to about 1,850 C; (d) maintaining the body at the densification temperature for a period of time effective to densify the body; (e) cooling the densified body to a devitrification temperature of from about 1,200 C to about 1,400 C; and (f) maintaining the densified body at the devitrification temperature for a period of time effective to produce a [beta][prime]-SiAlON crystalline phase in the body having elemental or compound form Ce incorporated in the [beta][prime]-SiAlON crystalline phase. Further, a SiAlON ceramic body comprises: (a) an amorphous phase; and (b) a crystalline phase, the crystalline phase comprising [beta][prime]-SiAlON having lattice substituted elemental or compound form Ce.

  17. Study on Formation Mechanism of CaO-SiO2-Based Inclusions in Saw Wire Steel

    NASA Astrophysics Data System (ADS)

    Wang, Kun-Peng; Jiang, Min; Wang, Xin-Hua; Wang, Ying; Zhao, Hao-Qian; Cao, Zhan-Min

    2017-08-01

    Attempts were made to elucidate the formation mechanism of CaO-SiO2-based inclusions in saw wires by both laboratory experiments and industrial trials. The key point was to make clear the origin of CaO in such oxide inclusions. Probable origins of [Ca] in steel were first discussed, which can be taken into steel from the steel-slag reaction or ferrous alloy. As a result, slag-steel chemical reaction equilibrium was carefully evaluated at 1873 K (1600 °C) to classify the changes of dissolved aluminum ([Al]), total magnesium (Mg), and total calcium (Ca) in steel and the caused composition variations of inclusions. With the rise of slag basicity from 0.5 to 1.8, [Al] was remarkably increased from 0.00045 to 0.00139 mass pct, whereas Mg varied in the range of 0.00038 to 0.00048 mass pct. By contrast, Ca was constantly kept below 0.00003 mass pct. Accordingly, Al2O3 and MgO in inclusions witnessed obvious rises from 5 to 23 mass pct and from 2 to 8 mass pct, respectively. By contrast, inclusions were free of CaO when slag basicity was below 1.5. With slag basicity further increased to 1.8, CaO witnessed a negligible rise to only 1.0 mass pct on average. This phenomenon agreed well with thermodynamic calculations, which revealed that chemical reaction between steel and CaO in slag (for example, between [Si] and CaO) was weak to hardly supplying sufficient [Ca] to steel to increase CaO in inclusions. Ca contained in ferrous alloys as contaminations was not the cause of CaO-SiO2-based inclusions, either. The industrial trial results indicated that CaO-SiO2-based inclusions have been readily produced in short time just after BOF tapping. Also, a percentage of them changed slightly with the proceeding of refining. Based on the good agreement of laboratory, industrial, and thermodynamics calculations results, it can be reasonably concluded that CaO-SiO2-based inclusions in saw wire were exogenous particles from entrapped/emulsified top slag, but not products of slag

  18. Refinement of primary Si grains in Al-20%Si alloy slurry through serpentine channel pouring process

    NASA Astrophysics Data System (ADS)

    Zheng, Zhi-kai; Mao, Wei-min; Liu, Zhi-yong; Wang, Dong; Yue, Rui

    2016-05-01

    In this study, a serpentine channel pouring process was used to prepare the semi-solid Al-20%Si alloy slurry and refine primary Si grains in the alloy. The effects of the pouring temperature, number of curves in the serpentine channel, and material of the serpentine channel on the size of primary Si grains in the semi-solid Al-20%Si alloy slurry were investigated. The results showed that the pouring temperature, number of the curves, and material of the channel strongly affected the size and distribution of the primary Si grains. The pouring temperature exerted the strongest effect, followed by the number of the curves and then the material of the channel. Under experimental conditions of a four-curve copper channel and a pouring temperature of 701°C, primary Si grains in the semi-solid Al-20%Si alloy slurry were refined to the greatest extent, and the lath-like grains were changed into granular grains. Moreover, the equivalent grain diameter and the average shape coefficient of primary Si grains in the satisfactory semi-solid Al-20%Si alloy slurry were 24.4 μm and 0.89, respectively. Finally, the refinement mechanism and distribution rule of primary Si grains in the slurry prepared through the serpentine channel pouring process were analyzed and discussed.

  19. Understanding the mechanisms of Si-K-Ca glass alteration using silicon isotopes

    NASA Astrophysics Data System (ADS)

    Verney-Carron, Aurélie; Sessegolo, Loryelle; Saheb, Mandana; Valle, Nathalie; Ausset, Patrick; Losno, Rémi; Mangin, Denis; Lombardo, Tiziana; Chabas, Anne; Loisel, Claudine

    2017-04-01

    It is important to understand glass alteration mechanisms and to determine their associated kinetics in order to develop models able to predict the alteration of nuclear, basaltic or archaeological glasses. Recent studies revealed that the respective contributions of diffusion, dissolution, condensation and precipitation processes in alteration are still a matter for debate. In this work, the alteration of a medieval-type glass (Si-K-Ca) was investigated as it presents a specific composition (without B and with low Al). Experiments were performed using a dynamic device, at 30 °C, at pH 8 and 9 and during 1 month in order to simulate alteration in contact with water (rainfall or condensation). The solution was doped in 29Si to discriminate between the silicon from glass (mainly 28Si) and from solution. The results showed that the external region of the alteration layer is devoid of modifier cations (K, Ca) and presents a 29Si/28Si ratio close to the solution one. This excludes that the alteration layer is a glass skeleton and highlights a progressive hydrolysis/condensation process, even if non-hydrolyzed silica tetrahedra could remain when the Si isotopic equilibrium is not reached. The internal zone appears to be gradually depleted in modifier cations and partly enriched in 29Si, but the thickness of this zone is overestimated using SEM-EDS and SIMS techniques. Even if in these experiments the dissolution mechanism is favored, the contribution of interdiffusion cannot be neglected to explain the weathering of ancient stained glassed windows in the atmosphere. The respective contribution of diffusion and dissolution are also discussed as a function of glass composition and surface texture, as well as of experimental conditions (alkaline pH, renewal of the solution).

  20. Recycling of Al-Si die casting scraps for solar Si feedstock

    NASA Astrophysics Data System (ADS)

    Seo, Kum-Hee; Jeon, Je-Beom; Youn, Ji-Won; Kim, Suk Jun; Kim, Ki-Young

    2016-05-01

    Recycling of aluminum die-casting scraps for solar-grade silicon (SOG-Si) feedstock was performed successfully. 3 N purity Si was extracted from A383 die-casting scrap by using the combined process of solvent refining and an advanced centrifugal separation technique. The efficiency of separating Si from scrap alloys depended on both impurity level of scraps and the starting temperature of centrifugation. Impurities in melt and processing temperature governed the microstructure of the primary Si. The purity of Si extracted from the scrap melt was 99.963%, which was comparable to that of Si extracted from a commercial Al-30 wt% Si alloy, 99.980%. The initial purity of the scrap was 2.2% lower than that of the commercial alloy. This result confirmed that die-casting scrap is a potential source of high-purity Si for solar cells.

  1. Interdiffusion in Diffusion Couples: U-Mo v. Al and Al-Si

    SciTech Connect

    D. D. Keiser, Jr.; E. Perez; B. Yao; Y. H. Sohn

    2009-11-01

    Interdiffusion and microstructural development in the U-Mo-Al system was examined using solid-tosolid diffusion couples consisting of U-7wt.%Mo, U-10wt.%Mo and U-12wt.%Mo vs. pure Al, annealed at 600°C for 24 hours. The influence of Si alloying addition (up to 5 wt.%) in Al on the interdiffusion microstructural development was also examined using solid-to-solid diffusion couples consisting of U-7wt.%Mo, U-10wt.%Mo and U-12wt.%Mo vs. pure Al, Al-2wt.%Si, and Al-5wt.%Si annealed at 550°C up to 20 hours. Scanning electron microscopy (SEM), transmission electron microscopy (TEM) and electron probe microanalysis (EPMA) were employed to examine the development of a very fine multiphase intermetallic layer. In ternary U-Mo-Al diffusion couples annealed at 600°C for 24 hours, interdiffusion microstructure varied of finely dispersed UAl3, UAl4, U6Mo4Al43, and UMo2Al20 phases while the average composition throughout the interdiffusion zone remained constant at approximately 80 at.% Al. Interdiffusion microstructure observed by SEM/TEM analyses and diffusion paths drawn from concentration profiles determined by EPMA appear to deviate from the assumption of “local thermodynamic equilibrium,” and suggest that interdiffusion occurs via supersaturated UAl4 followed by equilibrium transformation into UAl3, U6Mo4Al43, UAl4 and UMo2Al20 phases. Similar observation was made for U-Mo vs. Al diffusion couples annealed at 550°C. The addition of Si (up to 5 wt.%) in Al significantly reduced the thickness of the intermetallic layer by changing the constituent phases of the interdiffusion zone developed in U-Mo vs. Al-Si diffusion couples. Specifically, the formation of (U,Mo)(Al,Si)3 with relatively large solubility for Mo and Si, along with UMo2Al20 phases was observed along with disappearance of U6Mo4Al43 and UAl4 phases. Simplified understanding based on U-Al, U-Si, and Mo-Si binary phase diagrams is discussed in the light of the beneficial effect of Si alloying addition.

  2. (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

    SciTech Connect

    Chen, Bijuan; Deng, Zheng; Li, Wenmin; Gao, Moran; Zhao, Guoqiang; Yu, Shuang; Wang, Xiancheng; Liu, Qingqing; Li, Zhi; Jin, Changqing

    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 of less than 24 Oe.

  3. Stability of phase H in the MgSiO4H2-AlOOH-SiO2 system

    NASA Astrophysics Data System (ADS)

    Panero, Wendy R.; Caracas, Razvan

    2017-04-01

    The newly described hydrous phase H, MgSiO4H2, is stable to the pressures and temperatures of the Earth's lower mantle, suggesting that the Earth's lower mantle may participate in the cycling of water. We present the results of ab initio calculations on the stability of this phase within the phase H-δAlOOH-SiO2 system between 20 and 60 GPa, exploring the wide pressure- and temperature stability field of this mineral. We find that hydrogen in phase H is bonded in a single well at all pressures, and only the pure phase results in pressure-induced symmetrization, while the solid solution maintains asymmetric bonding to high pressure. Substitutions on octahedral sites are locally charge-balanced by H. Furthermore, small amounts of Al + H in SiO2 stabilize the CaCl2-structure of SiO2 to pressures as low as 20 GPa while phase H and δAlOOH form an ideal mixture at all pressures considered. The resulting structure is stable relative to the anhydrous assemblage of the Earth's lower mantle by 16-19 kJ/mol. In alumina-rich phase H this increases the stability of the mineral by ∼800 K relative to the pure substance, making it potentially stable under lower mantle temperatures along typical geotherms.

  4. B Removal by Zr Addition in Electromagnetic Solidification Refinement of Si with Si-Al Melt

    NASA Astrophysics Data System (ADS)

    Lei, Yun; Ma, Wenhui; Sun, Luen; Dai, Yongnian; Morita, Kazuki

    2016-02-01

    This study investigated a new process of enhancing B removal by adding small amounts of Zr in the electromagnetic solidification refinement of Si with Si-Al melt. B in Si was removed by as much as 97.2 pct by adding less than 1057 ppma Zr, and the added Zr was removed by as much as 99.7 pct. In addition, Zr is more effective in enhancing B removal than Ti in the same electromagnetic solidification refining process.

  5. Structure Determination of Ca 3HfSi 2O 9 and Ca 3ZrSi 2O 9 from Powder Diffraction

    NASA Astrophysics Data System (ADS)

    Plaister, J. R.; Jansen, J.; de Graaff, R. A. G.; IJdo, D. J. W.

    1995-03-01

    The crystal structure of Ca 3HfSi 2O 9 has been determined from X-ray powder diffraction data using a recently developed software package in order to find individual intensities from overlapping reflections. The Hf atoms were found from the Patterson map, while Ca atoms were found in a subsequent heavy atom Fourier map. The other atoms were determined by trial and error using the Rietveld method. The atomic parameters for Ca 3ZrSi 2O 9 were determined from neutron powder diffraction data with the structure of Ca 3HfSi 2O 9 use as the trial model. Ca 3HfSi 2O 9, a = 7.3517(4)Å, b = 10.1489(11) Å, c = 10.4319(12)Å, β = 91.(184(7)°, P2 1/ c, and Z = 4; Ca 3ZrSi 2O 9, a = 7.3603(1)Å, b = 10.1766(3) Å, c = 10.4514(3) Å, β = 90.875(2)°, P2 1/ c, and Z = 4. The structure contains ribbons of edge-sharing octahedra parallel to [100]. The structure of these compounds is nearly the same as that of BeY 2O 4, substituting Si 2O groups for 2 Be and doubling the a-axis. The mineral cuspidine (Ca 4Si 2O 7(F,OH) 2) has a very similar structure as well.

  6. The initial 41Ca/40Ca ratios in two type A Ca-Al-rich inclusions: Implications for the origin of short-lived 41Ca

    NASA Astrophysics Data System (ADS)

    Liu, Ming-Chang

    2017-03-01

    This paper reports new 41Ca-41K isotopic data for two Type A CAIs, NWA 3118 #1Nb (Compact Type A) and Vigarano 3138 F8 (Fluffy Type A), from reduced CV3 chondrites. The NWA CAI is found to have carried live 41Ca at the level of (4.6 ± 1.9) ×10-9 , consistent with the proposed Solar System initial 41Ca /40Ca = 4.2 ×10-9 by Liu et al. (2012a). On the other hand, the Vigarano CAI does not have resolvable radiogenic 41K excesses that can be attributed to the decay of 41Ca. Combined with the 26Al data that have been reported for these two CAIs, we infer that the 41Ca distribution was not homogeneous when 26Al was widespread at the canonical level of 26Al /27Al = 5.2 ×10-5 . Such a 41Ca heterogeneity can be understood under two astrophysical contexts: in situ charged particle irradiation by the protoSun in the solar nebula that had inherited some baseline 10Be abundance from the molecular cloud, and Solar System formation in a molecular cloud enriched in 26Al and 41Ca contaminated by massive star winds. That said, more high quality 41Ca data are still needed to better understand the origin of this radionuclide.

  7. Phase diagrams of Al-Si and Al-Ge systems

    NASA Astrophysics Data System (ADS)

    Kagaya, Hiroko-Matsuo; Imazawa, Kazumoto; Sato, Mayumi; Soma, Toshinobu

    1998-03-01

    Considering the contributions from the band and local mode frequencies, the temperature- and pressure-dependent mean-square displacement for Al-Si and Al-Ge solid solutions is quantitatively calculated to be similar to that for matrix Al. Then, the concentration-dependence of the Debye temperature at higher and lower temperatures is estimated, the pressure effect on the solidus curve is presented by applying Lindeman's melting law to the Al-Si and Al-Ge alloy systems. The solidus curve obtained increases as a function of the pressure, and is in good agreement with the observed tendency for these solid solutions.

  8. Small Shear Modulus of Cubic CaSiO3 Perovskite

    NASA Astrophysics Data System (ADS)

    Kawai, K.; Tsuchiya, T.

    2014-12-01

    Ca-perovskite (CaPv) is considered to be one of the most abundant minerals in the Earth's lower mantle (LM) and was suggested to have distinctly larger shear modulus than Bd (MgPv) from static calculations and mean-field theory (Karki and Stixrude 1999; Stixrude et al. 2007). In this study the elasticity of cubic CaPv is reinvestigated using density functional constant-temperature first principles molecular dynamics simulations with strict calculation conditions. First, we computed the stable structure of CaPv and found that the cubic phase is more stable than the tetragonal and orthorhombic in the LM P,T condition. The thermal equation of state of CaPv was analyzed using the MD data set, which indicates its thermal properties including Gruneisen parameter quite similar to those of Bd. Along the adiabatic temperature, CaPv was found to have higher density than the PREM and 12.5% iron-bearing Bd. Next, we calculated elastic constants of cubic CaPv. Our new results clearly demonstrate that cubic CaPv does not have anomalously large shear modulus suggested by previous calculations with a small computation cell. This is because the cell applied in the previous studies is too small to allow the rotational phonon motion of SiO6 octahedra related to the zone boundary optic phonon instability. Acoustic wave velocities were finally determined from the elastic moduli, indicating no significant differences in velocities between CaPv and iron-bearing MgPv.

  9. (Si){sub 5-2y}(AlP){sub y} alloys assembled on Si(100) from Al-P-Si{sub 3} building units

    SciTech Connect

    Watkins, T.; Chizmeshya, A. V. G.; Kouvetakis, J.; Jiang, L.; Xu, C.; Smith, D. J.; Menendez, J.

    2012-01-09

    An original class of IV/III-V hybrid (Si){sub 5-2y}(AlP){sub y}/Si(100) semiconductors have been produced via tailored interactions of molecular P(SiH{sub 3}){sub 3} and atomic Al yielding tetrahedral ''Al-P-Si{sub 3}'' building blocks. Extensive structural, optical, and vibrational characterization corroborates that these units condense to assemble single-phase, monocrystalline alloys containing 60%-90% Si (y = 0.3-1.0) as nearly defect-free layers lattice-matched to Si. Spectroscopic ellipsometry and density functional theory band structure calculations indicate mild compositional bowing of the band gaps, suggesting that the tuning needed for optoelectronic applications should be feasible.

  10. Superconductivity in Al-substituted Ba8Si46 clathrates

    NASA Astrophysics Data System (ADS)

    Li, Yang; Garcia, Jose; Chen, Ning; Liu, Lihua; Li, Feng; Wei, Yuping; Bi, Shanli; Cao, Guohui; Feng, Z. S.

    2013-05-01

    There is a great deal of interest vested in the superconductivity of Si clathrate compounds with sp3 network, in which the structure is dominated by strong covalent bonds among silicon atoms, rather than the metallic bonding that is more typical of traditional superconductors. A joint experimental and theoretical investigation of superconductivity in Al-substituted type-I silicon clathrates is reported. Samples of the general formula Ba8Si46-xAlx, with different values of x were prepared. With an increase in the Al composition, the superconducting transition temperature TC was observed to decrease systematically. The resistivity measurement revealed that Ba8Si42Al4 is superconductive with transition temperature at TC = 5.5 K. The magnetic measurements showed that the bulk superconducting Ba8Si42Al4 is a type II superconductor. For x = 6 sample Ba8Si40Al6, the superconducting transition was observed down to TC = 4.7 K which pointed to a strong suppression of superconductivity with increasing Al content as compared with TC = 8 K for Ba8Si46. Suppression of superconductivity can be attributed primarily to a decrease in the density of states at the Fermi level, caused by reduced integrity of the sp3 hybridized networks as well as the lowering of carrier concentration. These results corroborated by first-principles calculations showed that Al substitution results in a large decrease of the electronic density of states at the Fermi level, which also explains the decreased superconducting critical temperature within the BCS framework. The work provided a comprehensive understanding of the doping effect on superconductivity of clathrates.

  11. Dissolution of Si in Molten Al with Gas Injection

    NASA Astrophysics Data System (ADS)

    Seyed Ahmadi, Mehran

    Silicon is an essential component of many aluminum alloys, as it imparts a range of desirable characteristics. However, there are considerable practical difficulties in dissolving solid Si in molten Al, because the dissolution process is slow, resulting in material and energy losses. It is thus essential to examine Si dissolution in molten Al, to identify means of accelerating the process. This thesis presents an experimental study of the effect of Si purity, bath temperature, fluid flow conditions, and gas stirring on the dissolution of Si in molten Al, plus the results of physical and numerical modeling of the flow to corroborate the experimental results. The dissolution experiments were conducted in a revolving liquid metal tank to generate a bulk velocity, and gas was introduced into the melt using top lance injection. Cylindrical Si specimens were immersed into molten Al for fixed durations, and upon removal the dissolved Si was measured. The shape and trajectory of injected bubbles were examined by means of auxiliary water experiments and video recordings of the molten Al free surface. The gas-agitated liquid was simulated using the commercial software FLOW-3D. The simulation results provide insights into bubble dynamics and offer estimates of the fluctuating velocities within the Al bath. The experimental results indicate that the dissolution rate of Si increases in tandem with the melt temperature and bulk velocity. A higher bath temperature increases the solubility of Si at the solid/liquid interface, resulting in a greater driving force for mass transfer, and a higher liquid velocity decreases the resistance to mass transfer via a thinner mass boundary layer. Impurities (with lower diffusion coefficients) in the form of inclusions obstruct the dissolution of the Si main matrix. Finally, dissolution rate enhancement was observed by gas agitation. It is postulated that the bubble-induced fluctuating velocities disturb the mass boundary layer, which

  12. The roles of Eu during the growth of eutectic Si in Al-Si alloys

    PubMed Central

    Li, Jiehua; Hage, Fredrik; Wiessner, Manfred; Romaner, Lorenz; Scheiber, Daniel; Sartory, Bernhard; Ramasse, Quentin; Schumacher, Peter

    2015-01-01

    Controlling the growth of eutectic Si and thereby modifying the eutectic Si from flake-like to fibrous is a key factor in improving the properties of Al-Si alloys. To date, it is generally accepted that the impurity-induced twinning (IIT) mechanism and the twin plane re-entrant edge (TPRE) mechanism as well as poisoning of the TPRE mechanism are valid under certain conditions. However, IIT, TPRE or poisoning of the TPRE mechanism cannot be used to interpret all observations. Here, we report an atomic-scale experimental and theoretical investigation on the roles of Eu during the growth of eutectic Si in Al-Si alloys. Both experimental and theoretical investigations reveal three different roles: (i) the adsorption at the intersection of Si facets, inducing IIT mechanism, (ii) the adsorption at the twin plane re-entrant edge, inducing TPRE mechanism or poisoning of the TPRE mechanism, and (iii) the segregation ahead of the growing Si twins, inducing a solute entrainment within eutectic Si. This investigation not only demonstrates a direct experimental support to the well-accepted poisoning of the TPRE and IIT mechanisms, but also provides a full picture about the roles of Eu atoms during the growth of eutectic Si, including the solute entrainment within eutectic Si. PMID:26328541

  13. The roles of Eu during the growth of eutectic Si in Al-Si alloys.

    PubMed

    Li, Jiehua; Hage, Fredrik; Wiessner, Manfred; Romaner, Lorenz; Scheiber, Daniel; Sartory, Bernhard; Ramasse, Quentin; Schumacher, Peter

    2015-09-02

    Controlling the growth of eutectic Si and thereby modifying the eutectic Si from flake-like to fibrous is a key factor in improving the properties of Al-Si alloys. To date, it is generally accepted that the impurity-induced twinning (IIT) mechanism and the twin plane re-entrant edge (TPRE) mechanism as well as poisoning of the TPRE mechanism are valid under certain conditions. However, IIT, TPRE or poisoning of the TPRE mechanism cannot be used to interpret all observations. Here, we report an atomic-scale experimental and theoretical investigation on the roles of Eu during the growth of eutectic Si in Al-Si alloys. Both experimental and theoretical investigations reveal three different roles: (i) the adsorption at the intersection of Si facets, inducing IIT mechanism, (ii) the adsorption at the twin plane re-entrant edge, inducing TPRE mechanism or poisoning of the TPRE mechanism, and (iii) the segregation ahead of the growing Si twins, inducing a solute entrainment within eutectic Si. This investigation not only demonstrates a direct experimental support to the well-accepted poisoning of the TPRE and IIT mechanisms, but also provides a full picture about the roles of Eu atoms during the growth of eutectic Si, including the solute entrainment within eutectic Si.

  14. Roll casting of Al-SiCp strip

    NASA Astrophysics Data System (ADS)

    Haga, Toshio

    2016-10-01

    A steel roll with a devised cooling water channel for a vertical type high speed twin roll caster was devised, and was used for strip casting of Al-30vol%SiCp. In the proposed roll caster, the thickness of the wall from the water cooling channel to the roll surface was 4 mm to obtain good cooling conditions. The water cooling channel was machined in the roll core in the lateral direction to prevent convex deformation of the roll. The concave thickness distribution of the strip was improved by the proposed roll. The Al-30vol%SiCp strip had a uniform thickness distribution and could be cast at a speed of 60 m/min. The SiC particles were found to be uniformly distributed, with no obvious agglomeration. The eutectic Si particles were globular and smaller than 3 µm due to the rapid solidification.

  15. STM Study of Al CVD Precursors on Si(100)

    NASA Astrophysics Data System (ADS)

    Mitsui, Toshiyuki; Hill, Eric; Curtis, Robert; Ganz, Eric

    1998-03-01

    Dimethylethylamine alane (DMEAA) and dimethyaluminum hydride (DMAH) have been used for chemical vapor deposition aluminum film growth on semiconductor substrates. We investigate the properties of these Al precursors on the Si(100) surface in ultra high vacuum. We use high speed scanning tunneling microscopy to characterize the precursor molecules and fragments of the molecules on the Si(100) surface over a wide range of substrate temperatures. We have observed DMEAA molecules and fragments after dosing the Si(100) surface at temperatures up to 300^0C. Al deposition at low coverages is not observed until temperatures above 300^0C. We will also discuss the initial stages of growth resulting from DMAH deposition and fragmentation on the Si(100) surface.

  16. Molecular dynamics determination of the shear viscosity, self-diffusivity of Ca, Mg, Si, Al and O, and EOS of 1-bar eutectic composition (An42Di58) liquid at 1500-4000 K and 0-80 GPa: Comparison with laboratory data

    NASA Astrophysics Data System (ADS)

    Spera, F. J.; Martin, G. B.; Nevins, D.; Ghiorso, M. S.

    2009-12-01

    We have performed effective pair-potential Molecular Dynamics (MD) simulations on liquid of 1 bar eutectic composition in the system CaMgSi2O6-CaAl2Si2O8 (An42-Di58) using the Matsui (1998) NCMAS pair-potential model. Over 90 P-T pairs were calculated between 1500-4500 K and 0-80 GPa along 14 isochores (2200-4300 kg/m3). 10,000 atom trajectories were followed for 50 ps using 1 fs timestep in the NEV ensemble. The self-diffusivity was calculated for each atom at each state point. Diffusivities for all species ranged from 10-8 to 10-11 m2/s, increasing with temperature and either increasing or decreasing with pressure depending on atom type and pressure range. Diffusivities were fit to a modified Arrhenius equation at all T and P>2 GPa: D(P,T)=D0e-[Ea+(v0+v1P)P]/RT. The values of Ea, v0, and v1 for O, Si, Mg, Al, and Ca, are: 98 kJ/mol, 1.3 cm3/mol, -0.001 cm3/mol GPa; 101 kJ/mol, 1.1 cm3/mol, -0.00028 cm3/mol GPa; 73.8 kJ/mol, 1.8 cm3/mol, -0.00012 cm3/mol GPa; 76.7 kJ/mol, 2.4 cm3/mol, -0.00018 cm3/mol GPa; 89.9 kJ/mol, 1.2 cm3/mol, -0.00034 cm3/mol GPa, respectively. At low pressure (~0-1.5 GPa) the activation volume for diffusion is negative for O and Si at the low T end of the range (1500-4000 K) investigated. This accords well with experiments. The negative activation volume for self-diffusion implies that the diffusivity increases as pressure increases along an isotherm in this portion of P-T space. Tinker et al. (2003) report activation energies of 215 kJ/mol and 217 kJ/mol and v0 = -2.1 and -2.3 cm3/mol for O and Si respectively for this composition, which are somewhat higher than those computed here. Viscosity was calculated using the Green-Kubo method for longer runs of 2-10 ns for select state points from 1500-4000 K and 0-20 GPa. Values range from ~5x10-3 to ~3x10-2 Pa s. Viscosity values were fit to the modified Arrhenius expression resulting in the parameters: η0=1.79x10-4 Pa s, Ea = 69 kJ/mol, v0=2.66 cm3/mol, and v1 = -0.054 cm3/mol GPa

  17. Computer simulation of CaSiO3 glass under compression: correlation between Si-Si pair radial distribution function and intermediate range order structure

    NASA Astrophysics Data System (ADS)

    Lan, Mai Thi; Thuy Duong, Tran; Iitaka, Toshiaki; Van Hong, Nguyen

    2017-06-01

    The structural organization of CaSiO3 glass at 600 K and under pressure of 0-100 GPa is investigated by molecular dynamics simulation (MDS). Results show that the atomic structure of CaSiO3 comprises SiO n and CaO m units considered as basic structural polyhedra. At low pressure, most of the basic structural polyhedra are SiO4, CaO5, CaO6 and CaO7. At high pressure most of the basic structural polyhedra are SiO5, SiO6 and CaO9, CaO10 and CaO11. The distribution of basic structural polyhedra is not uniform resulting in formation of Ca-rich and Si-rich regions. The distribution of SiO4, SiO5 and SiO6 polyhedra is also not uniform, but it tends to form SiO4-, SiO5-, and SiO6-clusters. For the Si-O network, under compression there is a gradual transition from the tetrahedral network (SiO4) to the octahedral network (SiO6) via SiO5 polyhedra. The SiO5-clusters are the same as immediate-phase in the transformation process. The size and shape of SiO4 tetrahedra change strongly under compression. While the size of SiO5 and SiO6 has also changed significantly, but the shape is almost unchanged under compression. The SiO n polyhedra can connect to each other via one common oxygen ion (corner-sharing bond), two common oxygen ions (edge-sharing bond) or three common oxygen ions (face-sharing bond). The Si-Si bond length in corner-sharing bonds is much longer than the ones in edge-sharing and face-sharing bonds. The change of intermediate range order (IRO) structure under compression relating to edge- and face-sharing bonds amongst SiO n at high pressure is the origin of the first peak splitting of the radial distribution functions of Si-Si pair. Under compression, the number of non-bridging oxygen (NBO) decreases. This makes the Si-O network more polymerized. At low pressure, most of the Ca2+ ions incorporate into the Si-O network via NBOs. At high pressure, the amount of NBO decreases, Ca2+ ions mainly incorporate into the Si-O network via bridging oxygen (BO) that

  18. Radiation-stimulated diffusion in Al-Si alloys

    NASA Astrophysics Data System (ADS)

    Kiv, A.; Fuks, D.; Munitz, A.; Zenou, V.; Moiseenko, N.

    A di-vacancy low-temperature diffusion is proposed to explain diffusion-controlled processes in Al-Si alloys responsible for neutron-induced silicon precipitation. Ab initio calculations of potential barriers for Si atom hopping in aluminium lattice showed that in the case of di-vacancy diffusion, they are small compared with that of mono-vacancy diffusion. The low temperature diffusivity of mono-vacancies is too small to account for the measured Si diffusivities in aluminium. The dependencies of radiation-stimulated diffusion on the neutron flux and on the temperature are obtained and can be used for the experimental verification of the developed model.

  19. Consolidation of cryomilled Al-Si using spark plasma sintering

    NASA Astrophysics Data System (ADS)

    Milligan, J.; Gauvin, R.; Brochu, M.

    2013-07-01

    Cryomilled eutectic aluminum-12% silicon powder was sintered using spark plasma sintering (SPS) to create bulk compacts. The cryomilling serves to break up and disperse the eutectic phase in the powder to create a well-distributed Si phase throughout the matrix and to modify the morphology of the Si phase from plate-like to spherical, whilst refining the aluminium grain size to the nanometric level. The effects of different sintering times and temperatures using SPS on the densification of the powder, the aluminium grain size evolution, the growth of the Si phase and the morphology change of the Si phase were investigated. The compacts were analysed using X-ray diffraction, scanning electron microscopy and optical microscopy. The initial stages of densification appear to be highly dependent on the yield strength of the powder. An estimate of the temperature gradient seen in the powder bed was made and calculated to be near 200 °C at the highest point. The Al and Si phase growth was investigated and it was observed that the Si coarsening rate is increased due to the increased volume of grain boundaries. As the Si coarsens, any pinning effect on the Al grains is lost, resulting in a highly unstable microstructure that coarsens rapidly.

  20. Characteristics of Al-Si-Mg Reinforced SiC Composites Produced by Stir Casting Route

    NASA Astrophysics Data System (ADS)

    Zulfia, A.; Zhakiah, T.; Dhaneswara, D.; Sutopo

    2017-05-01

    Al-Si-Mg alloy that is strengthened by silicon carbide particles has the potential to have excellent mechanical properties with light weight. In this study, metal matrix composites reinforced silicon carbide from 2 vf-% to 15 vf-% and magnesium amounted to 10 wt-% as an external dopant were fabricated by stir casting route. The magnesium was added to promote the wetting between Al matrix and reinforced SiC. The process involved SiC blended inside the molten Al by a stirrer with a rotational speed of 500 rpm at 800 °C for 2 minutes and degassed with Ar gas for 4 minutes to remove all of the gas content in the molten Al. The molten composite was then cast into the plate and tensile test sample molds. The effect of SiC addition on the mechanical properties and microstructure of the composites was investigated. The result showed that the optimum tensile strength was reached at 8 vf-% SiC with the value of 175 MPa, while the elongation was 9.1%. The maximum hardness and wear rate were achieved at 10 vf-% SiC with the values of 57 HRB and 0.0022 mm3/m, respectively. Such increase was related to the microstructures dominated by the presence of Chinese script, primary and eutectic Mg2Si which were contributed to the mechanical properties of the composites.

  1. Aluminian Low-Ca Pyroxene in a Ca-Al-rich Chondrule from the Semarkona Meteorite

    NASA Technical Reports Server (NTRS)

    Rubin, Alan E.

    2006-01-01

    A Ca-AI-rich chondrule (labeled G7) from the Semarkona LL3.0 ordinary chondrite (OC) consists of 73 vol% glassy mesostasis, 22 vol% skeletal forsterite. 3 vol% fassaite (i.e., Al-Ti diopside), and 2 vol% Al-rich, low-Ca pyroxene. The latter phase, which contains up to 16.3 wt% A1203, is among the most AI-rich, low-Ca pyroxene grains ever reported. It is inferred that 20% of the tetrahedral sites and 13% of the octahedral sites in this grain are occupied by Al. Approximately parallel optical extinction implies that the Al-rich, low-Ca pyroxene grains are probably orthorhombic, consistent with literature data that show that A1203 stabilizes the orthoenstatite structure relative to protoenstatite at low pressure. The order of crystallization in the chondrule was forsterite, AI-rich low-Ca pyroxene, and fassaite; the residual liquid vitrified during chondrule quenching. Phase relationships indicate that, for a G7-composition liquid at equilibrium, spinel and anorthite should crystallize early and orthopyroxene should not crystallize at all. The presence of AI-rich orthopyroxene in G7 is due mainly to the kinetic failure of anorthite to crystallize; this failure was caused by quenching of the G7 precursor droplet. Aluminum preferentially enters the relatively large B tetrahedra of orthopyroxene; because only one tetrahedral size occurs in fassaite, this phase contains higher mean concentrations of Al2O3 than the Al-rich orthopyroxene (17.8 and 14.7 wt%, respectively). Chondrule G7 may have formed by remelting an amoeboid olivine inclusion that entered the OC region of the solar nebula during an episode of chondrule formation.

  2. Layer by layer etching of LaAlSiOx

    NASA Astrophysics Data System (ADS)

    Hayashi, Hisataka

    2016-09-01

    In order to fabricate a gate transistor with high-k oxide materials, removal of high-k oxide films after gate electrode etching is necessary for the formation of ohmic contacts on source and drain regions. It is crucial that the removal process of high-k oxide film by dry etching is highly selective to and low in damage to the Si substrate in order to avoid the degradation of device performances. Sasaki et al. have achieved a high LaAlSiOx-to-Si selectivity of 6.7 using C4F8/Ar/H2 plasma. In the LaAlSiOx etching process using C4F8/Ar/H2 plasma, H2 plays a role in breaking the metal-oxygen bond to enhance etching of LaAlSiOx. Based on this result, the process was decomposed into two steps: a surface modification step using H2 plasma to break the metal-oxygen bond, and a removal step using C4F8/Ar plasma. A sequential layer by layer etching could realize low damage etching, similar to atomic layer etching. Therefore, a sequential LaAlSiOx etching process using a H2 surface modification step followed by a removal step using C4F8/Ar plasma is investigated. Experiments were carried out on 300 mm diameter wafers using the 100/13.56 MHz dual frequency superimposed capacitively coupled plasma reactor. The etching gases were H2 and C4F8/Ar for each step, respectively. Plasma process conditions were 100 MHz power of 1000 W (plasma generation), 13.56MHz power varied from 0 W to 300W (ion energy control). The substrate temperature was 40 °C. 15nm thick LaAlSiOx blanket film was used for evaluation of the etched amount. Film thickness was measured by X-ray fluorescent analysis thickness meter before and after plasma exposure. The etched amount of LaAlSiOx by the C4F8/Ar plasma step doubled with H2 modification. It is confirmed that when the C4F8/Ar plasma treatment time is sufficient to remove the surface modification layer, a self-limiting reaction is realized. Furthermore, it is confirmed that the etched amount per step can be controlled by control of the ion energy of H2

  3. Crystal structure of the NaCa(Fe{sup 2+}, Al, Mn){sub 5}[Si{sub 8}O{sub 19}(OH)](OH){sub 7} {center_dot} 5H{sub 2}O mineral: A new representative of the palygorskite group

    SciTech Connect

    Rastsvetaeva, R. K. Aksenov, S. M.; Verin, I. A.

    2012-01-15

    A specimen of a new representative of the palygorskite-sepiolite family from Aris phonolite (Namibia) is studied by single-crystal X-ray diffraction. The parameters of the triclinic (pseudomonoclinic) unit cell are as follows: a = 5.2527(2) Angstrom-Sign , b = 17.901(1) Angstrom-Sign , c = 13.727(1) Angstrom-Sign , {alpha} = 90.018(3) Degree-Sign , {beta} = 97.278(4) Degree-Sign , and {gamma} = 89.952(3) Degree-Sign . The structure is solved by the direct methods in space group P1-bar and refined to R = 5.5% for 4168 |F| > 7{sigma}(F) with consideration for twinning by the plane perpendicular to y (the ratio of the twin components is 0.52: 0.48). The crystal chemical formula (Z = 1) is (Na{sub 1.6}K{sub 0.2}Ca{sub 0.2})[Ca{sub 2}(Fe{sub 3.6}{sup 2+}Al{sub 1.6}Mn{sub 0.8})(OH){sub 9}(H{sub 2}O){sub 2}][(Fe{sub 3.9}{sup 2+}Ti{sub 0.1})(OH){sub 5} (H{sub 2}O){sub 2}][Si{sub 16}O{sub 38}(OH){sub 2}] {center_dot} 6H{sub 2}O, where the compositions of two ribbons of octahedra and a layer of Si tetrahedra are enclosed in brackets. A number of specific chemical, symmetrical, and structural features distinguish this mineral from other minerals of this family, in particular, from tuperssuatsiaite and kalifersite, which are iron-containing representatives with close unit cell parameters.

  4. Trace element effects on Al-SiC interfaces

    SciTech Connect

    Kannikeswaran, K.; Lin, R.Y.

    1987-09-01

    This paper examines the characteristics of the interfaces between aluminum and silicon carbide, with an emphasis on the effect of impurity elements in a commercial Al 1100 alloy. It appears that the silicon content in the 1100 alloy slows down the interfacial reaction. Thermodynamic considerations have revealed that, although Al4C3 may not always be one of the reaction products, SiC surfaces will always be modified in contact with aluminum. 9 references.

  5. The improved mechanical properties of β-CaSiO3 bioceramics with Si3N4 addition.

    PubMed

    Pan, Ying; Zuo, Kaihui; Yao, Dongxu; Yin, Jinwei; Xin, Yunchuan; Xia, Yongfeng; Liang, Hanqin; Zeng, Yuping

    2015-03-01

    The motivation of this study is to investigate the effect of Si3N4 addition on the sinterability of β-CaSiO3 ceramics. β-CaSiO3 ceramics with different content of Si3N4 were prepared at the sintering temperature ranging from 1000°C to 1150°C. The results showed that Si3N4 can be successfully used as sintering additive by being oxidized to form SiO2. The β-CaSiO3 ceramics with 3wt% Si3N4 sintered at 1100°C revealed flexural strength, hardness and fracture toughness of 157.2MPa, 4.4GPa and 2.3MPam(1/2) respectively, which was much higher than that of pure β-CaSiO3 ceramics (41.1MPa, 1.0GPa, 1.1MPam(1/2)). XRD analysis and SEM observation indicated that the main phase maintained to be β-phase after sintering. Copyright © 2015 Elsevier Ltd. All rights reserved.

  6. Synthesis of Al₂Ca Dispersoids by Powder Metallurgy Using a Mg-Al Alloy and CaO Particles.

    PubMed

    Fujita, Junji; Umeda, Junko; Kondoh, Katsuyoshi

    2017-06-28

    The elemental mixture of Mg-6 wt %Al-1 wt %Zn-0.3 wt %Mn (AZ61B) alloy powder and CaO particles was consolidated by an equal-channel angular bulk mechanical alloying (ECABMA) process to form a composite precursor. Subsequently, the precursor was subjected to a heat treatment to synthesize fine Al₂Ca particles via a solid-state reaction between the Mg-Al matrix and CaO additives. Scanning electron microscopy-energy-dispersive spectroscopy (SEM-EDS) and electron probe micro-analysis on the precursor indicated that 4.7-at % Al atoms formed a supersaturated solid solution in the α-Mg matrix. Transmission electron microscopy-EDS and X-ray diffraction analyses on the AZ61B composite precursor with 10-vol % CaO particles obtained by heat treatment confirmed that CaO additives were thermally decomposed in the Mg-Al alloy, and the solid-soluted Ca atoms diffused along the α-Mg grain boundaries. Al atoms also diffused to the grain boundaries because of attraction to the Ca atoms resulting from a strong reactivity between Al and Ca. As a result, needle-like (Mg,Al)₂Ca intermetallics were formed as intermediate precipitates in the initial reaction stage during the heat treatment. Finally, the precipitates were transformed into spherical Al₂Ca particles by the substitution of Al atoms for Mg atoms in (Mg,Al)₂Ca after a long heat treatment.

  7. Microstructure and Hot Oxidation Resistance of SiMo Ductile Cast Irons Containing Si-Mo-Al

    NASA Astrophysics Data System (ADS)

    Ibrahim, Mervat M.; Nofal, Adel; Mourad, M. M.

    2016-12-01

    SiMo ductile cast irons are used as high-temperature materials in automotive components, because they are microstructurally stable at high operating temperatures. The effect of different amounts of Si and Mo as well as the addition of 3 wt pct Al on the microstructure, high-temperature oxidation, and mechanical properties of SiMo ductile cast iron was studied. Dilatometric measurements of SiMo ductile iron exhibited obvious differences in the transformation temperature A 1 due to presence of Al and the increase of Si. The microstructure of the SiMo alloys without Al addition showed outstanding nodularity and uniform nodule distribution. However, by adding 3 wt pct Al to low Si-SiMo ductile iron, some compacted graphite was observed. The results of oxidation experiments indicated that high Si-SiMo ductile iron containing 4 and 4.9 wt pct Si had superior resistance to lower Si-SiMo and SiMo ductile iron containing 3 wt pct Al. The results showed also that with increasing Si up to 4.9 wt pct or by replacing a part of Si with 3 wt pct Al, tensile strength increased while elongation and impact toughness decreased.

  8. Microstructure and Hot Oxidation Resistance of SiMo Ductile Cast Irons Containing Si-Mo-Al

    NASA Astrophysics Data System (ADS)

    Ibrahim, Mervat M.; Nofal, Adel; Mourad, M. M.

    2017-04-01

    SiMo ductile cast irons are used as high-temperature materials in automotive components, because they are microstructurally stable at high operating temperatures. The effect of different amounts of Si and Mo as well as the addition of 3 wt pct Al on the microstructure, high-temperature oxidation, and mechanical properties of SiMo ductile cast iron was studied. Dilatometric measurements of SiMo ductile iron exhibited obvious differences in the transformation temperature A 1 due to presence of Al and the increase of Si. The microstructure of the SiMo alloys without Al addition showed outstanding nodularity and uniform nodule distribution. However, by adding 3 wt pct Al to low Si-SiMo ductile iron, some compacted graphite was observed. The results of oxidation experiments indicated that high Si-SiMo ductile iron containing 4 and 4.9 wt pct Si had superior resistance to lower Si-SiMo and SiMo ductile iron containing 3 wt pct Al. The results showed also that with increasing Si up to 4.9 wt pct or by replacing a part of Si with 3 wt pct Al, tensile strength increased while elongation and impact toughness decreased.

  9. Al-Ca and Al-Fe metal-metal composite strength, conductivity, and microstructure relationships

    SciTech Connect

    Kim, Hyong June

    2011-01-01

    Deformation processed metal-metal composites (DMMC’s) are composites formed by mechanical working (i.e., rolling, swaging, or wire drawing) of two-phase, ductile metal mixtures. Since both the matrix and reinforcing phase are ductile metals, the composites can be heavily deformed to reduce the thickness and spacing of the two phases. Recent studies have shown that heavily drawn DMMCs can achieve anomalously high strength and outstanding combinations of strength and conductivity. In this study, Al-Fe wire composite with 0.07, 0.1, and 0.2 volume fractions of Fe filaments and Al-Ca wire composite with 0.03, 0.06, and 0.09 volume fractions of Ca filaments were produced in situ, and their mechanical properties were measured as a function of deformation true strain. The Al-Fe composites displayed limited deformation of the Fe phase even at high true strains, resulting in little strengthening effect in those composites. Al-9vol%Ca wire was deformed to a deformation true strain of 13.76. The resulting Ca second-phase filaments were deformed to thicknesses on the order of one micrometer. The ultimate tensile strength increased exponentially with increasing deformation true strain, reaching a value of 197 MPa at a true strain of 13.76. This value is 2.5 times higher than the value predicted by the rule of mixtures. A quantitative relationship between UTS and deformation true strain was determined. X-ray diffraction data on transformation of Al + Ca microstructures to Al + various Al-Ca intermetallic compounds were obtained at the Advanced Photon Source at Argonne National Laboratory. Electrical conductivity was measured over a range of true strains and post-deformation heat treatment schedules.

  10. Depth of formation of CaSiO3-walstromite included in super-deep diamonds

    NASA Astrophysics Data System (ADS)

    Anzolini, C.; Angel, R. J.; Merlini, M.; Derzsi, M.; Tokár, K.; Milani, S.; Krebs, M. Y.; Brenker, F. E.; Nestola, F.; Harris, J. W.

    2016-11-01

    ;Super-deep; diamonds are thought to crystallize between 300 and 800 km depth because some of the inclusions trapped within them are considered to be the products of retrograde transformation from lower mantle or transition zone precursors. In particular, single inclusion CaSiO3-walstromite is believed to derive from CaSiO3-perovskite, although its real depth of origin has never been proven. Our aim is therefore to determine for the first time the pressure of formation of the diamond-CaSiO3-walstromite pair by ;single-inclusion elastic barometry; and to determine whether CaSiO3-walstromite derives from CaSiO3-perovskite or not. We investigated several single phases and assemblages of Ca-silicate inclusions still trapped in a diamond coming from Juina (Brazil) by in-situ analyses (single-crystal X-ray diffraction and micro-Raman spectroscopy) and we obtained a minimum entrapment pressure of 5.7 GPa (∼ 180 km) at 1500 K. However, the observed coexistence of CaSiO3-walstromite, larnite (β-Ca2SiO4) and CaSi2O5-titanite in one multiphase inclusion within the same diamond indicates that the sample investigated is sub-lithospheric with entrapment pressure between 9.5 and 11.5 GPa at 1500 K, based on experimentally-determined phase equilibria. In addition, thermodynamic calculations suggested that, within a diamond, single inclusions of CaSiO3-walstromite cannot derive from CaSiO3-perovskite, unless the diamond around the inclusion expands by 30% in volume.

  11. Validation of Predicted Precipitate Compositions in Al-Si-Ge

    SciTech Connect

    Dracup, B; Turchi, P A; Radmilovic, V; Dahmen, U; Morris, Jr., J W

    2004-04-21

    Aged alloys of Al-0.5Si-0.5Ge (at.%) contain diamond cubic (A4) precipitates in a dispersion that is much finer than is found in alloys with Si or Ge alone. To help understand this aging behavior, the present work was undertaken to determine alloy composition as a function of aging temperature. The composition was estimated theoretically using a CALPHAD approach, and measured experimentally with energy dispersive spectroscopy (EDS) in a high-resolution electron microscope. Theory and experiment are in reasonable agreement. As the aging temperature rises, the precipitates become enriched in Si, changing from 50 at. % in the low-temperature limit to about 80 at.% Si as temperature approaches 433 C, the high-temperature limit of the precipitate field.

  12. Unambiguously distinguishing Si[3Si,1Al] and Si[3Si,1OH] stuctural units in zeolite by 1H/29Si/27Al triple resonance solid state NMR spectroscopy.

    PubMed

    Luo, Qing; Yang, Jun; Hu, Wei; Zhang, Mingjin; Yue, Yong; Ye, Chaohui; Deng, Feng

    2005-07-01

    We present an experimentally feasible triple-resonance NMR method that establishes the correlation among three different nuclei, avoiding the difficulty to directly explore the weak coupling between two NMR nuclei, such as (29)Si and (27)Al. Using this method, we are able to give an unambiguous assignment to the various peaks in (29)Si CP NMR spectrum of MCM-22 zeolite and discriminate (29)Si signals from SiOHAl and SiOH groups. In addition, in combination with (1)H/(27)Al double-resonance technique, the (1)H/(27)Al/(29)Si triple-resonance experiment suggests the presence of two different kinds of Brönsted acid sites in H-MCM-22 zeolite.

  13. Iron intermetallic phases in the Al corner of the Al-Si-Fe system

    NASA Astrophysics Data System (ADS)

    Khalifa, W.; Samuel, F. H.; Gruzleski, J. E.

    2003-03-01

    The iron intermetallics observed in six dilute Al-Si-Fe alloys were studied using thermal analysis, optical microscopy, and image, scanning electron microscopy/energy dispersive X-ray, and electron probe microanalysis/wavelength dispersive spectroscopy (EPMA/WDS) analyses. The alloys were solidified in two different molds, a preheated graphite mold (600°C) and a cylindrical metallic mold (at room temperature), to obtain slow (}0.2 °C/s) and rapid (}15 °C/s) cooling rates. The results show that the volume fraction of iron intermetallics obtained increases with the increase in the amount of Fe and Si added, as well as with the decrease in cooling rate. The low cooling rate produces larger-sized intermetallics, whereas the high cooling rate results in a higher density of intermetallics. Iron addition alone is more effective than either Si or Fe+Si additions in producing intermetallics. The alloy composition and cooling rate control the stability of the intermetallic phases: binary Al-Fe phases predominate at low cooling rates and a high Fe:Si ratio; the β-Al5FeSi phase is dominant at a high Si content and low cooling rate; the α-iron intermetallics (e.g., α-Al8Fe2Si) exist between these two; while Si-rich ternary phases such as the δ-iron Al4FeSi2 intermetallic are stabilized at high cooling rates and Si contents of 0.9 wt pct and higher. Calculations of the solidification paths representing segregations of Fe and Si to the liquid using the Scheil equation did not conform to the actual solidification paths, due to the fact that solid diffusion is not taken into account in the equation. The theoretical models of Brody and Flemings[44] and Clyne and Kurz[45] also fail to explain the observed departure from the Scheil behavior, because these models give less weight to the effect of solid back-diffusion. An adjusted 500°C metastable isothermal section of the Al-Si-Fe phase diagram has been proposed (in place of the equilibrium one), which correctly predicts the

  14. Influence of the permeability of networked primary Si on the ejection of hypereutectic Al-Si melts by centrifugation

    NASA Astrophysics Data System (ADS)

    Youn, Ji Won; Jeon, Je-Beom; Park, Jin Man; Seo, Seok Yong; Lim, Jeon Taik; Kim, Suk Jun; Kim, Ki Young

    2017-03-01

    The separation of high purity Si for solar cells from Al-Si alloy melt in the mushy zone was investigated using an advanced centrifugal technique. The efficiency of separating Si, based on the weight ratio of separated Si to Si in alloy melt, was maximized by optimizing the permeability of a porous structure of Si (Si foam.) For the optimization of the permeability, two fundamental microstructure variables, size and the solid fraction of primary Si platelets, were controlled by adjusting the Si content in the melts and the rotation start temperature, respectively. The best separation efficiency (48.3% with 3N purity) was achieved when Si content in melt was 24% and the solid fraction was 8.7%. The melt with 23% Si led to a higher separation efficiency (69.8%) for a solid fraction of 10.4%, but Al sandwiched between the Si platelets resulted in a decrease in the purity to 2N.

  15. Influence of the permeability of networked primary Si on the ejection of hypereutectic Al-Si melts by centrifugation

    NASA Astrophysics Data System (ADS)

    Youn, Ji Won; Jeon, Je-Beom; Park, Jin Man; Seo, Seok Yong; Lim, Jeon Taik; Kim, Suk Jun; Kim, Ki Young

    2017-02-01

    The separation of high purity Si for solar cells from Al-Si alloy melt in the mushy zone was investigated using an advanced centrifugal technique. The efficiency of separating Si, based on the weight ratio of separated Si to Si in alloy melt, was maximized by optimizing the permeability of a porous structure of Si (Si foam.) For the optimization of the permeability, two fundamental microstructure variables, size and the solid fraction of primary Si platelets, were controlled by adjusting the Si content in the melts and the rotation start temperature, respectively. The best separation efficiency (48.3% with 3N purity) was achieved when Si content in melt was 24% and the solid fraction was 8.7%. The melt with 23% Si led to a higher separation efficiency (69.8%) for a solid fraction of 10.4%, but Al sandwiched between the Si platelets resulted in a decrease in the purity to 2N.

  16. Morphological evolution and strengthening behavior of α-Al(Fe,Mn)Si in Al-6Si-2Fe-xMn alloys

    NASA Astrophysics Data System (ADS)

    Gao, Tong; Hu, Kaiqi; Wang, Longshuai; Zhang, Bangran; Liu, Xiangfa

    β-Al5FeSi is preferred to form in Al-Si-Fe alloys, normally exhibiting needlelike, which is harmful for the mechanical properties. In this paper, with the addition of 1%, 1.5% and 3% Mn into an Al-6Si-2Fe alloy, β-Al5FeSi phase was found to transform to skeleton, flower-like and coarse dendritic α-Al(Fe,Mn)Si, respectively. The novel flower-like α-Al(Fe,Mn)Si crystals contain developed branches with the average diameter of ∼200 nm, performing strengthening effect on the tensile property. Detailed morphologies of α-Al(Fe,Mn)Si phase and the formation mechanism were discussed.

  17. Epitaxial growth of SiC from Al?Si solution reacting with propane gas

    NASA Astrophysics Data System (ADS)

    Tanaka, A.; Ataka, T.; Ohkura, E.; Katsuno, H.

    2004-09-01

    A new low-temperature LPE technique has been developed. SiC layers were grown on a Si-face of 6H-SiC substrates from Al-Si solution reacting with propane gas at 1000°C. Morphology of the as-grown surface of the layers changed depending on whether the solution was saturated with Si or not. Based on the observation, two growth modes, corresponding to segregation dominance or surface diffusion dominance, were discussed. The use of off-axis substrates made the growth rate increase remarkably. The thickness reached about 10-μm after 8-h growth. PL measurements revealed that the polytype of the grown layers belongs to a hexagonal group.

  18. Production of Al-Si-SiCp cast composites by injection of low-energy ball-milled Al-SiCp powder into the melt

    NASA Astrophysics Data System (ADS)

    Ghahremanian, Mohsen; Niroumand, Behzad; Panjepour, Masoud

    2012-02-01

    Al-7wt%Si-10wt%SiCp composite with uniformly distributed reinforcement particles with the average size of about 3 microns was produced by a special compocasting method in which the reinforcement was injected into the melt in the form of particulate Al-SiCp composite powder instead of SiCp. The effects of the reinforcement addition form, the solid fraction of primary alpha-aluminum particles at pouring, and stirring speed on the incorporation of reinforcement particles into the matrix were investigated. Injection of particulate Al-SiCp composite led to improved incorporation and dispersion and reduced size of SiCp. Casting from the semisolid state significantly improved the incorporation of SiCp into the matrix. The optimal solid fraction of primary alpha-aluminum particles to achieve a reasonable combination of reinforcement incorporation and fluidity of the composite slurry was recognized to be about 0.1. The incorporation of SiCp was improved by increasing the stirring speed up to 500 rpm and then gradually decreased.

  19. Refinement performance and mechanism of an Al-50Si alloy

    SciTech Connect

    Dai, H.S.; Liu, X.F.

    2008-11-15

    The microstructure and melt structure of primary silicon particles in an Al-50%Si (wt.%) alloy have been investigated by optical microscopy, scanning electron microscopy, electron probe micro-analysis and a high temperature X-ray diffractometer. The results show that the Al-50Si alloy can be effectively refined by a newly developed Si-20P master alloy, and the melting temperature is crucial to the refinement process. The minimal overheating degree {delta}T{sub min} ({delta}T{sub min} is the difference between the minimal overheating temperature T{sub min} and the liquidus temperature T{sub L}) for good refinement is about 260 deg. C. Primary silicon particles can be refined after adding 0.2 wt.% phosphorus amount at sufficient temperature, and their average size transforms from 2-4 mm to about 30 {mu}m. The X-ray diffraction data of the Al-50Si melt demonstrate that structural change occurs when the melting temperature varies from 1100 deg. C to 1300 deg. C. Additionally, the relationship between the refinement mechanism and the melt structure is discussed.

  20. First-principles simulations of CaO and CaSiO3 liquids: structure, thermodynamics and diffusion

    NASA Astrophysics Data System (ADS)

    Bajgain, Suraj K.; Ghosh, Dipta B.; Karki, Bijaya B.

    2015-05-01

    We have performed first-principles molecular dynamics simulations of CaO and CaSiO3 liquids over broad ranges of pressure (0-150 GPa) and temperature (2,500-8,000 K) within density-functional theory. The simulated liquid structure changes considerably on compression with the mean cation-anion coordination numbers increasing nearly linearly with volume. The Ca-O coordination number increases from 5 (7) near the ambient pressure to 8 (10) at high pressure for CaO (CaSiO3) liquid. The Si-O coordination number increases from 4 to 6 over the same pressure regime. Our results show that both liquids are much more compressible than their solid counterparts implying the possibility of liquid-solid density crossovers at high pressure. The Grüneisen parameter of both the liquids increases with pressure, which is opposite in case of crystalline phases. The calculated self-diffusion coefficients strongly depend on temperature and pressure, thereby requiring non-Arrhenian representation with variable activation volume. The diffusivity differences between the two liquids tend to be large at low-temperature and low-pressure regime. Also, comparisons with MgSiO3 liquid suggest that network modifier cations Ca and Mg behave similarly though Ca is more coordinated and more mobile as compared to Mg.

  1. Fabrication and Analysis of the Wear Properties of Hot-Pressed Al-Si/SiCp + Al-Si-Cu-Mg Metal Matrix Composite

    NASA Astrophysics Data System (ADS)

    Bang, Jeongil; Oak, Jeong-Jung; Park, Yong Ho

    2016-01-01

    The aim of this study was to characterize microstructures and mechanical properties of aluminum metal matrix composites (MMC's) prepared by powder metallurgy method. Consolidation of mixed powder with gas atomized Al-Si/SiCp powder and Al-14Si-2.5Cu-0.5Mg powder by hot pressing was classified according to sintering temperature and sintering time. Sintering condition was optimized using tensile properties of sintered specimens. Ultimate tensile strength of the optimized sintered specimen was 228 MPa with an elongation of 5.3% in longitudinal direction. In addition, wear properties and behaviors of the sintered aluminum-based MMC's were analyzed in accordance with vertical load and linear speed. As the linear speed and vertical load of the wear increased, change of the wear behavior occurred in order of oxidation of Al-Si matrix, formation of C-rich layer, Fe-alloying to matrix, and melting of the specimen

  2. Effects of Ag-Doping on Thermoelectric Properties of Ca(2-x)AgxSi Alloys

    NASA Astrophysics Data System (ADS)

    Duan, Xingkai; Hu, Konggang; Kuang, Jing; Jiang, Yuezhen; Yi, Dengliang

    2016-11-01

    Ca(2-x)AgxSi (0 ≤ x ≤ 0.1) with 47.5% excess of Ca alloys were fabricated by melting in a tantalum tube and hot pressing technique. Phase structures of the samples were studied by means of x-ray diffraction. The electrical conductivity and Seebeck coefficient of Ca(2-x)AgxSi alloys were studied in the temperature range of 300-873 K. The electrical conductivity of the Ag-doped samples increases within the whole test temperature range. All samples show p-type semiconductor behavior. The electrical conductivity decreases with increasing temperature from 300 K to 873 K, which is typically observed for a degenerate semiconductor. Compared with the undoped samples, Ag-doping (x = 0.04-0.1) results in decreases of Seebeck coefficient, especially Ca(2-x)AgxSi with x = 0.1. The thermal conductivity of the doped samples gradually increases with increasing the Ag-doping content. The Ca(2-x)AgxSi with x = 0.02 sample exhibits the lowest thermal conductivity within the whole test temperature range. The ZT values of Ca(2-x)AgxSi with x = 0.02 sample have an enhancement in the temperature range of 300-873 K by contrast with those of the Ca2Si sample. The maximum ZT value is 0.16 at 837 k, which is observed for the Ca(2-x)AgxSi with x = 0.04 sample.

  3. Effects of Ag-Doping on Thermoelectric Properties of Ca(2-x)AgxSi Alloys

    NASA Astrophysics Data System (ADS)

    Duan, Xingkai; Hu, Konggang; Kuang, Jing; Jiang, Yuezhen; Yi, Dengliang

    2017-05-01

    Ca(2-x)AgxSi (0 ≤ x ≤ 0.1) with 47.5% excess of Ca alloys were fabricated by melting in a tantalum tube and hot pressing technique. Phase structures of the samples were studied by means of x-ray diffraction. The electrical conductivity and Seebeck coefficient of Ca(2-x)AgxSi alloys were studied in the temperature range of 300-873 K. The electrical conductivity of the Ag-doped samples increases within the whole test temperature range. All samples show p-type semiconductor behavior. The electrical conductivity decreases with increasing temperature from 300 K to 873 K, which is typically observed for a degenerate semiconductor. Compared with the undoped samples, Ag-doping ( x = 0.04-0.1) results in decreases of Seebeck coefficient, especially Ca(2-x)AgxSi with x = 0.1. The thermal conductivity of the doped samples gradually increases with increasing the Ag-doping content. The Ca(2-x)AgxSi with x = 0.02 sample exhibits the lowest thermal conductivity within the whole test temperature range. The ZT values of Ca(2-x)AgxSi with x = 0.02 sample have an enhancement in the temperature range of 300-873 K by contrast with those of the Ca2Si sample. The maximum ZT value is 0.16 at 837 k, which is observed for the Ca(2-x)AgxSi with x = 0.04 sample.

  4. Early development of Al, Ca, and Na compositional gradients in labradorite leached in pH 2 HCl solutions

    NASA Astrophysics Data System (ADS)

    Nesbitt, H. W.; Skinner, W. M.

    2001-03-01

    Labradorite reacted with HCl solution (pH = 2.0) develops leached layers extending to about 500 Å depth after 12 h leaching, and to 1500 Å depth after 143 h leaching. Accurate Al, Ca, and Na compositional depth profiles were measured using x-ray photoelectron spectroscopy (XPS), with compositional accuracy of about 10% and depth resolution of about 50 Å. XPS analyses of pristine K-feldspar and labradorite surfaces yield Ca, Al, Si, and O analyses within about 5% of electron microprobe results. Alkali element analyses are inaccurate due to preferential sputtering or mobility induced by fracture. The accurate compositional depth profiles yield well constrained diffusion coefficients and moving boundary velocities for Ca and Al. Na, Ca, and Al compositional gradients change character after about 2 days of leaching, from a convex upward hyperboloid to a sigmoid shape. Thereafter, the feldspar diffusion front is clearly separated from the surface (where silica dissolution occurs), with the diffusion front migrating into the feldspar at about 4 × 10 -11 cm/s. Al diffuses down the compositional gradient at about 2.5 × 10 -17 cm 2/s and Ca diffuses almost twice as fast (4.0 × 10 -17 cm 2/s). The solution-solid interface and active leaching zone are separated (after 2 days) by a Si-rich zone virtually devoid of Na, Ca, and Al. Diffusion rates through this Si-rich overlayer may be very rapid and approach rates observed in aqueous solutions. Diffusive release of Ca and Al from labradorite cannot be modelled accurately with mathematical solutions where diffusion through homogeneous media is assumed. During leaching, Ca and Al apparently diffuse by "jumping" to, and residing on, previously vacated structural sites of the feldspar. The probability of Ca and Al migrating towards solution consequently is greater than their probability of migrating towards pristine plagioclase, primarily because there are many more "vacant" sites in the leached zone than in pristine

  5. Standard Chemical Thermodynamic Properties of Alkanol Isomer GroupsHigh-Temperature Vaporization Behavior of Oxides II. Oxides of Be, Mg, Ca, Sr, Ba, B, Al, Ga, In, Tl, Si, Ge, Sn, Pb, Zn, Cd, and Hg

    NASA Astrophysics Data System (ADS)

    Alberty, Robert A.; Chung, Michael B.; Flood, Theresa M.; Lamoreaux, R. H.; Hildenbrand, D. L.; Brewer, L.

    1987-07-01

    The chemical thermodynamic properties of alkanol(ROH) isomer groups from CH4O to C4H10O in the ideal gas phase have been calculated from 298.15 to 1000 K from tables of Stull, Westrum, and Sinke. In the absence of literature data on all isomers of higher isomer groups, the properties of isomers of C5H12O to C8H18O have been estimated using Benson group values. Equilibrium mole fractions within isomer groups have been calculated for the ideal gas state from 298.15 to 1000 K. For isomer group properties increments per carbon atom have been calculated to show the extent to which thermodynamic properties of higher isomer groups may be obtained by linear extrapolation. Values of C○P, S○, ΔfH○, and ΔfG○ are given for all species of alkanols from CH4O to C8H18O in SI units for a standard state pressure of 1 bar.

  6. LiCaAl/sub 6/:Cr/sup 3+/

    SciTech Connect

    Payne, S.A.; Chase, L.L.; Newkirk, H.W.; Smith, L.K.; Krupke, W.F. )

    1988-11-01

    The authors report the discovery of a new laser, LiCaAIF/sub 6/:Cr/sup 3/ (Cr/sup 3+/ :LiCAF). The intrinsic (extrapolated maximum) slope efficiency was found to be 67 percent. For comparison, they also measured the intrinsic slope efficiencies of BeAl/sub 2/O/sub 4/:Cr/sup 3+/ (alexandrite), Na/sub 3/Ga/sub 2/Li/sub 3/F/sub 12/:Cr/sup 3+/, and ScBO/sub 3/:Cr/sup 3+/, and obtained values of 65,28, and 26 percent, respectively. The tuning range of LiCaAIF/sub 6/:Cr/sup 3+/ was determined to be at least 720-840 nm. The conventional spectroscopic properties, such as the absorption, emission, and emission lifetimes as a function of temperature, are reported as well.

  7. Hibonite, Ca2/Al, Ti/24O38, from the Leoville and Allende chondritic meteorites.

    NASA Technical Reports Server (NTRS)

    Keil, K.; Fuchs, L. H.

    1971-01-01

    Hibonite was discovered in light-colored, Ca-Al-Ti-rich and Si-Fe-poor, achondritic inclusions of the Leoville and Allende HL-group chondrites. Two varieties of hibonite occur: one emits a bright red-orange luminescence under electron bombardment and has high amounts of Al2O3 (87.7; 87.9) and low amounts of MgO (0.65; 0.8) and TiO2 (0.68; 0.8). The other emits a bright blue luminescence and is low in Al2O3 (78.7; 79.2) and high in MgO (3.3; 3.7) and TiO2 (6.5; 7.9) (in wt. %). The oxide CaO is about the same in both varieties. It is suggested that the change in the color of the visible luminescence results from changes in composition. The origin of hibonite which occurs in complex mineral assemblages together with anorthite, gelhenite, wollastonite, aluminous diopside, andradite, Ca-pyroxene, perovskite, spinel, taenite, chromite, and pentlandite, and in close proximity to nodules containing calcite, whewellite, forsterite and many of the aforementioned phases, is discussed. The proposition that hibonite and associated phases originated by contact metamorphism and metasomatism of calcite-dolomite bearing assemblages cannot, at this time, be completely ruled out.

  8. [Characteristics of the absorption spectra of the mixtures of C42(Al), C32 (Si) and so on].

    PubMed

    Chen, W

    1998-12-01

    The mixtures containing C42 (A1), C32 (Si), C30 (Ca) and C28 (Fe) are produced by means of arc discharge and He gas convection. The spectra are measured and compared with the absorption spectra of all carbon molecules. The result shows that after imbeded in all carbon molecules, the Al, Si, Ca and Fe atoms do not change the positions of the absorption peak of original molecules, but only change the probability of pi --> pi* transition and n --> pi* transition of these molecules.

  9. Melting of CaO and CaSiO3 at Deep Mantle Condition Using First Principles Simulations

    NASA Astrophysics Data System (ADS)

    Bajgain, S. K.; Ghosh, D. B.; Karki, B. B.

    2015-12-01

    Accurate prediction of melting temperatures of major mantle minerals at high pressures is important to understand the Hadean Earth as well as to explain the observed seismic anomalies at ultra-low velocity zone (ULVZ). To further investigate the geophysical implications of our recent first principles study of molten CaO and CaSiO­3, we calculated the melting temperatures of the corresponding solid phases by integrating the Clausius-Clapeyron equation. The melting behavior of their high-pressure phases can constrain the lower mantle solidus. Our calculations show melting temperature of 5700 ± 500 kelvins for CaSiO3 and 7800 ± 600 kelvins for CaO at the base of the lower mantle (136 GPa). The bulk sound velocities of CaO and CaSiO3 liquids at the core-mantle boundary are found to be 40 % lower than P-wave seismic velocity and 22 % lower than that of MgSiO3 liquid. With substantial decrease of melting temperature by freezing point depression and iron partitioning, the partial melting of multi-component silicate and its gravitational buoyancy at ULVZ cannot be ruled out.

  10. Formation of graphene/SiC/AlN multilayers synthesized by pulsed laser deposition on Si(110) substrates

    NASA Astrophysics Data System (ADS)

    Narita, S.; Meguro, K.; Takami, T.; Enta, Y.; Nakazawa, H.

    2017-02-01

    We have grown aluminum nitride (AlN) films on Si(110) substrates by pulsed laser deposition (PLD), and investigated the effects of laser power on the crystallinity and surface morphology of the AlN films. First, we epitaxially grew a fairly flat, high-quality AlN film, which contained no rotation domains, onto the Si(110) substrate in a well-lattice-matched relationship. Secondly, we formed a SiC interfacial buffer layer on the AlN film to grow a high-quality 3C-SiC film on the SiC buffer layer by PLD, which gave rise to a 3C-SiC(111)3×3 surface. The root-mean-square-roughness value of the SiC film was smaller than the previously reported values of SiC/AlN multilayers on Si(100) and Si(111) substrates. Thirdly, we grew graphene by annealing the SiC film at a high temperature in an ultra-high vacuum. It was demonstrated that the qualified graphene layer without rotation domains was grown on the SiC film. The formation of voids and the outdiffusion of Al and N atoms from the AlN film were successfully suppressed during the high-temperature annealing.

  11. Precipitation Sequence of a SiC Particle Reinforced Al-Mg-Si Alloy Composite

    NASA Astrophysics Data System (ADS)

    Shen, Rujuan; Wang, Yihan; Guo, Baisong; Song, Min

    2016-11-01

    In this study, the precipitation sequence of a 5 vol.% SiC particles reinforced Al-1.12 wt.%Mg-0.77 wt.%Si alloy composite fabricated by traditional powder metallurgy method was investigated by transmission electron microscopy and hardness measurements. The results indicated that the addition of SiC reinforcements not only suppresses the initial aging stage but also influences the subsequent precipitates. The precipitation sequence of the composite aged at 175 °C can be described as: Guinier-Preston (G.P.) zone → β″ → β' → B', which was confirmed by high-resolution transmission electron microscopy. This work might provide the guidance for the design and fabrication of hardenable automobile body sheet by Al-based composites with enhanced mechanical properties.

  12. Elasticity and inelasticity of the SiC/Al-13Si-9Mg biomorphic metal ceramics

    NASA Astrophysics Data System (ADS)

    Kardashev, B. K.; Orlova, T. S.; Smirnov, B. I.; Wilkes, T. E.; Faber, K. T.

    2008-10-01

    The acoustic investigations of the elastic (Young’s modulus) and microplastic properties of a composite material, the SiC/Al-13Si-9Mg biomorphic metal ceramic, were performed. The ceramic was prepared by infiltration of the Al-13Si-9Mg melt into porous silicon carbide derived from wood of two species of trees, beech and sapele. The measurements were performed with a composite piezoelectric vibrator under resonance conditions, with rod-shaped samples vibrated longitudinally at about 100 kHz over a wide range of vibrational strain amplitudes, which included both the linear (amplitude-independent) and nonlinear (microplastic) regions. It was shown that the Young’s modulus and the microplastic properties of the composite are anisotropic and depend substantially on the tree species, particularly when longitudinal vibrations are excited in samples cut along the tree fibers.

  13. Development of advanced batteries at Argonne National Laboratory. Summary report for 1979. [Li-Al/LiCl-KCl/FeS or FeS/sub 2/, 40 kWh; also Ca-Si/FeS/sub 2/

    SciTech Connect

    1980-04-01

    A summary for 1979 of Argonne National Laboratory's program on the development of advanced batteries is presented. These batteries are being developed for electric-vehicle propulsion and stationary energy-storage applications. The principal cells under investigation at present are of a vertically oriented, prismatic design with one or more inner positive electrodes of FeS or FeS/sub 2/, facing negative electrodes of Li-Al alloy, and molten LiCl-KCl electrolyte; the cell operating temperature is 400 to 500/sup 0/C. A small effort on the development of a calcium/metal sulfide cell is also being conducted. During 1979, cell and battery development work continued at ANL and contractors' laboratories. A 40-kWh electric-vehicle battery (designated Mark IA) was fabricated and delivered by Eagle-Picher Industries, Inc. to ANL for testing. During heat-up, one of the modules failed due to a short circuit. A failure analysis was conducted, and the Mark IA program, completed. Development work on the next electric-vehicle battery (Mark II) was initiated at Eagle-Picher and Gould, Inc. Work on stationary energy-storage batteries consisted primarily of conceptual design studies. 9 figures, 7 tables.

  14. Photoluminescence and electroluminescence characteristics of CaSiN2:Eu phosphor

    NASA Astrophysics Data System (ADS)

    Lee, Soon S.; Lim, Sungkyoo; Sun, Sey-Shing; Wager, John F.

    1997-11-01

    Photoluminescenc eand electroluminescence of CaSiN2:Eu materials were investigted to develop a new phosphor for thin film electroluminescence (TFEL) device applications. Ca3N2 and Si3N4 powders were mixed to form CaSiN2 hostmaterials and Eu was added as the luminescent center. The mixed powermatrials were cold pressed under the pressure of 1 Kg/cm2 to make pellets, and fired at 1400 degrees Celsius for 2 hours under N2H2 envrionemtn. Th ex-ry diffraction(CRD) patterns of synthesizd materals wer well matched with CaSiN2 of joint committee for powder diffraction standards (JCPDS) csrad. When illuminated by ultravilet rays, th enew phosphors emitted very bright red ligh of peak wav lenegth centered at 620 nm. Th TFEL devices with CaSiN2:Eu phosphor layser swre grown by sputter depositonof CaSiN2:Eu target. Red light emission was observed when the peak amplitude of the applied voltge exceeded 116 V.l The luminance was shown to increase sharply withth increase of the applied voltage. The maximum luminance was 1.62 Cd/m2 at the applied peak voltage of 276 V. The red emission from CaSiN2:Eu TFEL device seems to result from electronic transition of Eu3+ ions.The emission spectra of TFEl devices matchwell withth ephotoluminescence spectra of CaSiN2:Ey powders. The new devices structure and fabrication processes for the iimprovement of emission intenityof CaSiN2:Eu TFEl devices ar under investigation.

  15. Nuclear structure of 37, 38Si investigated by decay spectroscopy of 37, 38Al

    NASA Astrophysics Data System (ADS)

    Steiger, K.; Nishimura, S.; Li, Z.; Gernhäuser, R.; Utsuno, Y.; Chen, R.; Faestermann, T.; Hinke, C.; Krücken, R.; Kurata-Nishimura, M.; Lorusso, G.; Miyashita, Y.; Shimizu, N.; Sugimoto, K.; Sumikama, T.; Watanabe, H.; Yoshinaga, K.

    2015-09-01

    We present a study on the β decays of the neutron-rich isotopes 37Al and 38Al, produced by projectile fragmentation of a 48Ca beam with an energy E = 345 A MeV at the RIKEN Nishina Center. The half-lives of 37Al and 38Al have been measured to 11.5(4)ms and 9.0(7)ms, respectively, using the CAITEN implantation and decay detector setup. The level schemes for 37Si and 38Si were deduced by employing γ- γ coincidence spectroscopy following the event-by-event identification of the implanted nuclei. Comparison to large scale nuclear shell model calculations allowed for a tentative assignment of spin and parity of the populated states. The data indicate that the classical shell gap at magic neutron number N = 28 between the νf 7/2 and νp 3/2 orbits gets reduced by 0.3 MeV in this region leading to low-energy states with intruder configuration in 37Si.

  16. Eutectic Morphology of Al-7Si-0.3Mg Alloys with Scandium Additions

    NASA Astrophysics Data System (ADS)

    Pandee, Phromphong; Gourlay, C. M.; Belyakov, S. A.; Ozaki, Ryota; Yasuda, Hideyuki; Limmaneevichitr, Chaowalit

    2014-09-01

    The mechanisms of Al-Si eutectic refinement due to scandium (Sc) additions have been studied in an Al-7Si-0.3Mg foundry alloy. The evolution of eutectic microstructure is studied by thermal analysis and interrupted solidification, and the distribution of Sc is studied by synchrotron micro-XRF mapping. Sc is shown to cause significant refinement of the eutectic silicon. The results show that Sc additions strongly suppress the nucleation of eutectic silicon due to the formation of ScP instead of AlP. Sc additions change the macroscopic eutectic growth mode to the propagation of a defined eutectic front from the mold walls opposite to the heat flux direction similar to past work with Na, Ca, and Y additions. It is found that Sc segregates to the eutectic aluminum and AlSi2Sc2 phases and not to eutectic silicon, suggesting that impurity-induced twinning does not operate. The results suggest that Sc refinement is mostly caused by the significantly reduced silicon nucleation frequency and the resulting increase in mean interface growth rate.

  17. Atomic arrangement at the AlN/SiC interface

    SciTech Connect

    Ponce, F.A.; Van de Walle, C.G.; Northrup, J.E.

    1996-03-01

    The lattice structure of the AlN/SiC interface has been studied in cross section by high-resolution transmission-electron microscopy. Lattice images show planar and crystallographically abrupt interfaces. The atomic arrangement at the plane of the interface is analyzed based on the image characteristics. Possible bonding configurations are discussed. Variations in local image contrast and interplanar separations are used to identify atomic bonding configurations consistent with the lattice images. {copyright} {ital 1996 The American Physical Society.}

  18. Solidification Sequence and Evolution of Microstructure During Rheocasting of Four Al-Si-Mg-Fe Alloys with Low Si Content

    NASA Astrophysics Data System (ADS)

    Payandeh, Mostafa; Jarfors, Anders E. W.; Wessén, Magnus

    2016-03-01

    Four Al-Si-Mg-Fe alloys with Si contents varying from 1.6 to 4.5 wt pct were rheocast, using the RheoMetal™ process to prepare slurry and cast in a vertical high-pressure die casting machine. Particle size and Si concentration in the α-Al particles in the slurry and in the as-rheocast component were investigated. A uniform distribution of Si in the globular α 1-Al particles was achieved in the slurry. In the rheocast samples, measurement of the α 1-Al particles showed that these particles did not increase significantly in size during pouring and secondary solidification. The two additional α-Al particles types, α 2-Al particles and α 3-Al particles, were identified as being a result of two discrete nucleation events taking place after slurry production. The Si concentration in the α 2-Al and α 3-Al particles indicated that the larger α 2-Al particles precipitated before the α 3-Al particles. In addition, in the as-rheocast condition, the Si distribution inside the α 1-Al particles showed three distinct zones; an unaffected zone, a transition zone, and in some cases the start of a dendritic/cellular zone. The phenomenon of dendritic growth of globular α 1-Al particles during secondary solidification occurred concomitantly with the final eutectic reaction and increased with increasing amount of the Al-Si eutectic phase.

  19. A computational study of Al/Si ordering in cordierite

    NASA Astrophysics Data System (ADS)

    Thayaparam, S.; Heine, V.; Dove, M. T.; Hammonds, K. D.

    1996-03-01

    The ordering of Al and Si in Mg cordierite Mg2Al4Si5O18 is considered using computer simulation. First the enthalpy of interaction J ij between sites is derived by computer modelling 101 different Al/Si configurations and analysing their energies. They are compared with similar results for three other minerals and with ab initio calculations to assess the whole approach. Secondly the ordering process is studied using Monte Carlo simulation applied to the J ij . The ordering phase transition temperature T c is found as 1800°C in reasonable agreement with the experimental estimate of 1450° C. These are much lower than the estimate T c(ABW)≈7600°C obtained from Bragg-Williams theory. Strong short-range order sets in below T c(ABW), and the reasons for much lower temperature T c of long-range ordering are discussed. Strong short-range also sets in very rapidly in a simulated anneal, in agreement with experiment. Thirdly an attempt is made to compare our calculated enthalpies directly with the results of NMR and calorimetry experiments, not completely successfully. A free energy ΔG≈4.6 eV for the activation barrier for ordering is suggested.

  20. Wettability of AlSi5Mg on Spodumene

    NASA Astrophysics Data System (ADS)

    Fankhänel, Beate; Stelter, Michael; Voigt, Claudia; Aneziris, Christos G.

    2015-02-01

    The development of new filters for the aluminum industry requires investigations on the wettability of aluminum and its alloys on novel filter materials. The requested filter effects require not only an adequate wetting but also information about the interaction between the filter material and the metal. In the present work the wettability of an AlSi5Mg alloy on spodumene (LiAl[Si2O6]) containing substrates is investigated using the sessile drop technique. These measurements were carried out at 1223 K (950 °C) under vacuum. The spodumene-based substrates showed a completely different wetting behavior compared with an alumina substrate. The contact angel reduced more quickly and leveled out at a lower value (75 ± 2 deg) than in case of a pure alumina substrate (90 ± 1 deg). The reason for this behavior is a reaction between the LiAl(Si2O6) and the alloy droplet which supported deoxidation and formed a silica-rich reaction layer at the droplet/substrate interface.

  1. Prediction of enthalpy of formation based on refined crystal structures of multisite compounds: Part 2. Application to minerals belonging to the system Li 2O-Na 2O-K 2O-BeO-MgO-CaO-MnO-FeO-Fe 2O 3-Al 2O 3-SiO 2-H 2O. Results and discussion

    NASA Astrophysics Data System (ADS)

    Vieillard, Philippe

    1994-10-01

    The method of prediction of enthalpy of formation of a multi-site compound has been developed in Part 1. This method of prediction is based on the use of the following parameters coming from the crystal structure refinements: first by spatial group, bond lengths, shortest bond lengths, molecular volume, and second from the optical properties. Part 2 shows the application of this method with 180 minerals and synthetic compounds belonging to the system Li 2O-Na 2O-K 2O-BeO-MgO-CaO-MnO-FeO-Fe 2O 3-Al 2O 3-SiO 2-H 2O which are gathered in a series of tables according to the spatial group and also to the nature of the family: hydroxides, metasilicates, orthosilicates, pyroxenes, olivines, feldspars, melilites, garnets, aluminates, ferrites, oxoferrates, spinels, phyllosilicates, hydrosilicates, amphiboles, and zeolites. The mean of absolute residual error is 0.59%. Among the twenty-three compounds exhibiting a residual error greater than ±1%, are some hydrogen-bearing minerals which may have a predicted enthalpy of formation from oxides closer to the experimental data by taking into consideration the orientation of water molecules and the hydrogen around the oxygens. This study initially demonstrated for lawsonite, may be applied to other hydrogen-bearing minerals such as natrolite, scolecite, mesolite, yugawaralite, clinochlore, cookeite, carpholite, and chloritoid. From the available recent crystal refinements of some minerals, the enthalpies of formation have been evaluated for the following minerals:

  2. CaO-MgO-Al2O3-SiO2 (CMAS) corrosion of Gd2Zr2O7 and Sm2Zr2O7

    SciTech Connect

    Wang, Honglong; Bakal, Ahmet; Zhang, Xingxing; Tarwater, Emily; Sheng, Zhizhi; Fergus, Jeffrey W.

    2016-08-08

    Ceramic thermal barrier coatings are applied to superalloys used in gas turbine engineering to increase the operating temperature and the energy conversion efficiency. However, dust consisting of CaO-MgO-Al2O3-SiO2 (CMAS) from the air can be injected into the engines and corrode the thermal barrier coatings. Lanthanide zirconates are promising materials in thermal barrier coatings due to their low thermal conductivities, good phase stability and good corrosion resistance. However, the corrosion resistance mechanism of CMAS on lanthanide zirconates is still not clearly understood. In this work, the corrosion mechanism of Gd2Zr2O7 and Sm2Zr2O7 in CMAS is studied. Here, the results show that the CMAS can easily react with lanthanide zirconate thermal barrier coatings to form a dense layer, which can resist further corrosion

  3. Preparation of Al-Si Master Alloy by Electrochemical Reduction of Fly Ash in Molten Salt

    NASA Astrophysics Data System (ADS)

    Liu, Aimin; Li, Liangxing; Xu, Junli; Shi, Zhongning; Hu, Xianwei; Gao, Bingliang; Wang, Zhaowen; Yu, Jiangyu; Chen, Gong

    2014-05-01

    An electrochemical method on preparation of Al-Si master alloy was investigated in fluoride-based molten salts of 47.7wt.%NaF-43.3wt.%AlF3-4wt.%CaF2 containing 5 wt.% fly ash at 1233 K. The cathodic products obtained by galvanostatic electrolysis were analyzed by means of x-ray diffraction, x-ray fluorescence, scanning electron microscopy, and energy-dispersive spectrometry. The result showed that the compositions of the products are Al, Si, and Al3.21Si0.47. Meanwhile, the cathodic electrochemical process was studied by cyclic voltammetry, and the results showed the reduction peak of aluminum deposition is at -1.3 V versus the platinum quasi-reference electrode in 50.3wt.%NaF-45.7wt.%AlF3-4wt.%CaF2 molten salts, while the reduction peak at -1.3 V was the co-deposition of aluminum and silicon when the fly ash was added. The silicon and iron were formed via both co-deposition and aluminothermic reduction. In the electrolysis experiments, current efficiency first increased to a maximum value of 40.7% at a current density of 0.29 A/cm2, and then it decreased with the increase of current density. With the electrolysis time lasting, the content of aluminum in the alloys decreased from 76.05 wt.% to 48.29 wt.% during 5 h, while the content of silicon increased from 15.94 wt.% to 37.89 wt.%.

  4. Methods of improving mechanical and biomedical properties of Ca-Si-based ceramics and scaffolds.

    PubMed

    Wu, Chengtie

    2009-05-01

    CaSiO3 ceramics and porous scaffolds are regarded as potential materials for bone tissue regeneration owing to their excellent bioactivity. However, their low mechanical strength and high dissolution limit their further biomedical application. In this report, we introduce three methods to improve the mechanical and biomedical properties of CaSiO3 ceramics and scaffolds. Positive ions and polymer modification are two promising ways to improve the mechanical and biomedical properties of CaSiO3 ceramics and scaffolds for bone tissue regeneration.

  5. Evolution of a novel Si-18Mn-16Ti-11P alloy in Al-Si melt and its influence on microstructure and properties of high-Si Al-Si alloy

    NASA Astrophysics Data System (ADS)

    Zhou, Xiao-Lu; Zhu, Xiang-Zhen; Gao, Tong; Wu, Yu-Ying; Liu, Xiang-Fa

    A novel Si-18Mn-16Ti-11P master alloy has been developed to refine primary Si to 14.7 ± 1.3 μm, distributed uniformly in Al-27Si alloy. Comparing with traditional Cu-14P and Al-3P, Si-18Mn-16Ti-11P provided a much better refining effect, with in-situ highly active AlP. The refined Al-27Si alloy exhibited a CTE of 16.25 × 10-6/K which is slightly higher than that of Sip/Al composites fabricated by spray deposition. The UTS and elongation of refined Al-27Si alloy were increased by 106% and 235% comparing with those of unrefined alloy. It indicates that the novel Si-18Mn-16Ti-11P alloy is more suitable for high-Si Al-Si alloys and may be a candidate for refining hypereutectic Al-Si alloy for electronic packaging applications. Moreover, studies showed that TiP is the only P-containing phase in Si-18Mn-16Ti-11P master alloy. A core-shell reaction model was established to reveal mechanism of the transformation of TiP to AlP in Al-Si melts. The transformation is a liquid-solid diffusion reaction driven by chemical potential difference and the reaction rate is controlled by diffusion. It means sufficient holding time is necessary for Si-18Mn-16Ti-11P master alloy to achieve better refining effect.

  6. Prediction of a hexagonal SiO2 phase affecting stabilities of MgSiO3 and CaSiO3 at multimegabar pressures

    PubMed Central

    Tsuchiya, Taku; Tsuchiya, Jun

    2011-01-01

    Ultrahigh-pressure phase relationship of SiO2 silica in multimegabar pressure condition is still quite unclear. Here, we report a theoretical prediction on a previously uncharacterized stable structure of silica with an unexpected hexagonal Fe2P-type form. This phase, more stable than the cotunnite-type structure, a previously postulated postpyrite phase, was discovered to stabilize at 640 GPa through a careful structure search by means of ab initio density functional computations over various structure models. This is the first evidential result of the pressure-induced phase transition to the Fe2P-type structure among all dioxide compounds. The crystal structure consists of closely packed, fairly regular SiO9 tricapped trigonal prisms with a significantly compact lattice. Additional investigation further elucidates large effects of this phase change in SiO2 on the stability of MgSiO3 and CaSiO3 at multimegabar pressures. A postperovskite phase of MgSiO3 breaks down at 1.04 TPa along an assumed adiabat of super-Earths and yields Fe2P-type SiO2 and CsCl (B2)-type MgO. CaSiO3 perovskite, on the other hand, directly dissociates into SiO2 and metallic CaO, skipping a postperovskite polymorph. Predicted ultrahigh-pressure and temperature phase diagrams of SiO2, MgSiO3, and CaSiO3 indicate that the Fe2P-type SiO2 could be one of the dominant components in the deep mantles of terrestrial exoplanets and the cores of gas giants. PMID:21209327

  7. Prediction of a hexagonal SiO2 phase affecting stabilities of MgSiO3 and CaSiO3 at multimegabar pressures.

    PubMed

    Tsuchiya, Taku; Tsuchiya, Jun

    2011-01-25

    Ultrahigh-pressure phase relationship of SiO(2) silica in multimegabar pressure condition is still quite unclear. Here, we report a theoretical prediction on a previously uncharacterized stable structure of silica with an unexpected hexagonal Fe(2)P-type form. This phase, more stable than the cotunnite-type structure, a previously postulated postpyrite phase, was discovered to stabilize at 640 GPa through a careful structure search by means of ab initio density functional computations over various structure models. This is the first evidential result of the pressure-induced phase transition to the Fe(2)P-type structure among all dioxide compounds. The crystal structure consists of closely packed, fairly regular SiO(9) tricapped trigonal prisms with a significantly compact lattice. Additional investigation further elucidates large effects of this phase change in SiO(2) on the stability of MgSiO(3) and CaSiO(3) at multimegabar pressures. A postperovskite phase of MgSiO(3) breaks down at 1.04 TPa along an assumed adiabat of super-Earths and yields Fe(2)P-type SiO(2) and CsCl (B2)-type MgO. CaSiO(3) perovskite, on the other hand, directly dissociates into SiO(2) and metallic CaO, skipping a postperovskite polymorph. Predicted ultrahigh-pressure and temperature phase diagrams of SiO(2), MgSiO(3), and CaSiO(3) indicate that the Fe(2)P-type SiO(2) could be one of the dominant components in the deep mantles of terrestrial exoplanets and the cores of gas giants.

  8. Anisotropy of solid Si-liquid (Al,Si) interfacial tension in the binary and Sr-doped Al-Si eutectic alloy

    NASA Astrophysics Data System (ADS)

    Sens, H.; Eustathopoulos, N.; Camel, D.

    1989-12-01

    The atomic structure of interfaces between solid Si and liquid Al-Si alloys with or without Sr doping is derived from measurements of the orientation dependence of the interfacial tension at 873 K. This involves analysing the shape of small liquid droplets inside silicon grains. The results are discussed on the basis of simple broken-bond models and the periodic bond chain concept.

  9. Investigation of the Electrical Characteristics of Al/p-Si/Al Schottky Diode

    NASA Astrophysics Data System (ADS)

    Şenarslan, Elvan; Güzeldir, Betül; Sağlam, Mustafa

    2016-04-01

    In this study, p-type Si semiconductor wafer with (100) orientation, 400 μm thickness and 1-10 Ω cm resistivity was used. The Si wafer before making contacts were chemically cleaned with the Si cleaning procedure which for remove organic contaminations were ultrasonically cleaned at acetone and methanol for 10 min respectively and then rinsed in deionized water of 18 MΩ and dried with high purity N2. Then respectively RCA1(i.e., boiling in NH3+H2O2+6H2O for 10 min at 60°C ), RCA2 (i.e., boiling in HCl+H2O2+6H2O for 10 min at 60°C ) cleaning procedures were applied and rinsed in deionized water followed by drying with a stream of N2. After the cleaning process, the wafer is immediately inserted in to the coating unit. Ohmic contact was made by evaporating of Al on the non-polished side of the p-Si wafer pieces under ~ 4,2 10-6 Torr pressure. After process evaporation, p-Si with omic contac thermally annealed 580°C for 3 min in a quartz tube furnace in N2. Then, the rectifier contact is made by evaporation Al metal diameter of about 1.0 mm on the polished surface of p-Si in turbo molecular pump at about ~ 1 10-6 Torr. Consequently, Al/p-Si/Al Schottky diode was obtained. The I-V measurements of this diode performed by the use of a KEITLEY 487 Picoammeter/Voltage Source and the C-V measurements were performed with HP 4192A (50-13 MHz) LF Impedance Analyzer at room temperature and in dark.

  10. Acid mist and soil Ca and Al alter the mineral nutrition and physiology of red spruce

    Treesearch

    P.G. Schaberg; D.H. DeHayes; G.J. Hawley; G.R. Strimbeck; J.R. Cumming; P.F. Murakami; C.H. Borer

    2000-01-01

    We examined the effects and potential interactions of acid mist and soil solution Ca and Al treatments on foliar cation concentrations, membrane-associated Ca (mCa), ion leaching, growth, carbon exchange, and cold tolerance of red spruce (Picea rubens Sarg.) saplings. Soil solution Ca additions increased foliar Ca and Zn concentrations, and increased...

  11. Effectively CO2 photoreduction to CH4 by the synergistic effects of Ca and Ti on Ca-loaded TiSiMCM-41 mesoporous photocatalytic systems

    NASA Astrophysics Data System (ADS)

    Jo, Seung Won; Kwak, Byeong Sub; Kim, Kang Min; Do, Jeong Yeon; Park, No-Kuk; Ryu, Si Ok; Ryu, Ho-Jung; Baek, Jeom-In; Kang, Misook

    2015-11-01

    TixSiMCM-41 is a mesoporous photocatalyst with a tetragonal framework and high structural regularity. In this study, Ca was introduced to the TixSiMCM-41 surfaces to improve CO2 absorption. The catalytic performance of mesoporous Ca/TixSiMCM-41 was superior to that of the reported Ca/TixSiO2 nano-sized composite catalyst. The photoreduction of CO2 to CH4 improved remarkably over the Ca(10.0 wt.%)/Ti35Si65MCM-41 catalyst, producing 82.0 μmol g-1cat L-1 after an 8 h reaction. A model for the enhanced photoactivity over Ca/TixSiMCM-41 was suggested, and the results were attributed to the effective charge separation and inhibited recombination of the photogenerated electron-hole pairs over Ca/TixSiMCM-41.

  12. A Comparative Study of Si-BaSO4 and Si-CaSO4 Pyrotechnic Time-Delay Compositions

    NASA Astrophysics Data System (ADS)

    Tichapondwa, Shepherd M.; Focke, Walter W.; del Fabbro, Olinto; Gisby, John; Kelly, Cheryl

    2016-07-01

    Slow-burning Si-BaSO4 pyrotechnic delay compositions are employed commercially for intermediate to long-time delays. However, there is very little information on this composition available in open literature. The reactivity of this composition was therefore characterized and compared to that of Si-CaSO4. The Si-BaSO4 composition supported combustion in the range of 20-60 wt% Si in the bomb calorimeter. However, burning was only sustained between 20 and 40 wt% Si in rigid aluminum tubes, with burning rates of between 8.4 and 16 mm s-1. These values are comparable to those for the Si-CaSO4 system (6.9-12.5 mm s-1). However, the CaSO4-based formulations tended to have higher energy output and produced more transient pressure compared to the barium sulfate compositions. Both formulations were insensitive to impact, friction, and electrostatic discharge stimuli. The reaction products were a complex mixture that contained crystalline phases in addition to an amorphous phase. Although barium sulfate is insoluble in water and decidedly nontoxic, the reaction products produced by the Si-BaSO4 compositions were found to release soluble barium ions when contacted with water. This ranged from 50 to 140 mg per gram of barium sulfate reacted.

  13. Transformation of α-Al(Fe,Mn)Si in Al-7Si-0.4Mg cast alloys after solution heat treatment

    NASA Astrophysics Data System (ADS)

    Han, Sang Won

    2013-01-01

    The α-Al(Fe,Mn)Si compound in an Al-7Si-0.35Mg-0.2Fe-xMn cast alloy has two shapes, a needle-like shape and a Chinese script shape. These two kinds of compounds are tinged with either white or gray tones irrespective of their shape. Unlike compounds with a white tone, during solution heat treatment, all α-Al (Fe,Mn)Si compounds with a gray tone experience severe dissolution. Concerning white-tinged α-Al (Fe,Mn)Si compounds, unlike the needle-like α-Al(Fe,Mn)Si, α-Al(Fe,Mn)Si that resembles Chinese script is rarely transformed.

  14. Effect of reaction time and (Ca+Mg)/Al molar ratios on crystallinity of Ca-Mg-Al layered double Hydroxide

    NASA Astrophysics Data System (ADS)

    Heraldy, E.; Nugrahaningtyas, K. D.; Sanjaya, F. B.; Darojat, A. A.; Handayani, D. S.; Hidayat, Y.

    2016-02-01

    Ca-Mg-Al Layered Double Hydroxides (Ca-Mg-Al-LDH) compounds were successfully synthesized from brine water and AlCl3.6H2O as the starting materials by coprecipitation method. The product result was characterized by X-ray powder diffraction (XRD) and Fourier transform infrared (FT-IR). The effects of the reaction time and the molar ratios of the raw material on the crystallinity of Ca-Mg-Al-LDH were examining. Results show that increasing reaction time (30; 60 and 90 min.) could improve the crystallinity and monodispersity of layered double hydroxide compounds particles. The well-defined Ca-Mg- Al-LDH could be prepared with (Ca+Mg)/Al molar ratios 0.5.

  15. Kerr effect enhancement and corrosion resistance improvement by AlN and AlSiN films (abstract)

    NASA Astrophysics Data System (ADS)

    Lee, Z. Y.; Miao, X. S.; Liu, X. J.; Lin, G. Q.; Wan, D. F.; Hu, Y. S.

    1990-05-01

    RE-TM amorphous thin films with perpendicular magnetic anisotropy are promising for use in erasable optical recording media. In order to improve the drawback of easy oxidation and lower C/N of RE-TM films, some protective layers such as SiO, SiO2, ZnS, AlN, and Si3N4 films were studied.1,2 We have studied the Kerr effect enhancement and corrosion resistance improvement by AlN and AlSiN films. AlN and AlSiN films were prepared on glass, PC, and PMMA substrates by a rf magnetron sputtering system with three targets using low sputtering power. The films have a high refractive index (2-2.15), high optical transparency (over 90%), and high stability. The relation between optical properties and rf reactive sputtering conditions (Ar: N2 ratio, total pressure, sputtering power, sputtering time), composition, spectral transmittance, and uniformity of sputtering AlN and AlSiN films were studied. The Kerr rotation angle was up to 1.5° in AlN/TbFeCo/glass and AlSiN/TbFeCo/glass multilayer structures (laser is incident from air). We also studied AlN/TbFeCo/AlN/glass, AlN/TbFeCo/AlN/Al/glass, AlSiN/TbFeCo/AlSiN/glass and multilayer structure films. The results show that AlN and AlSiN films provide sufficient Kerr effect enhancement and superior corrosion resistance improvement to the RE-TM films. The microstructure of those films were also studied by JEM, XRD, and XPS.

  16. Thermal Stability of the Dynamic Magnetic Properties of FeSiAl-Al2O3 and FeSiAl-SiO2 Films Grown by Gradient-Composition Sputtering Technique

    NASA Astrophysics Data System (ADS)

    Zhong, Xiaoxi; Phuoc, Nguyen N.; Soh, Wee Tee; Ong, C. K.; Peng, Long; Li, Lezhong

    2017-01-01

    We carry out a systematic investigation of the dynamic magnetic properties of FeSiAl-Al2O3 and FeSiAl-SiO2 thin films prepared by gradient-composition deposition technique with respect to temperature in the range of 300 K to 420 K. It was found that the magnetic anisotropy field ( H K) and ferromagnetic resonance frequency ( f FMR) are increased with increasing deposition angle ( β) due to the enhancement of stress ( σ) when concentrations of Al and O or Si and O are increased. The thermal stability of FeSiAl-Al2O3 films show a very interesting behavior with the magnetic anisotropy increasing with temperature when the deposition angle is increased. In contrast, when the deposition angle is lower, the usual trend of decreasing magnetic anisotropy with increasing temperature is observed. Moreover, the temperature-dependent behaviors of the dynamic permeability and effective Gilbert damping coefficient ( α eff) for FeSiAl-Al2O3 and FeSiAl-SiO2 films at different deposition angles are discussed in detail.

  17. Toughening mechanisms in Al/Al-SiC laminated metal composites

    SciTech Connect

    Lesuer, D.R.; Wadsworth, J.; Riddle, R.A.; Syn, C.K.; Lewandowski, J.J.; Hunt, W.H. Jr.

    1996-12-31

    The fracture toughness of laminated metal composites consisting of alternating layers of a metal matrix composite (Al6090/SiC/25p) and a monolithic aluminum alloy (Al5182) has been studied as a function of the volume fraction of the component materials. Finite element simulations of the fracture toughness tests have been used to study the mechanisms of crack growth and extrinsic toughening. The mechanisms responsible for toughening in laminated metal composites are described.

  18. Effect of Chemistry and Particle Size on the Performance of Calcium Disilicide Primers. Part 1 - Synthesis of Calcium Silicide (CaSi2) by Rotary Atomization

    DTIC Science & Technology

    2010-02-01

    CaSi2, including reacting elemental Ca and Si (refs. 5 and 6); CaO and Si (refs. 2 and 7); calcium carbonate (CaC03), Silica (Si02), and carbon (C...refs. 8 and 9); electrolysis (refs. 10 and 11); calcium hydride (CaH2) and Si (ref. 12); SiC and CaO (ref. 13); and combustion synthesis (ref. 14

  19. Al-Si/SiC nanoparticles composites synthesized by double stir casting.

    PubMed

    Aigbodion, V S

    2011-11-01

    The present invention provides Al-Si/SiC nanoparticles composites with the composition of 7%Si, 15%SiC with average particle size (APS) of SiC, 20, 30, 40 nm and 65μm using a novel double stir casting method. The inventive nano-composites by double stir casting show a nearly uniform distribution and good dispersion of the nano-particles within the Al matrix, although small agglomeration was found in the matrix of the micro-composite. The enhancement in values of impact strength and tensile strength observed in this study is due to small particle size and good distribution of the nano particles, which were confirmed by SEM spectrum. Patents WO 2010135848 and WO2011/011601 have some relevant information about the topic developed in this study, because the principle in both cases relies on the interactions between metal matrix and the nano-particles. Hence, novel double stir casting method can be used to improve the properties of nano-composites.

  20. The Morphology and Chemistry Evolution of Inclusions in Fe-Si-Al-O Melts

    NASA Astrophysics Data System (ADS)

    Kwon, Youjong; Choi, Juhan; Sridhar, Seetharaman

    2011-08-01

    This study aims to elucidate the process of inclusion precipitation in Fe-Si and Fe-Si-Al melts. Deoxidation experiments were carried out in a vacuum induction furnace (VIF) at 1873 K (1600 °C). In the Si-deoxidation experiments, spherical SiO2 of 1~2 μm diameter was dominant. When 3 wt pct Si and 300 ppm Al were added, such that Al2O3 and mullite were thermodynamically stable, the resulting inclusions depended on the addition sequence. When aluminum was added before silicon, spherical aluminum oxides were dominant after the Al addition, but after the Si addition, the number and size of alumina decreased and Al-Si oxides and mullite appeared with increasing time. When silicon was added before aluminum, spherical SiO2 was dominant after the Si addition, but after the Al addition, spherical and polygonal alumina inclusions were dominant. When Al/Si was added simultaneously, polygonal alumina inclusions were dominant initially, but with time, Al-Si oxide and mullite inclusions increased in numbers. If the Al amount in the Al/Si addition was increased to 600 ppm, only alumina was found. This study shows how, under similar thermodynamic conditions, the transient evolution of inclusions in iron melts in the Si-Al-O system differ depending on the alloy addition sequence.

  1. In Situ Al Based Composites Fabricated in Al-SiO2-C System by Reaction Sintering

    NASA Astrophysics Data System (ADS)

    Mokhnache, El Oualid; Wang, Guisong; Geng, Lin; Kaveendran, Balasubramaniam; Henniche, Abdelkhalek; Ramdani, Noureddine

    2015-07-01

    In situ Al-based composites with different SiO2/C/Al molar ratios were fabricated by reaction hot pressing. Differential scanning calorimetry (DSC) was used to investigate the reaction mechanisms in the Al-SiO2-C system. X-ray diffraction results revealed that no new resultant phase was observed below the melting temperature of aluminum except the SiO2, C and Al phases. Heating at different synthesis temperatures showed that, up to 1000°C with a holding time of 1 h, the reactions in the Al-SiO2-C system took place completely, where the final products were Al2O3, SiC, Al4C3 and Si. Microstructural observation showed that the in situ synthesized Al2O3, SiC, Al4C3, and Si were dispersed uniformly and had fine sizes less than 2 µm. The formed interfaces between the reinforcements and Al matrix are clean and free from any interfacial phase. During cooling, the synthesized Si formed a multilayer growth in the (111) direction. When the SiO2/C/Al molar ratio was (6/3/9), more Al2O3 and Si were produced along with the complete prevention of Al4C3 in the Al-SiO2-C system. The yield strength, ultimate tensile strength and Brinell hardness of the in situ fabricated composites are significantly higher than those of pure aluminum matrix, with a decrease of ductility. Mechanisms governing the tensile fracture process are also discussed.

  2. A comparative wear study on Al-Li and Al-Li/SiC composite

    SciTech Connect

    Okumus, S. Cem Karslioglu, Ramazan Akbulut, Hatem

    2013-12-16

    Aluminum-lithium based unreinforced (Al-8090) alloy and Al-8090/SiCp/17 vol.% metal matrix composite produced by extrusion after spray co-deposition. A dry ball-on disk wear test was carried out for both alloy and composite. The tests were performed against an Al{sub 2}O{sub 3} ball, 10 mm in diameter, at room temperature and in laboratory air conditions with a relative humidity of 40-60%. Sliding speed was chosen as 1.0 ms{sup −1} and normal loads of 1.0, 3.0 and 5.0 N were employed at a constant sliding distance of 1000 m. The wear damage on the specimens was evaluated via measurement of wear depth and diameter. Microstructural and wear characterization was carried out via scanning electron microscopy (SEM). The results showed that wear loss of the Al-8090/SiC composite was less than that of the Al-8090 matrix alloy. Plastic deformation observed on the wear surface of the composite and the matrix alloy, and the higher the applied load the greater the plastic deformation. Scanning electron microscopy examinations of wear tracks also reveal that delamination fracture was the dominant wear mechanism during the wear progression. Friction coefficient was maximum at the low applied load in the case of the Al-8090/SiC composite while a gradual increase was observed with applied load for the matrix alloy.

  3. Ca(AlH4)2, CaAlH5, and CaH2+6LiBH4: Calculated dehydrogenation enthalpy, including zero point energy, and the structure of the phonon spectra.

    PubMed

    Marashdeh, Ali; Frankcombe, Terry J

    2008-06-21

    The dehydrogenation enthalpies of Ca(AlH(4))(2), CaAlH(5), and CaH(2)+6LiBH(4) have been calculated using density functional theory calculations at the generalized gradient approximation level. Harmonic phonon zero point energy (ZPE) corrections have been included using Parlinski's direct method. The dehydrogenation of Ca(AlH(4))(2) is exothermic, indicating a metastable hydride. Calculations for CaAlH(5) including ZPE effects indicate that it is not stable enough for a hydrogen storage system operating near ambient conditions. The destabilized combination of LiBH(4) with CaH(2) is a promising system after ZPE-corrected enthalpy calculations. The calculations confirm that including ZPE effects in the harmonic approximation for the dehydrogenation of Ca(AlH(4))(2), CaAlH(5), and CaH(2)+6LiBH(4) has a significant effect on the calculated reaction enthalpy. The contribution of ZPE to the dehydrogenation enthalpies of Ca(AlH(4))(2) and CaAlH(5) calculated by the direct method phonon analysis was compared to that calculated by the frozen-phonon method. The crystal structure of CaAlH(5) is presented in the more useful standard setting of P2(1)c symmetry and the phonon density of states of CaAlH(5), significantly different to other common complex metal hydrides, is rationalized.

  4. Structure of AlSi-SiC composite foams surface formed by mechanical and thermal cutting

    NASA Astrophysics Data System (ADS)

    Krajewski, Sławomir; Nowacki, Jerzy

    2015-02-01

    The article presents the geometric structure of AlSi-SiC composite foam surface after thermal, mechanical and erosive cutting with regards to its subsequent practical applications. In stereometric measurements of foam surfaces, confocal microscopy was suggested as a method fit for measuring surfaces of high discontinuity ratio that results from porosity. Basic quality parameters of cutting plane were characterised, and technical as well as methodological problems deriving from atypical porous structure of metallic foams were identified. On the basis of the results obtained, the influence of cutting methods on the geometric parameters of foam plane was established, and most favourable cutting conditions were determined.

  5. Near infrared emission of Eu2+ ions in Ca3Sc2Si3O12

    NASA Astrophysics Data System (ADS)

    Berezovskaya, I. V.; Dotsenko, V. P.; Voloshinovskii, A. S.; Smola, S. S.

    2013-10-01

    The luminescent properties of Eu2+ ions in Ca3Sc2Si3O12 have been studied for the first time. The Eu2+-doped Ca3Sc2Si3O12 exhibit a broadband emission in the 720-1100 nm region with a maximum at about 840 nm, which is due to the 4f65d → 4f7 transition of Eu2+ ions. This interpretation is supported by the appearance of the fine structure in the emission spectrum of Eu2+-doped Ca3Sc2Si3O12 at 77 K. Probably, the near infrared emission of Eu2+ ions in Ca3Sc2Si3O12 is the most long-wavelength 4f65d → 4f7 emission of these ions within more than three hundreds of Eu2+-doped inorganic compounds studied to date.

  6. Synthesis, heating, and melting of stoichiometric glass (CaSiO3·SiO2)

    NASA Astrophysics Data System (ADS)

    Engelsht, V. S.; Muratalieva, V. Zh.

    2014-01-01

    Thermodynamic analysis (TERRA program) of synthesis, heating, and melting of stoichiometric glass CaSiO3·SiO2 has been carried out. Chemically pure substances silica and lime are subjected to exothermic reaction with further external heating and melting. Wollastonite is synthesized, the chemical reaction generates heat Q chr = -505.3 kJ/kg, and temperature increases T = 820 K. When T melt = 1812-1814 K, wollastonite melts, and a mixture of liquid wollastonite and condensed silica is formed. At T melt = 1995-1997 K, silica melts, and stoichiometric glass (CaSiO3·SiO2) is formed. Evolutions of temperature and melting of wollastonite and silica have been studied by detailed step-by-step thermodynamic calculation (Δ T = 0.1 K).

  7. Wetting behavior of Al Si Mg alloys on Si3N4/Si substrates: optimization of processing parameters

    NASA Astrophysics Data System (ADS)

    de La Peña, J. L.; Pech-Canul, M. I.

    2008-06-01

    The wetting behavior of Al Si Mg alloys on Si3N4/Si substrates has been investigated using the sessile drop technique. Based on a Taguchi experiment design, the effect of the following processing parameters on the contact angle (θ) and surface tension (σLV) was studied: processing time and temperature, atmosphere (Ar and N2), substrate surface condition (with and without a silicon wafer), as well as the Mg and Si contents in the aluminium alloy. In nitrogen, non-wetting conditions prevail during the isothermal events while in argon a remarkable non-wetting to wetting transition leads to contact angles θ as low as 11±3° and a liquid surface tension σLV of 33± 10×10-5 kJ/m2. According to the multiple analysis of variance (Manova), the optimum conditions for minimizing the values of θ and σLV are as follows: temperature of 1100 °C, processing time of 90 min, argon atmosphere, no use of a silicon wafer, and the use of the Al-18% Mg-1% Si alloy. A verification test conducted under the optimized conditions resulted in a contact angle of θ=9±3° and a surface tension of σLV=29± 9×10-5 kJ/m2, both indicative of excellent wetting.

  8. Fracture toughness of SiC/Al metal matrix composite

    SciTech Connect

    Flom, Y.; Parker, B.H.; Chu, H.P.

    1989-08-01

    An experimental study was conducted to evaluate fracture toughness of SiC/Al metal matrix composite (MMC). The material was a 12.7 mm thick extrusion of 6061-T6 aluminum alloy with 40 v/o SiC particulates. Specimen configuration and test procedure conformed to ASTM E399 Standard for compact specimens. It was found that special procedures were necessary to obtain fatigue cracks of controlled lengths in the preparation of precracked specimens for the MMC material. Fatigue loading with both minimum and maximum loads in compression was used to start the precrack. The initial precracking would stop by self-arrest. Afterwards, the precrack could be safely extended to the desired length by additional cyclic tensile loading. Test results met practically all the E399 criteria for the calculation of plane strain fracture toughness of the material. A valid K{sub IC} value of the SiC/Al composite was established as K{sub IC} = 8.9 MPa square root of m. The threshold stress intensity under which crack would cease to grow in the material was estimated as delta K sub th = 2MPa square root of m for R = 0.09 using the fatigue precracking data. Fractographic examinations show that failure occurred by the micromechanism involved with plastic deformation although the specimens broke by brittle fracture. The effect of precracking by cyclic loading in compression on fracture toughness is included in the discussion.

  9. Fracture toughness of SiC/Al metal matrix composite

    NASA Technical Reports Server (NTRS)

    Flom, Yury; Parker, B. H.; Chu, H. P.

    1989-01-01

    An experimental study was conducted to evaluate fracture toughness of SiC/Al metal matrix composite (MMC). The material was a 12.7 mm thick extrusion of 6061-T6 aluminum alloy with 40 v/o SiC particulates. Specimen configuration and test procedure conformed to ASTM E399 Standard for compact specimens. It was found that special procedures were necessary to obtain fatigue cracks of controlled lengths in the preparation of precracked specimens for the MMC material. Fatigue loading with both minimum and maximum loads in compression was used to start the precrack. The initial precracking would stop by self-arrest. Afterwards, the precrack could be safely extended to the desired length by additional cyclic tensile loading. Test results met practically all the E399 criteria for the calculation of plane strain fracture toughness of the material. A valid K sub IC value of the SiC/Al composite was established as K sub IC = 8.9 MPa square root of m. The threshold stress intensity under which crack would cease to grow in the material was estimated as delta K sub th = 2MPa square root of m for R = 0.09 using the fatigue precracking data. Fractographic examinations show that failure occurred by the micromechanism involved with plastic deformation although the specimens broke by brittle fracture. The effect of precracking by cyclic loading in compression on fracture toughness is included in the discussion.

  10. Fracture toughness of SiC/Al metal matrix composite

    NASA Technical Reports Server (NTRS)

    Flom, Yury; Parker, B. H.; Chu, H. P.

    1989-01-01

    An experimental study was conducted to evaluate fracture toughness of SiC/Al metal matrix composite (MMC). The material was a 12.7 mm thick extrusion of 6061-T6 aluminum alloy with 40 v/o SiC particulates. Specimen configuration and test procedure conformed to ASTM E399 Standard for compact specimens. It was found that special procedures were necessary to obtain fatigue cracks of controlled lengths in the preparation of precracked specimens for the MMC material. Fatigue loading with both minimum and maximum loads in compression was used to start the precrack. The initial precracking would stop by self-arrest. Afterwards, the precrack could be safely extended to the desired length by additional cyclic tensile loading. Test results met practically all the E399 criteria for the calculation of plane strain fracture toughness of the material. A valid K sub IC value of the SiC/Al composite was established as K sub IC = 8.9 MPa square root of m. The threshold stress intensity under which crack would cease to grow in the material was estimated as delta K sub th = 2MPa square root of m for R = 0.09 using the fatigue precracking data. Fractographic examinations show that failure occurred by the micromechanism involved with plastic deformation although the specimens broke by brittle fracture. The effect of precracking by cyclic loading in compression on fracture toughness is included in the discussion.

  11. Wear and Friction Behavior of the Spray-Deposited SiCp/Al-20Si-3Cu Functionally Graded Material

    NASA Astrophysics Data System (ADS)

    Su, B.; Yan, H. G.; Chen, J. H.; Zeng, P. L.; Chen, G.; Chen, C. C.

    2013-05-01

    The spray-deposited SiCp/Al-20Si-3Cu functionally graded material (FGM) can meet the structure design requirements of brake disk. The effects of rotational speed and load on the wear and friction behaviors of the SiCp/Al-20Si-3Cu FGM sliding against the resin matrix friction material were investigated. For comparison, the wear and friction behaviors of a commercially used cast iron (HT250) brake rotor were also studied. The results indicate that the friction coefficient of the SiCp/Al-20Si-3Cu FGM decreases constantly with the increase of load or rotational speed and is affected by the gradient distribution of SiC particles. The wear rate of the SiCp/Al-20Si-3Cu FGM firstly increases, then decreases and finally increases again with increasing load or speed, and is about 1/10 of that of HT250. Based on observations and analyses on the morphology and substructure of the worn surface, the mechanical mixing layer acts as a protective coating and lubricant, and its thickness reduces with the SiC content increasing. Furthermore, it is proposed that the dominant wear mechanism of SiCp/Al-20Si-3Cu FGM changes from the abrasive wear to the oxidative wear and further to the delamination wear with increasing load or speed.

  12. Wear resistance of TiAlSiN thin coatings.

    PubMed

    Silva, F J G; Martinho, R P; Alexandre, R J D; Baptista, A P M

    2012-12-01

    In the last decades TiAIN coatings deposited by PVD techniques have been extensively investigated but, nowadays, their potential development for tribological applications is relatively low. However, new coatings are emerging based on them, trying to improve wear behavior. TiAlSiN thin coatings are now investigated, analyzing if Si introduction increases the wear resistance of PVD films. Attending to the application, several wear test configurations has been recently used by some researchers. In this work, TiAISiN thin coatings were produced by PVD Unbalanced Magnetron Sputtering technique and they were conveniently characterized using Scanning Electron Microscopy (SEM) provided with Energy Dispersive Spectroscopy (EDS), Atomic Force Microscopy (AFM), Electron Probe Micro-Analyzer (EPMA), Micro Hardness (MH) and Scratch Test Analysis. Properties as morphology, thickness, roughness, chemical composition and structure, hardness and film adhesion to the substrate were investigated. Concerning to wear characterization, two very different ways were chosen: micro-abrasion with ball-on-flat configuration and industrial non-standardized tests based on samples inserted in a feed channel of a selected plastic injection mould working with 30% (wt.) glass fiber reinforced polypropylene. TiAISiN coatings with a small amount of about 5% (wt.) Si showed a similar wear behavior when compared with TiAIN reported performances, denoting that Si addition does not improve the wear performance of the TiAIN coatings in these wear test conditions.

  13. First-principles study on Al4Sr as the heterogeneous nucleus of Mg2Si

    NASA Astrophysics Data System (ADS)

    Xia, Zhi; Li, Ke

    2016-12-01

    The interfacial structure, electronic structure, work of adhesion and interfacial energy of the Al4Sr(100)/Mg2Si(100) interface have been studied with first-principles calculations to clarify the heterogeneous nucleation potential of the Al4Sr particle for a primary Mg2Si phase. Eight models of the Al4Sr(100)/Mg2Si(100) interface with OT and HCP stacking were adopted for the interfacial model geometries. The results show that the Al-Mg terminations of HCP and Al-Si terminations of OT stacking, with lower interfacial spacing and higher interfacial adhesion, are the most favorable structures after relaxation. Al-Mg- and Al-Si-terminated interfaces, with a lower interfacial distance, form chemical bonds more easily. Metallic bonds are formed near the Al-Mg-terminated interface, while the Al-Si-terminated interface exhibits predominantly covalent bond characteristics. Moreover, the calculated interfacial energies of both terminations are negative in conditions involving excess Mg atoms. The interfacial energies of Al-Si are lower than those of Al-Mg termination, indicating that the Al-Si-terminated interface is more stable. From thermodynamic analysis, we discover that the Al4Sr particle can be an effective heterogeneous nucleation substrate for Mg2Si in a Mg-Al-Si alloy melt.

  14. Biocompatibility property of 100% strontium-substituted SiO2 -Al2 O3 -P2 O5 -CaO-CaF2 glass ceramics over 26 weeks implantation in rabbit model: Histology and micro-Computed Tomography analysis.

    PubMed

    Basu, Bikramjit; Sabareeswaran, A; Shenoy, S J

    2015-08-01

    One of the desired properties for any new biomaterial composition is its long-term stability in a suitable animal model and such property cannot be appropriately assessed by performing short-term implantation studies. While hydroxyapatite (HA) or bioglass coated metallic biomaterials are being investigated for in vivo biocompatibility properties, such study is not extensively being pursued for bulk glass ceramics. In view of their inherent brittle nature, the implant stability as well as impact of long-term release of metallic ions on bone regeneration have been a major concern. In this perspective, the present article reports the results of the in vivo implantation experiments carried out using 100% strontium (Sr)-substituted glass ceramics with the nominal composition of 4.5 SiO2 -3Al2 O3 -1.5P2 O5 -3SrO-2SrF2 for 26 weeks in cylindrical bone defects in rabbit model. The combination of histological and micro-computed tomography analysis provided a qualitative and quantitative understanding of the bone regeneration around the glass ceramic implants in comparison to the highly bioactive HA bioglass implants (control). The sequential polychrome labeling of bone during in vivo osseointegration using three fluorochromes followed by fluorescence microscopy observation confirmed homogeneous bone formation around the test implants. The results of the present study unequivocally confirm the long-term implant stability as well as osteoconductive property of 100% Sr-substituted glass ceramics, which is comparable to that of a known bioactive implant, that is, HA-based bioglass.

  15. Fabrication and characterization of bioactive β-Ca2SiO4/PHBV composite scaffolds.

    PubMed

    Wang, Nana; Zhou, Zheng; Xia, Leilei; Dai, Yao; Liu, Hairong

    2013-05-01

    A key challenge in tissue engineering is the construction of a scaffold with adequate properties which would mimic extracellular matrix (ECM) to induce the cells' efficient adhesion, proliferation and proper differentiation. Novel β-Ca2SiO4/PHBV composite scaffolds were fabricated by integrating β-Ca2SiO4 nanoparticles with PHBV backbone via a modified solvent casting-particulates leaching method, which generates interconnected porous structure and the high porosity, about 87%, of these scaffolds. Compared with PHBV scaffolds, β-Ca2SiO4/PHBV composite scaffolds facilitate the adhesion of human osteoblast-like MG-63 cells due to their increased hydrophilicity. The β-Ca2SiO4/PHBV composite scaffolds containing 2.5 or 5% β-Ca2SiO4 nanoparticles significantly enhance the proliferation of MG-63 cells by stimulating the transcription of the transforming growth factor-β1 (TGF-β1) and bone morphogenetic protein-7 (BMP-7) genes. These scaffolds also induce early differentiation via promoting the transcription of alkaline phosphatase (ALP). The results suggest the potential application of β-Ca2SiO4/PHBV composites in bone tissue engineering.

  16. Study of SiRNA-loaded PS-mPEG/CaP nanospheres on lung cancer

    NASA Astrophysics Data System (ADS)

    Wang, Qi; Qin, Liubin; Sun, Ying; Shen, Ming; Duan, Yourong

    2014-05-01

    An ultrasound-adsorption method was used to prepare Bcl-2-SiRNA-loaded PS-mPEG/CaP nanospheres. The size and zeta potential were 18.41 ± 4.31 nm ( n = 5) and -23.5 ± 0.6 mV, respectively. The entrapment efficiency of SiRNA was 92.86 %. MTT assay results confirmed that the blank nanospheres demonstrated a negligible cytotoxicity response in H1299 cells. Flow cytometer analysis results demonstrated that PS-mPEG/CaP NSs could carry SiRNA into the cells effectively. RT-PCR experiments and apoptosis assay results approved that, compared with free SiRNA, SiRNA-loaded PS-mPEG/CaP NSs could silence Bcl-2 gene and induce cell apoptosis effectively. In vivo distribution results confirmed PS-mPEG/CaP NSs could carry SiRNA enter the tumor tissue effectively. Taken together, these results suggest that the Bcl-2-SiRNA-loaded PS-mPEG/CaP nanospheres have great potential to be used to cure lung cancer.

  17. Diffusion behavior of dual capping layers in TiN/LaN/AlN/HfSiOx/Si stack

    NASA Astrophysics Data System (ADS)

    Zheng, X. H.; Huang, A. P.; Xiao, Z. S.; Wang, M.; Liu, X. Y.; Wu, Z. W.; Chu, Paul K.

    2011-09-01

    The diffusion behavior and interlayer interactions in the LaN/AlN dual capping layers of TiN/LaN/AlN/HfSiOx/Si stacks are investigated. Depth profiling and chemical state analysis performed after partial removal of the TiN gate indicate that Al-O replaces Al-N forming an Al-O dipole layer between the TiN and high-k layer after annealing. Meanwhile, La diffuses into HfSiOx and the La-based dipole is controlled by suppression of O diffusion to the bottom layer. Our results reveal that the properties of the TiN/LaN/AlN/HfSiOx/Si stack can be improved significantly by the dual capping layers.

  18. Actinide chemistry in Allende Ca-Al-rich inclusions

    NASA Astrophysics Data System (ADS)

    Murrell, M. T.; Burnett, D. S.

    1987-04-01

    Fission track radiography is used to investigate the U and Th microscale distribution in a set of Allende-meteorite Ca-Al-rich inclusions. In the Type B inclusions, the major phases melilite and fassaite are important actinide host phases, and on the rims of Type B inclusions and throughout all other inclusions studied, perovskite is the dominant actinide host phase. Results suggest that neither alteration nor loss or gain of an actinide-rich phase appears to have been an important Th/U fractionation mechanism, and that volatility differences may be the dominant factor. Th/U and rare earth element abundance patterns for the spinel and perovskite rim suggest rim formation by volatilization of interior material, and within the constraints of the brief time scale required for this heating, several mechanisms for spinel-perovskite rim formation are possible.

  19. Actinide chemistry in Allende Ca-Al-rich inclusions

    NASA Technical Reports Server (NTRS)

    Murrell, M. T.; Burnett, D. S.

    1987-01-01

    Fission track radiography is used to investigate the U and Th microscale distribution in a set of Allende-meteorite Ca-Al-rich inclusions. In the Type B inclusions, the major phases melilite and fassaite are important actinide host phases, and on the rims of Type B inclusions and throughout all other inclusions studied, perovskite is the dominant actinide host phase. Results suggest that neither alteration nor loss or gain of an actinide-rich phase appears to have been an important Th/U fractionation mechanism, and that volatility differences may be the dominant factor. Th/U and rare earth element abundance patterns for the spinel and perovskite rim suggest rim formation by volatilization of interior material, and within the constraints of the brief time scale required for this heating, several mechanisms for spinel-perovskite rim formation are possible.

  20. Angle-dependent photovoltaic effect in Al-Si multilayers

    NASA Astrophysics Data System (ADS)

    Kyarad, A.; Lengfellner, H.

    2005-10-01

    Al-Si multilayer stacks have been prepared by an alloying process from aluminum and silicon platelets. Irradiation of a stack with infrared to visible laser radiation generates photovoltaic signals depending on the angle of incidence of the laser beam with respect to the layer planes, with zero signal and a polarity reversal for beam and layers in parallel. Results are explained in terms of photoactive layers connected in series and symmetrically aligned along the stack axis. For light beams inclined with respect to the layer planes, asymmetry is introduced by fractional shadowing of photoactive regions due to the intransparent metallic layers.

  1. Phase Composition and Hardening of Castable Al - Ca - Ni - Sc Alloys Containing 0.3% Sc

    NASA Astrophysics Data System (ADS)

    Belov, N. A.; Naumova, E. A.; Bazlova, T. A.; Doroshenko, V. V.

    2017-05-01

    The phase composition of aluminum alloys of the Al - Ca - Ni - Sc system containing 0.3 wt.% Sc is studied. It is shown that the aluminum solid solution may be in equilibrium not only with binary phases (Al4Ca, Al3Sc and Al3Ni) but also with a ternary Al9NiCa compound. The temperature of attainment of maximum hardening due to precipitation of nanoparticles of phase Al3Sc is determined for all the alloys studied. Principal possibility of creation of castable alloys based on an (Al) + Al4Ca + Al9NiCa eutectic, the hardening heat treatment of which does not require quenching, is substantiated.

  2. Anisotropic Responses of Mechanical and Thermal Processed Cast Al-Si-Mg-Cu Alloy

    NASA Astrophysics Data System (ADS)

    Adeosun, S. O.; Akpan, E. I.; Balogun, S. A.; Onoyemi, O. K.

    2015-05-01

    The effects of ambient directional rolling and heat treatments on ultimate tensile strength (UTS), hardness (HD), percent elongation (PE), and impact energy (IE) on Al-Si-Mg-Cu alloy casting with reference to inclination to rolling direction are discussed in this article. The results show that rolled and quenched (CQ) sample possess superior UTS and HD to as-cast and those of rolled and aged samples (CA). Improved IE resistance with ductility is shown by both CQ and CA samples. However, these mechanical properties are enhanced as changes in the test sample direction moved away from rolling direction for all heat-treated samples. The CQ samples displayed highest tensile strength (108 MPa) and PE (19.8%) in the 90° direction.

  3. Influence of SiO2 in SiCp on the microstructure and impact strength of Al/SiCp composites fabricated by pressureless infiltration

    NASA Astrophysics Data System (ADS)

    Pech-Canul, M. I.; Ortega-Celaya, F.; Pech-Canul, M. A.

    2006-05-01

    The effect of SiO2 in SiCp and the following processing parameters on the microstructure and impact strength of Al/SiCp composites fabricated by pressureless infiltration was investigated: Mg content in the aluminum alloy, SiC particle size, and holding time. Preforms of SiCp in the form of rectangular bars (10 × 1 × 1 cm) were infiltrated at 1150°C in an argon→nitrogen atmosphere for 45 and 60 min by utilizing two aluminum alloys (Al-6 Mg-11 Si and Al-9 Mg-11 Si, wt.%). The results obtained show that the presence of SiO2 in SiC affects the microstructure and impact strength of the composites significantly. When Al4C3 is formed, the impact strength decreases. However, a high proportion of SiC to SiO2 limits the formation of the unwanted Al4C3 phase in the composites. Also, a higher content of Mg in the Al alloy lowers the residual porosity and, consequently, increases the composite strength. The impact strength grows with decrease in SiC particle size and increases considerably when the residual porosity is less than 1%.

  4. A declaration of independence for Mg/Si. [Al/Si intensity ratio predictive usefulness for Mg/Si intensity ratio in lunar X-ray fluorescence

    NASA Technical Reports Server (NTRS)

    Hubbard, N.; Keith, J. E.

    1978-01-01

    The weak covariation that exists between Al/Si and Mg/Si for large areas of the lunar surface is little, if any, stronger than that forced on a random set of numbers that are subject to closure. The Mg and Al variations implied by the Mg/Si and Al/Si intensity ratio data are qualitatively like those seen in lunar soil sample data. Two petrogenetic provinces are suggested for terra materials; one appears to have 50% higher Mg values than the other. Using the improved data, Mg/Si variations can be studied at a signal-to-noise ratio greater than 5/1.

  5. Formation Mechanism of 2CaO·SiO2 and 3CaO·P2O5 Solid Solution in CaO-SiO2-FetO-P2O5 Slags

    NASA Astrophysics Data System (ADS)

    Dou, Xiaofei; Zhu, Mingmei; Lin, Tiancheng; Wang, Yu; Xie, Bin; Zhu, Bin; Zhou, Hong

    In this study, the formation of 2CaO·SiO2 and 3CaO·P2O5 solid solution (nC2S-C3P) in hot metal dephosphorization process is discussed. The variations of CaO and SiO2 mass, both in nC2S-C3P solid solution phase and liquid slag phase with increasing P2O5 mass in CaO-SiO2-FetO-P2O5 slags were calculated using Factsage software. CaO-SiO2-FeOt-P2O5 slag containing up to 18 % P2O5 was melted at 1823 K then cooled to 1673 K. The contents of CaO and SiO2 both in the solid solution phase and liquid slag phase of quenched samples were observed and analyzed by SEM/EDS. Both the calculated and experimental results show that the contents of CaO and SiO2 in the solid solution phase decreased, just opposite in the liquid slag phase, with increasing P2O5 content in the slags. Formation mechanism of nC2S-C3P solid solution in the slags was derived based on the ionic structure theory of molten slag. The SiO44- in the nC2S-C3P solid solution can be replaced by PO43- in the liquid phase resulting in the increasing of free Ca2+ and SiO44- in liquid phase.

  6. Analysis Si/Al ratio in zeolites type FAU by laser induced breakdown spectroscopy (LIBS)

    NASA Astrophysics Data System (ADS)

    Contreras, W. A.; Cabanzo, R.; Mejía-Ospino, E.

    2011-01-01

    In this work, Laser Induced Breakdown Spectroscopy (LIBS) is used to determine the Si/Al ratio of Zeolite type Y. The catalytic activity of zeolite is strongly dependent of the Si/Al ratio. We have used Si lines in the spectral region between 245-265 nm to determine temperature of the plasma generated on pelletized sample of zeolite, and stoichiometry relation between Si and Al.

  7. Electronic structure and bonding in ternary Zintl phases: LiAlSi

    NASA Astrophysics Data System (ADS)

    Christensen, N. E.

    1985-11-01

    The volume dependence of the total energy of LiAlSi compounds in three hypothetical cubic cF12 structures with F4¯3m symmetry are calculated within the local-density approximation. Predictions of structural stability agree with observations. The bonding in the stable structure, where Al and Si form a zinc-blende substructure and Li and Al are arranged in a NaCl substructure, is characterized by strong covalent Al-Si bonds. The band structure is very similar to that of pure Si. Trends in the calculated physical properties of the series, Si, LiAlSi, LiAl, are discussed. Structural phase transitions and insulator-metal-insulator transitions in LiAlSi under pressure are predicted.

  8. Microstructure and properties of an Al-Ti-Cu-Si brazing alloy for SiC-metal joining

    NASA Astrophysics Data System (ADS)

    Dai, Chun-duo; Ma, Rui-na; Wang, Wei; Cao, Xiao-ming; Yu, Yan

    2017-05-01

    An Al-Ti-Cu-Si solid-liquid dual-phase alloy that exhibits good wettability and appropriate interfacial reaction with SiC at 500-600°C was designed for SiC-metal joining. The microstructure, phases, differential thermal curves, and high-temperature wetting behavior of the alloy were analyzed using scanning electron microscopy, X-ray diffraction analysis, differential scanning calorimetry, and the sessile drop method. The experimental results show that the 76.5Al-8.5Ti-5Cu-10Si alloy is mainly composed of Al-Al2Cu and Al-Si hypoeutectic low-melting-point microstructures (493-586°C) and the high-melting-point intermetallic compound AlTiSi (840°C). The contact angle, determined by high-temperature wetting experiments, is approximately 54°. Furthermore, the wetting interface is smooth and contains no obvious defects. Metallurgical bonding at the interface is attributable to the reaction between Al and Si in the alloy and ceramic, respectively. The formation of the brittle Al4C3 phase at the interface is suppressed by the addition of 10wt% Si to the alloy.

  9. Study on Reaction Mechanism of Reducing Dephosphorization of Fe-Ni-Si Melt by CaO-CaF2 Slag

    NASA Astrophysics Data System (ADS)

    Chen, Pei-Xian; Zhang, Guo-Hua; Chu, Shao-Jun

    2016-02-01

    In the present study, the dephosphorization of Fe-Ni-Si melt by CaO-saturated CaO-CaF2 slag was investigated, from which it was found that the dephosphorization efficiency increases as increasing the silicon content, meanwhile the increase rate becomes rapid when the silicon content is more than 10 mass pct. By analyzing the phase compositions of the dephosphorization slag of a high silicon Fe-Ni-Si melt, it was first found the dephosphorization products change with the silicon content. When Si contents are 10.5, 31.48, 34.71, and 43.15 mass pct, the de-P products are Ca2P2, Ca10+ x Si12-2 x P16, Ca4SiP4, and Ca10+ x Si12-2 x P16, as well as Ca4SiP4, respectively. The corresponding dephosphorization mechanism can be described as (2x)(CaO) + (x + 2y)[Si] + 2z[P] = x(SiO2 ) + 2(Cax Siy Pz ).

  10. Structural investigation of glasses along the MgSiO3-CaSiO3 join: Diffraction studies

    NASA Astrophysics Data System (ADS)

    Cormier, L.; Cuello, G. J.

    2013-12-01

    The structure of glasses along the MgSiO3-CaSiO3 join has been investigated by X-ray and neutron diffraction measurements. Structure models were constructed by fitting the experimental data using the Reverse Monte Carlo method (RMC). The structural data indicate a random mixing between MgSiO3 and CaSiO3 glasses, in accordance with their melt properties. Though important disordering is observed, the structure evolves continuously along the join. The Ca environment is essentially similar for all compositions, with an average of 6 to 7-coordinated sites. The Mg environment tends to have higher coordinated sites as the MgO content decreases. There is a continuous mixing of Ca-Mg pairs with a non-random distribution emphasized by the distinct cation-cation distances. Changes were observed in the topology of the silicate network. The proportion of non-bridging oxygens decreases, the number of free-oxygens increases and the ring size distribution is shifted to high-membered rings in the Mg-rich glasses. These structural investigations indicate important differences with the crystalline pyroxene structures.

  11. Dopant species with Al-Si and N-Si bonding in the MOCVD of AlN implementing trimethylaluminum, ammonia and silane

    NASA Astrophysics Data System (ADS)

    dos Santos, R. B.; Rivelino, R.; de Brito Mota, F.; Gueorguiev, G. K.; Kakanakova-Georgieva, A.

    2015-07-01

    We have investigated gas-phase reactions driven by silane (SiH4), which is the dopant precursor in the metalorganic chemical vapor deposition (MOCVD) of aluminum nitride (AlN) doped by silicon, with prime focus on determination of the associated energy barriers. Our theoretical strategy is based on combining density-functional methods with minimum energy path calculations. The outcome of these calculations is suggestive for kinetically plausible and chemically stable reaction species with Al-Si bonding such as (CH3)2AlSiH3 and N-Si bonding such as H2NSiH3. Within this theoretical perspective, we propose a view of these reaction species as relevant for the actual MOCVD of Si-doped AlN, which is otherwise known to be contributed by the reaction species (CH3)2AlNH2 with Al-N bonding. By reflecting on experimental evidence in the MOCVD of various doped semiconductor materials, it is anticipated that the availability of dopant species with Al-Si, and alternatively N-Si bonding near the hot deposition surface, can govern the incorporation of Si atoms, as well as other point defects, at the AlN surface.

  12. Effect of Chlorine on the Viscosities and Structures of CaO-SiO2-CaCl2 Slags

    NASA Astrophysics Data System (ADS)

    Wang, Cui; Zhang, Jianliang; Liu, Zhengjian; Jiao, Kexin; Wang, Guangwei; Yang, Junqiang; Chou, Kuochih

    2017-02-01

    The viscosities of CaO-SiO2-CaCl2 (CaO/SiO2 = 1.12) slags were measured to elucidate the effect of chlorine with CaCl2 content from 0 to 15 mass pct on the slags at high temperatures, and the Raman spectra of the glassy slags were detected to account for the role of chlorine in modifying the structures of the slags. The viscosity was found to increase with decreasing temperature and to decrease with increasing chlorine content at a given temperature. The critical temperature ( T CR) decreased from about 1675 K to 1621 K (1402 °C to 1348 °C) with increasing CaCl2 content from 5 to 15 mass pct, and the activation energy decreased from 226 to 152 kJ/mol with CaCl2 content increasing from 0 to 15 mass pct. Meanwhile, the Raman spectra gradually shifted to lower wavenumber, the fractions of Q 0 and Q 2 units increased and the Q 1 and Q 3 units decreased continuously, and the Q 3/ Q 2 ratio generally decreased with increasing the chlorine content in the investigated slags; all of these results above demonstrated the role of network modifier of the chlorine in decreasing the degree of polymerization in the silicon-oxygen tetrahedra.

  13. Phase relations in the greenschist-blueschist-amphibolite-eclogite facies in the system Na2O-CaO-FeO-MgO-Al2O3-SiO2-H2O (NCFMASH), with application to metamorphic rocks from Samos, Greece

    NASA Astrophysics Data System (ADS)

    Will, Thomas; Okrusch, Martin; Schmädicke, Esther; Chen, Guoli

    Calculated phase equilibria among the minerals sodic amphibole, calcic amphibole, garnet, chloritoid, talc, chlorite, paragonite, margarite, omphacite, plagioclase, carpholite, zoisite/clinozoisite, lawsonite, pyrophyllite, kyanite, sillimanite, quartz and H2O are presented for the model system Na2O-CaO-FeO-MgO-Al2O3-SiO2-H2O (NCFMASH), which is relevant for many greenschist, blueschist, amphibolite and eclogite facies rocks. Using the activity-composition relationships for multicomponent amphiboles constrained by Will and Powell (1992), equilibria containing coexisting calcic and sodic amphiboles could be determined. The blueschist-greenschist transition reaction in the NCFMASH system, for example, is defined by the univariant reaction sodic amphibole + zoisite=calcic amphibole + chlorite + paragonite + plagioclase (+ quartz + H2O) occurring between approximately 420 and 450°C at 9.5 to 10kbar. The calculated petrogenetic grid is a valuable tool for reconstructing the PT-evolution of metabasic rocks. This is shown for rocks from the island of Samos, Greece. On the basis of mineral and whole rock analyses, PT-pseudosections were calculated and, together with the observed mineral assemblages and reaction textures, are used to reconstruct PT-paths. For rocks from northern Samos, pseudomorphs after lawsonite preserved in garnet, the assemblage sodic amphibole-garnet-paragonite-chlorite-zoisite-quartz and the retrograde appearance of albitic plagioclase and the formation of calcic amphibole around sodic amphibole constrain a clockwise PT-path that reaches its thermal maximum at some 520°C and 19kbar. The derived PT-trajectory indicates cooling during exhumation of the rocks and is similar to paths for rocks from the western part of the Attic-Cycladic crystalline complex. Rocks from eastern Samos indicate lower pressures and are probably related to high-pressure rocks from the Menderes Massif in western Turkey.

  14. Silicate liquid-carbonatite liquid transition along the melting curve of model, vapor-saturated peridotite in the system CaO-MgO-Al2O3-SiO2-CO2 from 1.1 to 2 GPa

    NASA Astrophysics Data System (ADS)

    Keshav, Shantanu; Gudfinnsson, Gudmundur H.

    2013-07-01

    phase relations of carbon dioxide-saturated (CO2 vapor) model peridotite in the system CaO-MgO-Al2O3-SiO2-CO2 in the 1.1-2.1 GPa pressure range are reported. The solidus has a positive slope in pressure-temperature (PT) space from 1.1 to 2 GPa. Between 2 and 2.1 GPa, the melting curve changes to a negative slope. From 1.1 to 1.9 GPa, the liquid, best described as CO2-bearing silicate liquid, is in equilibrium with forsterite, orthopyroxene, clinopyroxene, spinel, and vapor. At 2 GPa, the same crystalline phase assemblage plus vapor is in equilibrium with two liquids, which are silicate and carbonatitic in composition, making the solidus at 2 GPa PT invariant. The presence of two liquids is interpreted as being due to liquid immiscibility. Melting reactions written over 1.1-1.9 GPa are peritectic, with forsterite being produced upon melting, and the liquid is silicate in composition. Upon melting at 2.1 GPa, orthopyroxene is produced, and the liquid is carbonatitic in composition. Hence, the invariance between 1.9 and 2.1 GPa is not only the reason for the dramatic change in the liquid composition over an interval of 0.2 GPa, but the carbonated peridotite solidus ledge itself most likely appears because of this PT invariance. It is suggested that because carbonatitic liquid is produced at the highest solidus temperature at 2 GPa in PT space in the system studied, such liquids, in principle, can erupt through liquid immiscibility, as near-primary magmas from depths of approximately 60 km.

  15. CsAlSi/sub 5/O/sub 12/: a possible host for /sup 137/Cs immobilization

    SciTech Connect

    Adl, T.; Vance, E.R.

    1982-03-31

    CsAlSi/sub 5/O/sub 12/ exhibits more acid resistance than pollucite (CsAlSi/sub 2/O/sub 6/). At pH values of 1.02 and 1.40, the extraction of Cs from CsAlSi/sub 5/O/sub 12/ at 25/sup 0/C was approximately proportional to the square root of leach time. The Cs extraction at 25/sup 0/C varied as (H/sup +/)/sup 0/ /sup 36/ over the pH range of 1 to 6. Also, the Cs extraction in various brines at 300/sup 0/C/30 MPa was comparable with that for pollucite. CsAlSi/sub 5/O/sub 12/ can be crystallized at about 1000/sup 0/C from calcines if a small amount of CaO is present, but in the absence of such sintering acids, crystallization temperatures of about 1400/sup 0/C are necessary. Compatibility data were also obtained with respect to several other phases with which CsAlSi/sub 5/O/sub 12/ might be expected to coexist in tailored ceramics designed for high-level defense waste.

  16. Precipitation of β-Al5FeSi Phase Platelets in Al-Si Based Casting Alloys

    NASA Astrophysics Data System (ADS)

    Liu, L.; Mohamed, A. M. A.; Samuel, A. M.; Samuel, F. H.; Doty, H. W.; Valtierra, S.

    2009-10-01

    The aim of the present work has been to investigate the factors affecting the precipitation of the β-Al5FeSi iron intermetallic phase of directionally solidified A356- and 319-type alloys as a function of the iron content, a Sr addition of ~250 ppm, and superheating or cooling rates. The iron levels selected varied from 0.12 to 0.8 wt pct and cover the range of Fe levels in commercial casting alloys. The use of an end-chill mold provided different cooling rates along the height of the same casting, with dendritic arm spacing values that varied from ~15 to 85 μm, corresponding to levels of 5, 10, 30, 50, and 100 mm above the chill end. The microstructure and phase identification were monitored using optical microscopy, scanning electron microscopy (SEM), thermal analysis, and electron probe microanalysis (EPMA) techniques. An image analyzer was used in conjunction with the optical microscope for quantification purposes. The results showed that, for the range of cooling rates covered in the present study, the highest cooling rate (at a 5-mm distance from the chill) is the more significant parameter in controlling the size and distribution of the β-Al2FeSi intermetallic phase in the nonmodified 319 and 356 alloys. The addition of strontium leads to fragmentation of coeutectic or posteutectic β platelets. This effect diminishes with an increase in the iron concentration, and further strontium addition leads to the precipitation of Al2Si2Sr phase particles, instead.

  17. Enthalpies of formation of CaAl4O7 and CaAl12O19 (hibonite) by high temperature, alkali borate solution calorimetry

    NASA Technical Reports Server (NTRS)

    Geiger, C. A.; Kleppa, O. J.; Grossman, L.; Mysen, B. O.; Lattimer, J. M.

    1988-01-01

    Enthalpies of formation were determined for two calcium aluminate phases, CaAl4O7 and CaAl12O19, using high-temperature alkali borate solution calorimetry. The aluminates were synthesized by multiple-cycle heating and grinding stoichiometric mixtures of CaCO3 and Al2O3, and the products were characteized by X-ray diffraction and SEM microbeam analysis. The data on impurities (CaAl4O7 was found to be about 89.00 percent pure by weight and the CaAl12O19 samples about 91.48 percent pure) were used to correct the heat of solution values of the synthetic products. The enthalpies of formation, at 1063 K, from oxides, were found to be equal to -(25.6 + or - 4.7) kJ/g.f.w. for CaAl4O7 and -(33.0 + or - 9.7) kJ/g.f.w. for CaAl12O19; the respective standard enthalpies of formation from elements, at 298 K, were estimated to be -4007 + or - 5.2 kJ/g.f.w. and -10,722 + or - 12 kJ/g.f.w.

  18. Enthalpies of formation of CaAl4O7 and CaAl12O19 (hibonite) by high temperature, alkali borate solution calorimetry

    NASA Technical Reports Server (NTRS)

    Geiger, C. A.; Kleppa, O. J.; Grossman, L.; Mysen, B. O.; Lattimer, J. M.

    1988-01-01

    Enthalpies of formation were determined for two calcium aluminate phases, CaAl4O7 and CaAl12O19, using high-temperature alkali borate solution calorimetry. The aluminates were synthesized by multiple-cycle heating and grinding stoichiometric mixtures of CaCO3 and Al2O3, and the products were characteized by X-ray diffraction and SEM microbeam analysis. The data on impurities (CaAl4O7 was found to be about 89.00 percent pure by weight and the CaAl12O19 samples about 91.48 percent pure) were used to correct the heat of solution values of the synthetic products. The enthalpies of formation, at 1063 K, from oxides, were found to be equal to -(25.6 + or - 4.7) kJ/g.f.w. for CaAl4O7 and -(33.0 + or - 9.7) kJ/g.f.w. for CaAl12O19; the respective standard enthalpies of formation from elements, at 298 K, were estimated to be -4007 + or - 5.2 kJ/g.f.w. and -10,722 + or - 12 kJ/g.f.w.

  19. Electromigration failure in Al-Si-1% thin film

    NASA Astrophysics Data System (ADS)

    Vasconcelos, Wander L.; Mansur, Herman S.

    The electromigration failure mechanism of sputtered deposited Al-Si-1% metal films was studied using an integrated circuit device designed according to CMOS technology. The tests were conducted employing current densities in the range of 1.0-2.0 × 106 A/cm2 and temperatures of 100-200°C. The failure mechanism showed a lognormal distribution and an activation energy of 0.54 ± 0.15 eV was obtained. SEM analysis showed void regions and material depletion, which were responsible for the current flow interruption. An exponential reduction of the median-time-to-failure (T50) was observed with the increasing of the metal strip temperature. We found an inverse dependence of T50 and current density on the power of `n', which presented an average value of 1.1. Samples of the Al-Si-1% film submitted to XRD analysis showed a preferred orientation on the (111) direction, compared to the (200), indicating a columnar texture of the film.

  20. Property Criteria for Automotive Al-Mg-Si Sheet Alloys.

    PubMed

    Prillhofer, Ramona; Rank, Gunther; Berneder, Josef; Antrekowitsch, Helmut; Uggowitzer, Peter J; Pogatscher, Stefan

    2014-07-04

    In this study, property criteria for automotive Al-Mg-Si sheet alloys are outlined and investigated in the context of commercial alloys AA6016, AA6005A, AA6063 and AA6013. The parameters crucial to predicting forming behavior were determined by tensile tests, bending tests, cross-die tests, hole-expansion tests and forming limit curve analysis in the pre-aged temper after various storage periods following sheet production. Roping tests were performed to evaluate surface quality, for the deployment of these alloys as an outer panel material. Strength in service was also tested after a simulated paint bake cycle of 20 min at 185 °C, and the corrosion behavior was analyzed. The study showed that forming behavior is strongly dependent on the type of alloy and that it is influenced by the storage period after sheet production. Alloy AA6016 achieves the highest surface quality, and pre-ageing of alloy AA6013 facilitates superior strength in service. Corrosion behavior is good in AA6005A, AA6063 and AA6016, and only AA6013 shows a strong susceptibility to intergranular corrosion. The results are discussed below with respect to the chemical composition, microstructure and texture of the Al-Mg-Si alloys studied, and decision-making criteria for appropriate automotive sheet alloys for specific applications are presented.

  1. Property Criteria for Automotive Al-Mg-Si Sheet Alloys

    PubMed Central

    Prillhofer, Ramona; Rank, Gunther; Berneder, Josef; Antrekowitsch, Helmut; Uggowitzer, Peter J.; Pogatscher, Stefan

    2014-01-01

    In this study, property criteria for automotive Al-Mg-Si sheet alloys are outlined and investigated in the context of commercial alloys AA6016, AA6005A, AA6063 and AA6013. The parameters crucial to predicting forming behavior were determined by tensile tests, bending tests, cross-die tests, hole-expansion tests and forming limit curve analysis in the pre-aged temper after various storage periods following sheet production. Roping tests were performed to evaluate surface quality, for the deployment of these alloys as an outer panel material. Strength in service was also tested after a simulated paint bake cycle of 20 min at 185 °C, and the corrosion behavior was analyzed. The study showed that forming behavior is strongly dependent on the type of alloy and that it is influenced by the storage period after sheet production. Alloy AA6016 achieves the highest surface quality, and pre-ageing of alloy AA6013 facilitates superior strength in service. Corrosion behavior is good in AA6005A, AA6063 and AA6016, and only AA6013 shows a strong susceptibility to intergranular corrosion. The results are discussed below with respect to the chemical composition, microstructure and texture of the Al-Mg-Si alloys studied, and decision-making criteria for appropriate automotive sheet alloys for specific applications are presented. PMID:28788119

  2. Hydrogen induced passivation of Si interfaces by Al2O3 films and SiO2/Al2O3 stacks

    NASA Astrophysics Data System (ADS)

    Dingemans, G.; Beyer, W.; van de Sanden, M. C. M.; Kessels, W. M. M.

    2010-10-01

    The role of hydrogen in Si surface passivation is experimentally identified for Al2O3 (capping) films synthesized by atomic layer deposition. By using stacks of SiO2 and deuterated Al2O3, we demonstrate that hydrogen is transported from Al2O3 to the underlying SiO2 already at relatively low annealing temperatures of 400 °C. This leads to a high level of chemical passivation of the interface. Moreover, the thermal stability of the passivation up to 800 °C was significantly improved by applying a thin Al2O3 capping film on the SiO2. The hydrogen released from the Al2O3 film favorably influences the passivation of Si interface defects.

  3. Plant diversity and functional groups affect Si and Ca pools in aboveground biomass of grassland systems.

    PubMed

    Schaller, Jörg; Roscher, Christiane; Hillebrand, Helmut; Weigelt, Alexandra; Oelmann, Yvonne; Wilcke, Wolfgang; Ebeling, Anne; Weisser, Wolfgang W

    2016-09-01

    Plant diversity is an important driver of nitrogen and phosphorus stocks in aboveground plant biomass of grassland ecosystems, but plant diversity effects on other elements also important for plant growth are less understood. We tested whether plant species richness, functional group richness or the presence/absence of particular plant functional groups influences the Si and Ca concentrations (mmol g(-1)) and stocks (mmol m(-2)) in aboveground plant biomass in a large grassland biodiversity experiment (Jena Experiment). In the experiment including 60 temperate grassland species, plant diversity was manipulated as sown species richness (1, 2, 4, 8, 16) and richness and identity of plant functional groups (1-4; grasses, small herbs, tall herbs, legumes). We found positive species richness effects on Si as well as Ca stocks that were attributable to increased biomass production. The presence of particular functional groups was the most important factor explaining variation in aboveground Si and Ca stocks (mmol m(-2)). Grass presence increased the Si stocks by 140 % and legume presence increased the Ca stock by 230 %. Both the presence of specific plant functional groups and species diversity altered Si and Ca stocks, whereas Si and Ca concentration were affected mostly by the presence of specific plant functional groups. However, we found a negative effect of species diversity on Si and Ca accumulation, by calculating the deviation between mixtures and mixture biomass proportions, but in monoculture concentrations. These changes may in turn affect ecosystem processes such as plant litter decomposition and nutrient cycling in grasslands.

  4. Post-stishovite transition in AlOOH-incorporated SiO2

    NASA Astrophysics Data System (ADS)

    Kawamura, K.; Umemoto, K.; Wentzcovitch, R. M.; Hirose, K.

    2010-12-01

    In 2007, Lakshtanov et al. [Proc. Nat. Acad. Sci. 104, 13588 (2007)] demonstrated that the incorporation of AlOOH into SiO2 significantly reduces the transition pressure between stishovite and CaCl2-type phases. In the present paper, we investigate theoretically the effect of hydrogen (and aluminum) on this transition. First-principles calculations show that aluminum has no effect on the transition pressure. However, hydrogen bonds play a crucial role, suggesting that a cooperative redistribution of hydrogens aids the post-stishovite transition. Large-scale molecular dynamics simulations using model potentials confirm this effect and reveal the nature of the hydrogen motion. This effect produces a strong temperature dependence on the transition pressure and should make the latter sensitive to hydrogen content in the material. This work was supported by NSF under ATM-0428774 (VLab), EAR-0757903, and EAR-1019853. The computations were performed at the Minnesota Supercomputing Institute (MSI).

  5. Calcio-olivine γ-Ca2SiO4: I. Rietveld refinement of the crystal structure

    NASA Astrophysics Data System (ADS)

    Gobechiya, E. R.; Yamnova, N. A.; Zadov, A. E.; Gazeev, V. M.

    2008-05-01

    The structure of the natural mineral calcio-olivine (γ-Ca2SiO4) found in skarn xenoliths in the region of the Lakargi Mountain (North Caucasus, Kabardino-Balkaria, Russia) is refined by the Rietveld method [ a = 5.07389(7) Å, b = 11.21128(14) Å, c = 6.75340(9) Å, V = 384.170(5) Å3, Z = 4, ρcalcd = 2.98 g/cm3, space group Pbnm]. The X-ray diffraction pattern of a powdered sample is recorded on a STOE STADI MP diffractometer [λCu K α1; Ge(111) primary monochromator; 6.00° < 2θ < 100.88°; step width, 2.5° in 2θ; number of reflections, 224]. All calculations are performed with the WYRIET (version 3.3) software package. The structural model is refined in the anisotropic approximation to R p = 6.44, R wp = 8.52, R exp = 5.85, R B = 4.98, R F = 6.90, and s = 1.46. It is shown that the sample under investigation is a mixture of several mineral phases, among which calcio-olivine (the natural analogue of the γ-Ca2SiO4 compound) (83%), hillebrandite (13%), and wadalite (4%) are dominant. Only the scale factors and the unit cell parameters are refined for hillebrandite Ca2SiO3(OH)2 [ a = 3.63472(16) Å, b = 16.4140(10) Å, c = 11.7914(8) Å, space group Cmc21, Z = 6] and wadalite Ca6Al5Si2O16Cl3 ( a = 12.0088 Å, space group, I bar 4 3 d Z = 4). The results of the structure refinement of the main component of the sample confirm that the mineral calcio-olivine is isostructural to the synthetic compound γ-Ca2SiO4. The structure of this compound is formed by the heteropolyhedral framework composed of Ca octahedra joined together into olivine-like ribbons and isolated Si tetrahedra.

  6. Effect of SiC interlayer between Ti6Al4V alloy and hydroxyapatite films.

    PubMed

    Azem, Funda Ak; Birlik, Isil; Braic, Viorel; Toparli, Mustafa; Celik, Erdal; Parau, Anca; Kiss, Adrian; Titorencu, Irina; Vladescu, Alina

    2015-04-01

    Bioactive coatings are frequently used to improve the osseointegration of the metallic implants used in dentistry or orthopaedics. Among different types of bioactive coatings, hydroxyapatite (Ca10(PO4)6(OH)2) is one of the most extensively used due to its chemical similarities to the components of bones and teeth. In this article, production and characterization of hydroxyapatite films deposited on Ti6Al4V alloy prepared by magnetron sputtering were reported. Besides, SiC was deposited on substrate surface to study the interlayer effect. Obtained coatings were annealed at 600 °C for 30 and 120 min in a mixed atmosphere of N2 + H2O vapours with the heating rate of 12 °C min(-1). The effects of SiC interlayer and heat treatment parameters on the structural, mechanical and corrosion properties were investigated. After heat treatment process, the crystalline hydroxyapatite was obtained. Additionally, cell viability tests were performed. The results show that the presence of the SiC interlayer contributes a decrease in surface roughness and improves the mechanical properties and corrosion performance of the hydroxyapatite coatings. Biological properties were not affected by the presence of the SiC interlayer.

  7. The effect of strontium incorporation into CaSiO3 ceramics on their physical and biological properties.

    PubMed

    Wu, Chengtie; Ramaswamy, Yogambha; Kwik, Danielle; Zreiqat, Hala

    2007-07-01

    CaSiO3 ceramics have been regarded as a potential bioactive material for bone regeneration. Strontium (Sr) as a trace element in human body has been found to have beneficial effects on bone formation. The aim of this study was to incorporate Sr into CaSiO3 bioactive ceramics and to investigate their effect(s) on phase transition, sintering property, apatite-formation ability, ionic dissolution, and human bone-derived cells (HBDC) proliferation. Sr containing CaSiO3 (Sr-CaSiO3) ceramics at various concentrations (0-10% Sr) were prepared. The incorporation of Sr into CaSiO3 promoted the phase transition from beta to alpha-CaSiO3 and enhanced ceramic densification but did not alter the mechanism and ability of apatite formation in SBF. The ionic dissolution rate of the Sr-CaSiO3 decreased compared to the CaSiO3. The addition of Sr decreased pH value in SBF. The effect of Sr-CaSiO3 extracts, carried out according to the International Standard Organization, on HBDC proliferation was evaluated. At high extract concentration (100 and 200 mg/mL), CaSiO3 was found to stimulate HBDC proliferation, however, the incorporation of Sr into CaSiO3 stimulated HBDC proliferation even at low extract concentration (ranging from 12.5, 25 to 50 mg/mL). Our results indicate that Sr-CaSiO3 ceramics improved the physical and biological properties of the pure CaSiO3 ceramics.

  8. Positron annihilation study on the effect of Si-content on the recovery of deformed cast Al-Si alloys

    NASA Astrophysics Data System (ADS)

    El-Gamal, S.

    2013-09-01

    Isochronal annealing of Al-1100 and cast Al-Si alloys (Si-content 2, 4, 6 and 8 wt%) after deformation of 66% thickness reduction was investigated between room temperature (RT) and 500 °C. The annealing of defects was studied using Doppler Broadening Spectroscopy (DBS), Total Strain (εT) and Scanning Electron Microscope (SEM). It was found that; (i) three annealing stages of microstructure have been identified for Al-1100 and Al-Si alloys which are related to recovery, partial recrystallization and complete recrystallization (ii) the interaction between Si-precipitates and dislocations in Al-Si alloys leads to higher values of normalized line shape parameter (Snor) and lower values of εT than those for Al-1100 alloy also, it retarded the recovery and recrystallization with temperature (iii) the S-W plot revealed the presence of one type of defects in Al-1100 alloy but in Al-Si alloys the slope of the trajectory changes, which may indicate the occurrence of another defect type (Si-dislocation interaction) (iv) a negative correlation is observed between εT and Snor while a positive correlation between εT and normalized wing parameter (Wnor) is obvious.

  9. Ostwald ripening of faceted Si particles in an Al-Si-Cu melt

    SciTech Connect

    Shahani, A. J.; Xiao, X.; Skinner, K.; Peters, M.; Voorhees, P. W.

    2016-07-04

    The microstructural evolution of an Al-Si-Cu alloy during Ostwald ripening is imaged via synchrotron-based, four-dimensional (i.e., space and time resolved) X-ray tomography. Samples of composition Al-32 wt%Si-15 wt%Cu were annealed isothermally at 650 °C, in the two-phase solid-liquid regime, while tomographic projections were collected in situ over the course of five hours. Advances in experimental methods and computational approaches enable us to characterize the local interfacial curvatures and velocities during ripening. The sequence of three-dimensional reconstructions and interfacial shape distributions shows highly faceted Si particles in a copper-enriched liquid, that become increasingly isotropic or rounded over time. In addition, we find that the coarsening rate constant is approximately the same in the binary and ternary systems. By coupling these experimental measurements with CALPHAD modeling and ab initio molecular dynamics simulation, we assess the influence of Cu on the coarsening process. Lastly, we find the unusual “pinning” of microstructure at the junction between rough and smooth interfaces and suggest a mechanism for this behavior.

  10. Ostwald ripening of faceted Si particles in an Al-Si-Cu melt

    DOE PAGES

    Shahani, A. J.; Xiao, X.; Skinner, K.; ...

    2016-07-04

    The microstructural evolution of an Al-Si-Cu alloy during Ostwald ripening is imaged via synchrotron-based, four-dimensional (i.e., space and time resolved) X-ray tomography. Samples of composition Al-32 wt%Si-15 wt%Cu were annealed isothermally at 650 °C, in the two-phase solid-liquid regime, while tomographic projections were collected in situ over the course of five hours. Advances in experimental methods and computational approaches enable us to characterize the local interfacial curvatures and velocities during ripening. The sequence of three-dimensional reconstructions and interfacial shape distributions shows highly faceted Si particles in a copper-enriched liquid, that become increasingly isotropic or rounded over time. In addition, wemore » find that the coarsening rate constant is approximately the same in the binary and ternary systems. By coupling these experimental measurements with CALPHAD modeling and ab initio molecular dynamics simulation, we assess the influence of Cu on the coarsening process. Lastly, we find the unusual “pinning” of microstructure at the junction between rough and smooth interfaces and suggest a mechanism for this behavior.« less

  11. The Mechanical Strength of Si Foams in the Mushy Zone during Solidification of Al-Si Alloys.

    PubMed

    Lim, Jeon Taik; Youn, Ji Won; Seo, Seok Yong; Kim, Ki Young; Kim, Suk Jun

    2017-03-24

    The mechanical strength of an Al-30% Si alloy in the mushy zone was estimated by using a novel centrifugation apparatus. In the apparatus, the alloy melt was partially solidified, forming a porous structure made of primary Si platelets (Si foam) while cooling. Subsequently, pressure generated by centrifugal force pushed the liquid phase out of the foam. The estimated mechanical strength of the Si foam in the temperature range 850-993 K was very low (62 kPa to 81 kPa). This is about two orders of magnitude lower than the mechanical strength at room temperature as measured by compressive tests. When the centrifugal stress was higher than the mechanical strength of the foam, the foam fractured, and the primary Si crystallites were extracted along with the Al-rich melt. Therefore, to maximize the centrifugal separation efficiency of the Al-30% Si alloy, the centrifugal stress should be in the range of 62-81 kPa.

  12. Simulation Study of Al-1Mn/Al-10Si Circular Clad Ingots Prepared by Direct Chill Casting

    NASA Astrophysics Data System (ADS)

    Wu, Li; Kang, Huijun; Chen, Zongning; Fu, Ying; Wang, Tongmin

    2016-02-01

    A modified direct chill casting process based on Novelis FusionTM Technology co-casting process was used recently to prepare Al-1Mn/Al-10Si circular clad ingots. In the current study, a comprehensive simulation model was developed to investigate the direct chill casting process for preparing the Al-1Mn/Al-10Si circular clad ingots, and a parametric study and experimental research of the direct chill casting process was conducted to explore potential success and failure casting conditions. The simulation results revealed the bonding mechanism of the Al-1Mn/Al-10Si interface in the direct chill casting process and identified the effect of certain parameters on casting performance. The results indicated that the effect of casting speed and Al-1Mn casting temperature on the variations of the minimum solid fraction of Al-1Mn at the interface is stronger than that of cooling water flow rate in inner mold, while Al-10Si casting temperature is the weakest of the four casting parameters. The corresponding experimental results verified that Al-1Mn/Al-10Si circular clad ingot with acceptable metallurgical bonding can be successfully prepared by direct chill casting process under the proper casting parameters. The thickness of diffusion zone is about 40 μm, and the fractured position in tensile test was located in the Al-1Mn alloy side which indicated the strength of the interfacial region is higher than that of Al-1Mn alloy.

  13. Structure and wear behavior of AlCrSiN-based coatings

    NASA Astrophysics Data System (ADS)

    Chen, Yun; Du, Hao; Chen, Ming; Yang, Jun; Xiong, Ji; Zhao, Haibo

    2016-05-01

    AlCrN, AlCrSiCN, AlCrSiN/MoN, and AlCrSiN/NbN coatings have been deposited on high-polished WC-Co cemented carbide substrate and tools by mid-frequency magnetron sputtering in Ar/N2 mixtures. Al0.6Cr0.4, Al0.6Cr0.3Si0.1, and C/Mo/Nb targets were used during the deposition. The microstructure and mechanical properties of as-deposited coatings were investigated. Investigations of the wear behaviors of coated tools were also performed. The results showed that cubic structure was formed in the coatings. Broader CrAlN (1 1 1) and (2 0 0) peaks without SiNx peak were formed in the AlCrSiN/MexN coatings, which showed a nanocomposited structure. Meanwhile, according to SEM micrographs, AlCrN exhibited a columnar structure, while, AlCrSiCN, AlCrSiN/MoN, and AlCrSiN/NbN coatings showed nanocrystalline morphology. The nano-multilayered coatings performed higher hardness, H/E, and H3/E2 ratios compared with AlCrN coating. Through the Rockwell adhesion test, all the coatings exhibited adhesion strength quality HF1. After turning Inconel 718 under dry condition, the nano-multilyered coatings showed better wear resistance than AlCrN coating. Due to the molybdenum and niobium in the coating, AlCrSiN/MoN and AlCrSiN/NbN coatings showed the best wear resistance.

  14. Lateral photovoltaic measurements of electrical properties of SiAl:H/n-type Si structures

    NASA Astrophysics Data System (ADS)

    Shikama, T.; Okada, Y.; Hamana, T.; Niu, H.; Matsuda, T.; Takai, M.

    1984-12-01

    A modified lateral photovoltaic method is developed to measure p-n junction characteristics as exemplified by those of the junction formed by an amorphous-microcrystalline SiAl:H film on a crystal Si. The junction is biased at a forward voltage, V, by uniform irradiation by a He-Ne/laser beam, and the lateral-photovoltage (LPV) induced by the laser beam is measured with a lock-in amplifier for various V. It is shown that I0 and m in the I-V equation of the junction, I = I0 exp (qV/mkT - 1), are determined with high accuracy when the leakage conductance at the periphery of a junction is reduced to a negligible value. If the leakage conductance is not negligible, its existence is confirmed by the LPV method.

  15. Evolution of Fe Bearing Intermetallics During DC Casting and Homogenization of an Al-Mg-Si Al Alloy

    NASA Astrophysics Data System (ADS)

    Kumar, S.; Grant, P. S.; O'Reilly, K. A. Q.

    2016-06-01

    The evolution of iron (Fe) bearing intermetallics (Fe-IMCs) during direct chill casting and homogenization of a grain-refined 6063 aluminum-magnesium-silicon (Al-Mg-Si) alloy has been studied. The as-cast and homogenized microstructure contained Fe-IMCs at the grain boundaries and within Al grains. The primary α-Al grain size, α-Al dendritic arm spacing, IMC particle size, and IMC three-dimensional (3D) inter-connectivity increased from the edge to the center of the as-cast billet; both α c-AlFeSi and β-AlFeSi Fe-IMCs were identified, and overall α c-AlFeSi was predominant. For the first time in industrial billets, the different Fe-rich IMCs have been characterized into types based on their 3D chemistry and morphology. Additionally, the role of β-AlFeSi in nucleating Mg2Si particles has been identified. After homogenization, α c-AlFeSi predominated across the entire billet cross section, with marked changes in the 3D morphology and strong reductions in inter-connectivity, both supporting a recovery in alloy ductility.

  16. Growing 3C-SiC heteroepitaxial layers on α-SiC substrate by vapour-liquid-solid mechanism from the Al-Ge-Si ternary system

    NASA Astrophysics Data System (ADS)

    Lorenzzi, Jean; Ferro, Gabriel; Cauwet, François; Souliere, Véronique; Carole, Davy

    2011-03-01

    In this work, we present and compare the results obtained from different Si-based melts (Ge-Si, Al-Si and Al-Ge-Si) for growing SiC layers on α-SiC substrate by vapour-liquid-solid (VLS) mechanism. It was found that, depending on melt composition, the deposit could be either a complete 3C or α-SiC layer or even a mixture of these polytypes. The binary Al-Si melt leads systematically to a highly p-type homoepitaxial α-SiC deposit while Ge-Si melt gives a non-intentional n-type doped layers of either 3C or 6H polytypes depending on growth conditions. However, highly p-type doped 3C heteroepitaxial deposit can be obtained if a small amount of Al is added to the Ge-Si binary liquid phase. This means that the VLS mechanism is very flexible and allows growing either n- or p-type SiC layers of 3C or 6H polytypes.

  17. Influence of SiC surface polarity on the wettability and reactivity in an Al/SiC system

    NASA Astrophysics Data System (ADS)

    Shen, Ping; Wang, Yi; Ren, Lihua; Li, Shixin; Liu, Yuhua; Jiang, Qichuan

    2015-11-01

    The wetting of (0 0 0 1) 6H-SiC single crystals by molten Al was investigated using a dispensed sessile drop method in a high vacuum at 973-1173 K. The wettability and reactivity in this system are sensitive to the surface polarity of SiC. The interfacial reaction on the Si-terminated surface is rapid. The formation of a continuous Al4C3 product layer at the interface leads to an equilibrium contact angle of 56 ± 1° at 1173 K. In comparison, the interfacial reaction on the C-terminated surface is sluggish. The interface is only partially covered by discrete Al4C3 platelets even after dwelling at 1173 K for 2 h. The final wettability, however, is much better (θF = 41 ± 1°) than that of the Si-terminated surface which was covered by a dense Al4C3 layer, suggesting that the formation of Al4C3 should not always contribute to the wetting in the Al/SiC system. A plausible explanation is that the clean (i.e., deoxidized) C-terminated surface should be well wetted by molten Al in nature, owing to the strong chemical interactions between liquid Al and the surface atoms of the C-terminated SiC. It is likely that the presence of the oxide film at the surface of the molten Al drop or the SiC substrate and the rapid formation of Al4C3, which prevent the establishment of a real Al/SiC interface, conceal the intrinsic wettability of this system.

  18. Influence of glass composition on secondary ion mass spectrometry instrumental mass fractionation for Si and Ca isotopic analyses.

    PubMed

    Tissandier, Laurent; Rollion-Bard, Claire

    2017-02-28

    In situ secondary ion mass spectrometry (SIMS) analysis requires the use of standards to unravel the instrumental mass fractionation (IMF) induced by the analytical procedures. Part of this IMF might be caused by the nature of the sample and the differences in composition and structure between the sample and the standards. This "matrix effect" has been tentatively corrected for by using standards with chemical compositions equivalent to the samples, or by the empirical use of chemical parameters. However, these corrections can only be applied to a narrow compositional range and fail to take proper account of the matrix effect when a wider chemical field is tested. We synthesized a series of glasses whose compositions span a very large part of the NCMAS (Na2 O-CaO-MgO-Al2 O3 -SiO2 ) system. Si and Ca isotopic analyses were performed on two ion microprobes (Cameca IMS-1270 and IMS-1280). The matrix effect observed may reach 20‰ between extreme compositions and cannot be accounted for by the previously used "chemical" parameters (e.g. SiO2 , SiO2 /(SiO2  + Al2 O3 )) nor by the NBO/T parameter. It therefore appears necessary to consider not only the structure of the glasses, but also the nature of the different atoms. Consequently, we assessed the use of another concept, the optical basicity, based on the electronegativities of the constitutive elements of glass. We show that this parameter significantly improves the efficiency of the matrix-effect correction and that it can be applied across the entire NCMAS compositional range studied here. Furthermore, the use of optical basicity reduces the number of glass standards required for a reliable isotopic study, and it can also be used to probe the structure of the glass. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  19. Effect of particle size on fracture toughness of SiC/Al composite material

    NASA Technical Reports Server (NTRS)

    Flom, Y.; Arsenault, R. J.

    1989-01-01

    Discontinuous SiC/Al composites with SiC particles of different sizes were fabricated in order to study the role of particle size on the fracture process. The fracture process is confined to a very narrow band and takes place within the matrix in composites containing small SiC particle sizes. In the composite reinforced with SiC particles of 20 microns and above fracture of SiC begins to dominate. The matrix is influenced by the high density of dislocations generated at SiC/Al interfaces due to the difference in coefficient of thermal expansion between SiC and the Al matrix. Crack initiation fracture toughness does not depend on SiC particle size. Crack growth fracture toughness increases as the size of the SiC particle increase.

  20. Using Atom-Probe Tomography to Understand Zn O ∶Al /SiO 2/Si Schottky Diodes

    NASA Astrophysics Data System (ADS)

    Jaramillo, R.; Youssef, Amanda; Akey, Austin; Schoofs, Frank; Ramanathan, Shriram; Buonassisi, Tonio

    2016-09-01

    We use electronic transport and atom-probe tomography to study Zn O ∶Al /SiO 2/Si Schottky diodes on lightly doped n - and p -type Si. We vary the carrier concentration in the ZnO ∶Al films by 2 orders of magnitude, but the Schottky barrier height remains nearly constant. Atom-probe tomography shows that Al segregates to the interface, so that the ZnO ∶Al at the junction is likely to be metallic even when the bulk of the ZnO ∶Al film is semiconducting. We hypothesize that the observed Fermi-level pinning is connected to the insulator-metal transition in doped ZnO. This implies that tuning the band alignment at oxide/Si interfaces may be achieved by controlling the transition between localized and extended states in the oxide, thereby changing the orbital hybridization across the interface.

  1. Dissolution Kinetics of SiO2 into CaO-Fe2O3-SiO2 Slag

    NASA Astrophysics Data System (ADS)

    Yu, Bin; Lv, Xuewei; Xiang, Shenglin; Xu, Jian

    2016-06-01

    High-basicity sinter is the predominant Fe-bearing material used in blast furnace process in East Asia. The dissolution of SiO2 into molten calcium ferrite influences the assimilation process. In this study, a rotating cylinder method was used to explore the dissolution kinetics of SiO2 into CaO-Fe2O3-SiO2 slag. The influencing factors, including temperature, rotating time and speed, and initial composition of the slag, were considered. Results showed that the dissolution rate increased with increasing rotation speed and temperature, whereas the increase in ω(SiO2) or ω(Fe2O3)/ ω(CaO) ratio in the initial slag composition decreased the dissolution rate. The diffusion coefficient and activation energy of SiO2 during the dissolution process ranged from 2.09 × 10-6 to 6.40 × 10-6 cm2 s-1 and 106.62 to 248.20 kJ mol-1, respectively. Concentration difference between the boundary layer and bulk phase was the primary driving force of the dissolution process; however, this process was also influenced by the slag viscosity and ion diffusivity.

  2. Comparison of a SiO₂-CaO-ZnO-SrO glass polyalkenoate cement to commercial dental materials: ion release, biocompatibility and antibacterial properties.

    PubMed

    Wren, A W; Coughlan, A; Hall, M M; German, M J; Towler, M R

    2013-09-01

    Ion Release and biocompatibility of a CaO-SrO-ZnO-SiO₂ (BT 101) based glass polyalkenoate cement (GPC) was compared against commercial GPCs, Fuji IX and Ketac Molar. The radiopacity (R) was similar for each material, 2.0-2.8. Ion release was evaluated on each material over 1, 7, 30 and 90 days. BT 101 release included Ca (23 mg/L), Sr (23 mg/L) Zn (13 mg/L), Si (203 mg/L). Fuji IX release includes Ca (0.7 mg/L), Al (3 mg/L) Si (26 mg/L), Na (60 mg/L) and P (0.5 mg/L) while Ketac Molar release includes Ca (1 mg/L), Al (0.6 mg/L) Si (23 mg/L), Na (76 mg/L) and P (0.7 mg/L). Simulated body fluid trials revealed CaP surface precipitation on BT 101. No evidence of precipitation was found on Fuji IX or Ketac Molar. Cytotoxicity testing found similar cell viability values for each material (~60 %, P = 1.000). Antibacterial testing determined a reduced CFU count with BT 101 (2.5 × 10³) when compared to the control bacteria (2.4 × 10⁴), Fuji IX (1.5 × 10⁴) and Ketac Molar (1.2 × 10⁴).

  3. Anomalous Dilatometric Response in Fe-Mn-Al-Si Steel

    NASA Astrophysics Data System (ADS)

    Ghosh, S. K.

    2012-04-01

    The present study deals with the transformation of an aggregate consisting of ferrite and pearlite into austenite in a Fe-0.36C-1.98Mn-1.97Al-0.30Si (wt%) steel. The transformation phenomenon has been studied using dilatometry which confirms that austenite starts to nucleate due to dissolution of ferrite and pearlite and subsequently it commences to grow when the appropriate elevated temperature is reached. The austenite formation has been accompanied with the formation of a hump in the dilatation curve which is different with respect to the results reported earlier. The non-conventional behaviour associated with the austenite formation has been explained using the X-ray diffraction data, microstructural investigation and also with MT-DATA theoretical calculations.

  4. Microstructural Development in Al-Si Powder During Rapid Solidification

    SciTech Connect

    Genau, Amber Lynn

    2004-01-01

    Powder metallurgy has become an increasingly important form of metal processing because of its ability to produce materials with superior mechanical properties. These properties are due in part to the unique and often desirable microstructures which arise as a result of the extreme levels of undercooling achieved, especially in the finest size powder, and the subsequent rapid solidification which occurs. A better understanding of the fundamental processes of nucleation and growth is required to further exploit the potential of rapid solidification processing. Aluminum-silicon, an alloy of significant industrial importance, was chosen as a model for simple eutectic systems displaying an unfaceted/faceted interface and skewed coupled eutectic growth zone, Al-Si powder produced by high pressure gas atomization was studied to determine the relationship between microstructure and alloy composition as a function of powder size and atomization gas. Critical experimental measurements of hypereutectic (Si-rich) compositions were used to determine undercooling and interface velocity, based on the theoretical models which are available. Solidification conditions were analyzed as a function of particle diameter and distance from nucleation site. A revised microstructural map is proposed which allows the prediction of particle morphology based on temperature and composition. It is hoped that this work, by providing enhanced understanding of the processes which govern the development of the solidification morphology of gas atomized powder, will eventually allow for better control of processing conditions so that particle microstructures can be optimized for specific applications.

  5. Microstructural development of rapid solidification in Al-Si powder

    SciTech Connect

    Jin, Feng

    1995-09-26

    The microstructure and the gradient of microstructure that forms in rapidly solidificated powder were investigated for different sized particles. High pressure gas atomization solidification process has been used to produce a series of Al-Si alloys powders between 0.2 μm to 150 μm diameter at the eutectic composition (12.6 wt pct Si). This processing technique provides powders of different sizes which solidify under different conditions (i.e. interface velocity and interface undercooling), and thus give different microstructures inside the powders. The large size powder shows dendritic and eutectic microstructures. As the powder size becomes smaller, the predominant morphology changes from eutectic to dendritic to cellular. Microstructures were quantitatively characterized by using optical microscope and SEM techniques. The variation in eutectic spacing within the powders were measured and compared with the theoretical model to obtain interface undercooling, and growth rate during the solidification of a given droplet. Also, nucleation temperature, which controls microstructures in rapidly solidified fine powders, was estimated. A microstructural map which correlates the microstructure with particle size and processing parameters is developed.

  6. Bioactivity of CaSiO3/poly-lactic acid (PLA) composites prepared by various surface loading methods of CaSiO3 powder.

    PubMed

    Okada, Kiyoshi; Hasegawa, Fumikazu; Kameshima, Yoshikazu; Nakajima, Akira

    2007-05-01

    Mixing bioactive ceramic powders with polymers is an effective method for generating bioactivity to the polymer-matrix composites but it is necessary to incorporate up to 40 vol% of bioactive ceramic powder. However, such a high mixing ratio offsets the advantages of the flexibility and formability of polymer matrix and it would be highly advantageous to lower the mixing ratio. Since surface loading of ceramic powders in the polymer is thought to be an effective way of reducing the mixing ratio of the ceramic powder while maintaining bioactive activity, CaSiO(3)/poly-lactic acid (PLA) composites were prepared by three methods; (1) casting, (2) spin coating and (3) hot pressing. In methods (1) and (2), a suspension was prepared by dissolving PLA in chloroform and dispersing CaSiO(3) powder in it. The suspension was cast and dried to form a film in the case of method (1) while it was spin-coated on a PLA substrate in method (2). In method (3), CaSiO(3) powder was surface loaded on to a PLA substrate by hot pressing. The bioactivity of these samples was investigated in vitro using simulated body fluid (SBF). Apatite formation was not observed in the samples prepared by method (1) but some apatite formation was achieved by mixing polyethylene glycol (PEG) with the PLA, producing a porous polymer matrix. In method (2), apatite was clearly observed after soaking for 7 days. Enhanced apatite formation was observed in method (3), the thickness of the resulting apatite layers becoming about 20 microm after soaking for 14 days. Since the amount of CaSiO(3) powder used in these samples was only

  7. Bioactivity of CaSiO3/poly-lactic acid (PLA) composites prepared by various surface loading methods of CaSiO3 powder.

    PubMed

    Okada, Kiyoshi; Hasegawa, Fumikazu; Kameshima, Yoshikazu; Nakajima, Akira

    2007-08-01

    Mixing bioactive ceramic powders with polymers is an effective method for generating bioactivity to the polymer-matrix composites but it is necessary to incorporate up to 40 vol% of bioactive ceramic powder. However, such a high mixing ratio offsets the advantages of the flexibility and formability of polymer matrix and it would be highly advantageous to lower the mixing ratio. Since surface loading of ceramic powders in the polymer is thought to be an effective way of reducing the mixing ratio of the ceramic powder while maintaining bioactive activity, CaSiO(3)/poly-lactic acid (PLA) composites were prepared by three methods; (1) casting, (2) spin coating and (3) hot pressing. In methods (1) and (2), a suspension was prepared by dissolving PLA in chloroform and dispersing CaSiO(3) powder in it. The suspension was cast and dried to form a film in the case of method (1) while it was spin-coated on a PLA substrate in method (2). In method (3), CaSiO(3) powder was surface loaded on to a PLA substrate by hot-pressing. The bioactivity of these samples was investigated in vitro using simulated body fluid (SBF). Apatite formation was not observed in the samples prepared by method (1) but some apatite formation was achieved by mixing polyethylene glycol (PEG) with the PLA, producing a porous polymer matrix. In method (2), apatite was clearly observed after soaking for 7 days. Enhanced apatite formation was observed in method (3), the thickness of the resulting apatite layers becoming about 20 microm after soaking for 14 days. Since the amount of CaSiO(3) powder used in these samples was only < or =0.4 vol%, it is concluded that this preparation method is very effective in generating bioactivity in polymer-matrix composites by loading with only very small amounts of ceramic powder.

  8. Comparison of Si Refinement Efficiency of Electromagnetic Stirring and Ultrasonic Treatment for a Hypereutectic Al-Si Alloy

    NASA Astrophysics Data System (ADS)

    Haghayeghi, Reza; de Paula, Leandro Cassio; Zoqui, Eugenio Jose

    2017-04-01

    The effects of electromagnetic stirring, ultrasonic treatment (UT), and their combination on the Si particles refinement in a hypereutectic Al-Si alloy (A390) were examined. All three physical methods yielded a considerable change in the shape and size of the particles, with UT producing the finest size. The creation of holes inside the Si particles via the explosion of cavitation bubbles was determined to occur before fragmentation of primary Si. In addition, transmission electron microscopy analysis revealed twin formation on primary Si particles by application of an external field in the liquid. UT of the melt was sufficient to produce fine primary Si particles with average size of 12 µm. The primary Si particles refinement and eutectic Si modification improved the mechanical properties.

  9. Comparison of Si Refinement Efficiency of Electromagnetic Stirring and Ultrasonic Treatment for a Hypereutectic Al-Si Alloy

    NASA Astrophysics Data System (ADS)

    Haghayeghi, Reza; de Paula, Leandro Cassio; Zoqui, Eugenio Jose

    2017-03-01

    The effects of electromagnetic stirring, ultrasonic treatment (UT), and their combination on the Si particles refinement in a hypereutectic Al-Si alloy (A390) were examined. All three physical methods yielded a considerable change in the shape and size of the particles, with UT producing the finest size. The creation of holes inside the Si particles via the explosion of cavitation bubbles was determined to occur before fragmentation of primary Si. In addition, transmission electron microscopy analysis revealed twin formation on primary Si particles by application of an external field in the liquid. UT of the melt was sufficient to produce fine primary Si particles with average size of 12 µm. The primary Si particles refinement and eutectic Si modification improved the mechanical properties.

  10. Compositions and morphologies of TiAlSi intermetallics in different diffusion couples

    SciTech Connect

    Gao, Tong; Liu, Guiliang; Liu, Xiangfa

    2014-09-15

    Two kinds of diffusion couples were designed to investigate the formation of ternary TiAlSi phases in Al–Si–Ti alloys. It was found that different diffusion processes result in various compositions and morphologies of TiAlSi intermetallics. The melted Al, Si and Ti atoms in the diffusion couple leads to the formation of flake-like TiAlSi phase through liquid–liquid reaction. Besides, unidirectional diffusion of Al and Si atoms into blocky TiAl{sub 3} particles or Ti powders via a liquid–solid diffusion process also results in the formation of TiAlSi, while keeping the block-like morphology. This kind of diffusion is a gradual process, driven by the concentration gradient. The reactions in the diffusion couples are helpful to understand the compositional and morphological evolutions of TiAlSi as reported in previous work. - Highlights: • Two diffusion couples were designed to investigate the formation of TiAlSi phases. • Compositions and morphologies of TiAlSi are influenced by the diffusion process. • Liquid–liquid and liquid–solid diffusions were detected. • The corresponding mechanisms were discussed.

  11. Ion-Implantation-Induced Damage Characteristics Within AlN and Si for GaN-on-Si Epitaxy

    NASA Astrophysics Data System (ADS)

    Leathersich, Jeffrey M.; Tungare, Mihir; Weng, Xiaojun; Suvarna, Puneet; Agnihotri, Pratik; Evans, Morgan; Redwing, Joan; Shahedipour-Sandvik, F.

    2013-05-01

    A systematic study was conducted to further understand the physical origin of stress modification in AlN overgrown on Si(111) upon ion implantation and annealing. Implantation parameters including ion size, energy, dosage, and current density were varied, and their effects on the amorphization process in Si(111) substrates were examined. The creation of a thick (>120 nm) amorphous Si (a-Si) layer was previously shown to result in isolation of an epitaxial AlN film grown on a Si(111) substrate through implantation-induced amorphization of the substrate, and this mechanical isolation resulted in stress dilution in the AlN layer. Results show that implanting at current density of 2 mA/cm2 allows for only a thin amorphous layer to be created because of the effects of dynamic annealing, which simultaneously eliminates any damage created from the ion implantation, regardless of ion species, dosage, and energy. Lowering the current density to 0.2 mA/cm2 does create a thick a-Si layer; however, the amorphization disappears during a high-temperature (HT) anneal. Lowering the current further to 0.2 μA/cm2 creates a thick a-Si layer that can be maintained through a HT anneal, with this difference arising from the interfacial quality of the a-Si and crystalline Si (c-Si) boundary.

  12. Effect of SiC particle size on the microstructure and properties of cold-sprayed Al/SiCp composite coating

    NASA Astrophysics Data System (ADS)

    Yu, Min; Hua, Junwei

    2017-07-01

    The Al5056/SiC composite coatings were prepared by cold spraying. Experimental results show that the SiC content in the composite coating deposited with the SiC powder having an average size of 67 μm (Al5056/SiC-67) is similar to that deposited with the SiC powder having an average size of 27 μm (Al5056/SiC-27). The microhardness and cohesion strength of Al5056/SiC-67 coating are higher than those of the Al5056/SiC-27 coating. In addition, the Al5056/SiC-67 coating having a superior wear resistance because of the coarse SiC powder with a superior kinetic energy contributes to the deformation resistance of the matrix Al5056 particles.

  13. Tribological Properties of Ni3Al Matrix Composite Sliding Against Si3N4, SiC and Al2O3 at Elevated Temperatures

    NASA Astrophysics Data System (ADS)

    Yan, Chengqi; Kang, Yonghai; Kong, Lingqian; Zhu, Shengyu

    2016-12-01

    The Ni3Al matrix self-lubricating composite was fabricated by powder metallurgy technique. The tribological behavior of the composite sliding against commercial Si3N4, SiC and Al2O3 ceramic balls was investigated from 20 to 1000 °C. It was found that the composite demonstrated excellent lubricating properties with different friction pairs at a wide temperature range, which can be attributed to the synergetic effect of Ag, fluorides, and molybdates formed by oxidations. The Ni3Al matrix self-lubricating composite/Si3N4 couple possessed the stable friction coefficient and wear rate.

  14. Tribological Properties of Ni3Al Matrix Composite Sliding Against Si3N4, SiC and Al2O3 at Elevated Temperatures

    NASA Astrophysics Data System (ADS)

    Yan, Chengqi; Kang, Yonghai; Kong, Lingqian; Zhu, Shengyu

    2017-01-01

    The Ni3Al matrix self-lubricating composite was fabricated by powder metallurgy technique. The tribological behavior of the composite sliding against commercial Si3N4, SiC and Al2O3 ceramic balls was investigated from 20 to 1000 °C. It was found that the composite demonstrated excellent lubricating properties with different friction pairs at a wide temperature range, which can be attributed to the synergetic effect of Ag, fluorides, and molybdates formed by oxidations. The Ni3Al matrix self-lubricating composite/Si3N4 couple possessed the stable friction coefficient and wear rate.

  15. Vibrational properties of CaAlH5 and α-AlH3 with different AlH6 networks studied by inelastic neutron scattering.

    PubMed

    Sato, Toyoto; Ramirez-Cuesta, A J; Ikeda, Kazutaka; Orimo, Shin-ichi; Yamada, Kazuyoshi

    2011-09-05

    We performed a combined study using inelastic neutron scattering (INS) and first-principles calculations of the vibrational properties of CaAlH(5) and α-AlH(3) with different AlH(6) networks, a zigzag one-dimensional AlH(6) network for CaAlH(5), and a three-dimensional AlH(6) network for α-AlH(3). Both materials showed qualitatively similar INS spectra, in which CaAlH(5)/α-AlH(3) was mainly divided into three regions: (i) the translational modes (318/316 cm(-1)), (ii) the librational modes of the octahedral AlH(6) units (external molecular motion) in the lower frequency range and H-Al-H bond-bending modes (intra molecular motion) at a higher frequency (420-1157/513-1038 cm(-1)), and (iii) the Al-H bond-stretching modes (1238-1750/1486-1942 cm(-1)). In region ii, the appearance of both librational and bond-bending modes was determined by the networked nature of the octahedral AlH(6) units. In addition, the librational modes of AlH(6) on α-AlH(3) exhibit higher frequencies than CaAlH(5) due to the tighter bonding between the octahedral AlH(6) units. With regard to average frequencies for the Al-H, ω(S), bond-stretching modes, and average Al-H bond distances on the aluminum-based hydrides including CaAlH(5) and α-AlH(3), ω(S) showed lower frequencies that correlate with lengthening of the Al-H bond distances.

  16. Calculation of the configurational entropy of Al, Si in layer silicates using the cluster variation method

    NASA Astrophysics Data System (ADS)

    Vinograd, V. L.; Putnis, A.

    Entropies of Al-Si in layer silicates have been calculated using a series of CVM approximations for the honeycomb lattice. The parameters of the models have been constrained by 29Si NMR data. The results of low order approximations such as ``pair'' and ``star'' have been rejected because of their low accuracy at high Al/(Al+Si) ratios. Reasonably accurate results have been achieved with the help of the ``hexagon'' and ``star-hexagon'' approximations.

  17. Kinetics of Isothermal Melt Crystallization in CaO-SiO2-CaF2-Based Mold Fluxes

    NASA Astrophysics Data System (ADS)

    Seo, Myung-Duk; Shi, Cheng-Bin; Baek, Ji-Yeon; Cho, Jung-Wook; Kim, Seon-Hyo

    2015-10-01

    A kinetic study for isothermal melt crystallization of CaO-SiO2-CaF2-based mold fluxes with different basicity of 0.94 and 1.34 has been carried out systematically by DSC measurements. The kinetic parameters were determined by Johnson-Mehl-Avrami equation. The average Avrami exponent of cuspidine (3CaO·2SiO2·CaF2) crystallization for mold flux of lower basicity (0.94) is calculated to be 3.1, implying that the crystallization mode is instantaneous nucleation followed by 3-dimensional growth. For the mold flux of higher basicity (1.34), the average Avrami exponent of cuspidine equals to 3.4, strongly suggesting that the growth is still 3 dimensional but the nucleation should be continuous. It was found that the effective crystallization rate constant for both mold fluxes increases as the crystallization temperature decreases, showing that the crystallization rate could be governed by nucleation rate. The negative effective activation energy indicates an anti-Arrhenius behavior for crystallization of the mold fluxes studied. Therefore, it is concluded that the melt crystallization for the commercial mold fluxes will be determined by thermodynamics of nucleation which is relevant to degree of undercooling. The morphology of cuspidine crystals observed by SEM agreeds well with the isothermal crystallization kinetics results.

  18. Oxidation and microstructure evolution of Al-Si coated Ni3Al based single crystal superalloy with high Mo content

    NASA Astrophysics Data System (ADS)

    Tu, Xiaolu; Peng, Hui; Zheng, Lei; Qi, Wenyan; He, Jian; Guo, Hongbo; Gong, Shengkai

    2015-01-01

    A Si modified aluminide (Al-Si) coating was prepared on a Ni3Al based single crystal superalloy with high Mo content by high-activity pack cementation. Cyclic oxidation test at 1150 °C was carried out and the microstructure evolution of the coating was investigated. The results show that the oxidation resistance of the substrate was greatly increased by applying an Al-Si coating. During oxidation, outward diffusion of Mo was effectively blocked due to its high affinity with Si. Besides, a layered structure was formed as a result of the elements inter-diffusion. An obvious degradation of the Al-Si coating was observed after 100 h oxidation. Possible mechanisms related to the oxidation and elements inter-diffusion behaviours were also discussed.

  19. Mechanistic Selection and Growth of Twinned Bicrystalline Primary Si in Near Eutectic Al-Si Alloys

    SciTech Connect

    Jung, Choonho

    2006-01-01

    Morphological evolution and selection of angular primary silicon is investigated in near-eutectic Al-Si alloys. Angular silicon arrays are grown directionally in a Bridgman furnace at velocities in the regime of 10-3 m/sec and with a temperature gradient of 7.5 x 103 K/m. Under these conditions, the primary Si phase grows as an array of twinned bicrystalline dendrites, where the twinning gives rise to a characteristic 8-pointed star-shaped primary morphology. While this primary Si remains largely faceted at the growth front, a complex structure of coherent symmetric twin boundaries enables various adjustment mechanisms which operate to optimize the characteristic spacings within the primary array. In the work presented here, this primary silicon growth morphology is examined in detail. In particular, this thesis describes the investigation of: (1) morphological selection of the twinned bicrystalline primary starshape morphology; (2) primary array behavior, including the lateral propagation of the starshape grains and the associated evolution of a strong <100> texture; (3) the detailed structure of the 8-pointed star-shaped primary morphology, including the twin boundary configuration within the central core; (4) the mechanisms of lateral propagation and spacing adjustment during array evolution; and (5) the thermosolutal conditions (i.e. operating state) at the primary growth front, including composition and phase fraction in the vicinity of the primary tip.

  20. Al-Si ordering in Sr-feldspar SrAl2Si2O8: IR, TEM and single-crystal XRD evidences

    NASA Astrophysics Data System (ADS)

    Benna, P.; Tribaudino, M.; Bruno, E.

    1995-09-01

    Al-Si ordering in Sr-feldspar has been followed by isothermal annealing, starting from a disordered metastable configuration. Ordering could not be followed by changes in the spontaneous strain as cell parameters did not show significant changes with thermal treatment from 0.016 h to 452 h at T=1350° C, while, on the contrary, significant changes in IR spectra are observed. A single crystal obtained from melt ( Q od≈ 0) has been progressively heated up to 678 h at T=1350° C and the relevant structural refinements enabled to monitor changes in degree of Al-Si order up to Qod = 0.86. In isothermal treatment for Sr-feldspar it is observed a significantly lower Q od than in anorthite after the same annealing time. TEM observation has shown in Sr-feldspar, also for shortest annealing, ‘ b’ type reflections, while in anorthite, in the same conditions, ‘ e’ type reflections have been observed (Carpenter 1991a). In the first stages of ordering ‘ b’ APDs sized ≈ 100 Å (at T=1350° C, 0.33 h) have been observed in Sr-feldspar; APD coarsening occurs with an activation energy of 120±7 kcal mol-1, not significantly different from anorthite. The ordering process seems to be a slower process in Sr-feldspar than in anorthite, even though data from longer annealing suggest that the Q od close to the equilibrium is the same in Sr and Ca-feldspar ( Q od = 0.86 at T=1350° C).

  1. Thermoelectric properties of Al substituted misfit cobaltite Ca3(Co1- x Al x )4O9 at low temperature

    NASA Astrophysics Data System (ADS)

    Liu, Yi; Chen, Hong-mei; Hu, Jin-lian; Tang, Xu-bing; Li, Hai-jin; Wang, Wei

    2014-07-01

    Thermoelectric properties of Al substituted compounds Ca3(Co1- x Al x )4O9 ( x = 0, 0.03, 0.05), prepared by a sol-gel process, have been investigated in the temperature range 305-20 K. The results indicate that after Al substitution for Co in Ca3(Co1- x Al x )4O9, the direct current electrical resistivity and thermopower increase due to the reduction of carrier concentration. Experiments show that Al substitution results in decreased lattice thermal conductivity. The figure of merit of temperature behavior suggests that Ca3(Co0.97Al0.03)4O9 would be a promising candidate thermoelectric material for high-temperature thermoelectric application.

  2. Density functional study of CaN monolayer on Si(001)

    NASA Astrophysics Data System (ADS)

    Saati asr, Maryam; Zahedifar, Maedeh; Hashemifar, S. Javad; Akbarzadeh, Hadi

    2016-01-01

    In this work, the first-principles computations are performed to study the structural and magnetic properties of CaN/Si(001) interface. Bulk CaN in the zinc-blende (ZB) structure is argued to be an ionic magnetic compound with a total spin moment of 1 μB per formula unit, originated from the p electrons of N ions. Various interface configurations of a ZB CaN monolayer on Si (001) surface are investigated and the lowest energy and the highest spin polarized interfaces are extracted. Then the minimum energy path between the lowest energy and the highest spin polarized interfaces are calculated by using the nudged elastic band method and it is argued that both these systems are unstable toward a nonmagnetic interface with a rock-salt arrangement of Ca and N atoms.

  3. Effect of SiC particles on thermal conductivity of Al-4%Cu/SiC composites

    NASA Astrophysics Data System (ADS)

    Sharifi, Hassan; Eidivandi, Vahid; Tayebi, Morteza; Khezrloo, Amirreza; Aghaie, Ermia

    2017-06-01

    In this research, SiC powder with various volume fraction (10, 15, and 20%) and particle size (45, 100 and 150 μm) was mixed with Al-4% Cu alloy powder in order to synthesize Al-4%Cu/SiC composite using powder metallurgy technique. To investigate the microstructure and surface morphology of the prepared composites, scanning electron microscopy (SEM) was used, which revealed a homogeneous distribution of the SiC particles in the matrix. Results revealed that by increasing the volume fraction and SiC particle size, heat transmission of the Al-4%Cu/SiC nanocomposite enhanced up to 10.3%. Also, Hasselman-Johnson model was employed to analyse the experimental results, and it was concluded that with the increasing of volume fraction of reinforcement particles, the prediction model gets closer to the obtained experimental data.

  4. Calibration of Al/Si order variations in anorthite

    NASA Astrophysics Data System (ADS)

    Carpenter, M. A.; Angel, R. J.; Finger, L. W.

    1990-07-01

    New single crystal diffraction data for natural and heat-treated anorthite crystals (Angel et al. 1990) allow the determination of their states of Al/Si order in terms of a macroscopic order parameter, Q OD , for the MediaObjects/410_2005_BF01575624_f1.tif transition. Numerical values of Q OD obtained from estimates of site occupancies are shown to vary with the scalar spontaneous strain, ɛ s , as ɛ s ∝ Q {/OD 2}, and with the ratio of the sums of type b (superlattice) reflections and type a (sublattice) reflections as ΣI b/ ΣI a ∝ Q {/OD 2}. An empirical calibration for pure anorthite is obtained givingQ_{OD} = 10.1left( 5 right)sqrt {\\varepsilon _s } varies between ˜ 0.92 and ˜ 0.87 in samples equilibrated at T≤1300° C, but then falls off relatively rapidly with increasing temperature, reaching ˜ 0.7 near the melting point (˜ 1557° C). The observed temperature dependence does not conform to the predictions of the simplest single order parameter models; coupling of Q OD with Q of the MediaObjects/410_2005_BF01575624_f2.tif transition is suspeeted.

  5. Microstructural characteristics and aging response of Zn-containing Al-Mg-Si-Cu alloy

    NASA Astrophysics Data System (ADS)

    Cai, Yuan-hua; Wang, Cong; Zhang, Ji-shan

    2013-07-01

    Al-Mg-Si-Cu alloys with and without Zn addition were fabricated by conventional ingot metallurgy method. The microstructures and properties were investigated using optical microscopy (OM), field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), tensile test, hardness test, and electrical conductivity measurement. It is found that the as-cast Al-Mg-Si-Cu-Zn alloy is composed of coarse dendritic grains, long needle-like β/δ-AlFeSi white intermetallics, and Chinese script-like α-AlFeSi compounds. During high temperature homogenization treatment, only harmful needle-like β-AlFeSi phase undergoes fragmentation and spheroidizing at its tips, and the destructive needle-like δ-phase does not show any morphological and size changes. Phase transitions from β-AlFeSi to α-AlFeSi and from δ-AlFeSi to β-AlFeSi are also not found. Zn addition improves the aging hardening response during the former aging stage and postpones the peak-aged hardness to a long aging time. In T4 condition, Zn addition does not obviously increase the yield strength and decrease the elongation, but it markedly improves paint-bake hardening response during paint-bake cycle. The addition of 0.5wt% Zn can lead to an increment of 99 MPa in yield strength compared with the value of 69 MPa for the alloy without Zn after paint-bake cycle.

  6. Wettability of Silicon Carbide by CaO-SiO2 Slags

    NASA Astrophysics Data System (ADS)

    Safarian, Jafar; Tangstad, Merete

    2009-12-01

    The wettability of silicon carbide by liquid CaO-SiO2 slags that contain 47 to 60 wt pct SiO2 was studied using the sessile drop wettability technique. The experiments were carried out in Ar and CO atmospheres. A small piece of slag was melted on SiC substrates under different heating regimes up to 1600 °C. It was found that the wetting is not significantly dependent on the temperature and the heating rate. However, the wettability is relatively high, and the wetting is higher for slags that contain lower SiO2 concentrations. Moreover, the wettability between the slags and SiC is dependent on the gas phase composition, and it is higher in Ar than that in CO. When the SiO2 concentration changes from 47 pct wt to 60 pct wt, the wetting angle changes from 20 deg to 73 deg in Ar and from 58 deg to 87 deg in a CO atmosphere. The formation and bursting of gas bubbles also was observed after some contact time, which indicates that the wetting system is a reactive type. However, microscopic studies indicated that no metal phase exists at the slag/silicon-carbide interface. Therefore, it was concluded that chemical reactions between the slag and SiC take place and that SiO2 is slowly reduced to form CO and SiO gases. Based on the experimental data, the dependence of the Girifalco-Good coefficient on the slag composition and the relationship between the interfacial tension of CaO-SiO2 slags and SiC also were estimated.

  7. Thermodynamics of CaMgSi2O6-KAlSi2O6 clinopyroxene solid solution: Quantum mechanical and static lattice energy calculations

    NASA Astrophysics Data System (ADS)

    Vinograd, V. L.; Safonov, O. G.; Wilson, D. J.; Gale, J. D.; Perchuk, L. L.; Winkler, B.

    2007-12-01

    K-enriched clinopyroxenes are often found in mineral assemblages formed at high and ultrahigh pressures, such as inclusions in diamonds, eclogitic and peridotitic xenoliths in kimberlites and lamproites. Thermodynamic properties of the solid solution between diopside and potassium jadeite cannot be studied experimentally due to impossibility to synthesize crystals with more than 25% of KAlSi2O6. Here we show that the missing thermodynamic information can be obtained with the aid of computer simulations. A set of empirical interatomic potentials has been used for calculation of static lattice energies of 800 different structures in a 2x2x4 supercell of C2/c pyroxene with compositions intermediate between diopside (Di) and K-jadeite (KJd), as well as with different ordering states of the exchangeable K/Ca and Mg/Al cations. Excess static energies of these structures were cluster expanded in a basis set of 37 pair-interaction parameters. These parameters were used to constrain Monte Carlo simulations of temperature-dependent properties in the range of 273-2023 K and to calculate a T-X phase diagram for the solid solution. The simulations predicted the formation of stable intermediate compounds at 1/3, 5/12, 1/2, 7/12 and 2/3 of the KJd mole fraction. The compound at 1/2 with a space group P2/b is analogous to omphacite in the diopside - jadeite system. However, the cation distribution in this phase is inverted: K and Ca in K-omphacite occupy positions which would be Ca-rich and Na-rich, respectively, in Na-omphacite. The standard enthalpies and volumes of KJd and K-omphacite were estimated from first principles calculations, while the standard entropies, thermal expansion coefficients and bulk moduli were predicted on the basis of the force field lattice dynamics. The activity-composition relations in the disordered C2/c phase were approximated with respect to Di and KJd end-members with a Redlich-Kister polynomial. Using these results and thermodynamic data available

  8. Fabrication of a 2014Al-SiC/2014Al Sandwich Structure Composite with Good Tensile Strength and Ductility

    NASA Astrophysics Data System (ADS)

    Zhu, Xian; Zhao, Yu-Guang; Wang, Hui-Yuan; Wang, Zhi-Guo; Wu, Min; Pei, Chang-hao; Chen, Chao; Jiang, Qi-Chuan

    2016-11-01

    A sandwich structure laminate composed of a ductile 2014Al inter-layer and two nanoscale SiC reinforced 2014Al (SiC/2014Al) composite outer layers was successfully fabricated through the combination of powder metallurgy and hot rolling. The ductile 2014Al inter-layer effectively improved the processability of the sandwiched laminates. Tensile test revealed that the yield strength and ultimate tensile strength of the sandwiched laminate were 287 and 470 MPa, respectively, compared with 235 and 425 MPa for monolithic 2014Al. The good performance of the sandwiched laminate results from the strong bonding between the SiC/2014Al composites layer and the ductile 2014Al layer. Thus, the sandwich structure with a composite surface and ductile core is effective for increasing the strength and toughness of composite laminates.

  9. Thermal Stress Calculation and Fabrication of 6063 Al/60SiC-35Al-5Si Graded Materials by Spark Plasma Sintering

    NASA Astrophysics Data System (ADS)

    Dongming, Zhang; Lianmeng, Zhang; Xiaofeng, Gu; Fei, Chen

    2008-02-01

    The high intensity of thermal stress was generated during fabrication of 6063 aluminum/60SiC-35Al-5Si double-layer material. In order to decrease the thermal stress, graded materials of Al/60SiC-35Al-5Si was fabricated by spark plasma sintering. The CTE in the graded layer was controlled by SiC fraction and particle sizes. The calculation results indicate that the net stress of more than 800 MPa was generated in the double-layer materials, but it decreased to 170 MPa or less in the graded materials. So the stability can be guaranteed in the graded composites. The graded layers also have the potential for high thermal conductivity, more than 180W/Mk for every layer, which satisfies the application.

  10. Ca(2+) and CaM are involved in Al(3+) pretreatment-promoted fluoride accumulation in tea plants (Camellia sinesis L.).

    PubMed

    Zhang, Xian-Chen; Gao, Hong-Jian; Wu, Hong-Hong; Yang, Tian-Yuan; Zhang, Zheng-Zhu; Mao, Jing-Dong; Wan, Xiao-Chun

    2015-11-01

    Tea plant (Camellia sinensis (L.) O. kuntze) is known to be a fluoride (F) and aluminum (Al(3+)) hyper-accumulator. Previous study showed that pre-treatment of Al(3+) caused a significant increase of F accumulation in tea plants. However, less is known about the intricate network of Al(3+) promoted F accumulation in tea plants. In this study, the involvement of endogenous Ca(2+) and CaM in Al(3+) pretreatment-promoted F accumulation in tea plants was investigated. Our results showed that Al(3+) induced the inverse change of intracellular Ca(2+) fluorescence intensity and stimulated Ca(2+) trans-membrane transport in the mature zone of tea root. Also, a link between internal Ca(2+) and CaM was found in tea roots under the presence of Al(3+). In order to investigate whether Ca(2+) and CaM were related to F accumulation promoted by Al(3+) pretreatment, Ca(2+) chelator EGTA and CaM antagonists CPZ and TFP were used. EGTA, CPZ, and TFP pretreatment inhibited Al(3+)-induced increase of Ca(2+) fluorescence intensity and CaM content in tea roots, and also significantly reduced Al(3+)-promoted F accumulation in tea plants. Taken together, our results suggested that the endogenous Ca(2+) and CaM are involved in Al(3+) pretreatment-promoted F accumulation in tea roots.

  11. Elastic stiffness constants of Al-Si and Al-Ge alloys by solid-solutioning under high pressure

    NASA Astrophysics Data System (ADS)

    Soma, Toshinobu; Takashima, Seiji; Kagaya, Hiroko-Matsuo

    1992-02-01

    The elastic stiffness constants of the Al-Si and Al-Ge alloy systems formed by solid solutioning under high pressure are studied using our previous formalism for the static crystal energy term taking account of the lattice dynamical contributions. The obtained results for the temperature-dependence of the elastic constants for pure solvent Al are consistent with the observed data. Then, the atomic fraction-dependence of the elastic constants for these alloy systems is calculated, and a decrease of the elastic stiffness constants C11, C12 and C44 with increasing concentration of Si or Ge is found for both Al-Si and Al-Ge solid solutions. Numerical results of the concentration x-derivative 1/ C ij·d C ij/d x of the elastic constants C ij for the Al 1- xSi x and Al 1- xGe x alloy system are obtained theoretically and found to be nearly constant under pressure and high temperatures. The deviation from the elastic constants of pure Al is larger for the Al-Ge alloy than for the Al-Si system.

  12. Si-SiOx-Al2O3 nanocomposites as high-capacity anode materials for Li-ion batteries

    NASA Astrophysics Data System (ADS)

    Kim, Kyungbae; Kim, Moon-Soo; Choi, Hyerang; Min, Kyeong-Sik; Kim, Ki-Doo; Kim, Jae-Hun

    2017-03-01

    Nanocrystalline Si-embedded SiOx-Al2O3 composite materials were synthesized by a high-energy mechanical milling method, and their potential as an anode material for Li-ion batteries was examined. The starting materials were amorphous SiO2 and Al metal powders. To increase the initial coulombic efficiency of the SiO2-based electrode materials, the amorphous SiO2 was reduced by Al. The reducing medium was decided by calculating the thermodynamic formation energy. During the highenergy milling process, SiO2 was partially reduced and Al was simultaneously oxidized to aluminum oxide, yielding nano Si-embedded composite. The composite was characterized by X-ray diffraction, Raman spectroscopy, X-ray photoelectron spectroscopy, and high-resolution transmission microscopy. In electrochemical tests, the reversible capacity of the composite electrode was approximately 850 mAh g-1 with enhanced initial coulombic efficiency of 66%. This performance of the composite electrode was achieved not through carbon incorporation, but through the formation of Si-embedded nanocomposites.

  13. Control of silicon solidification and the impurities from an Al-Si melt

    NASA Astrophysics Data System (ADS)

    Wang, Panpan; Lu, Huimin; Lai, Yuanshi

    2014-03-01

    The investigation on purification of metallurgical grade silicon by solidification of hypereutectic Al-Si melt under the temperature gradient as an intensified separation way was carried out. Based on the available thermodynamic parameters and experimental data, the thermodynamic behavior and chemical composition of metallic impurities was studied in the solidification process. The principle for the silicon growth in the Al-Si melts was investigated. The results indicated that the refined silicon grains were successfully enriched at the top of the Al-Si alloy. Then the top part refined silicon was collected by aqua regia leaching. Electrorefining of the bottom part (Al-22%Si) was investigated effectively in view of recovering pure Si and Al. Additionally, according to previous investigation, the optimized technical process for SOG-Si production was proposed.

  14. Fabrication of Spherical AlSi10Mg Powders by Radio Frequency Plasma Spheroidization

    NASA Astrophysics Data System (ADS)

    Wang, Linzhi; Liu, Ying; Chang, Sen

    2016-05-01

    Spherical AlSi10Mg powders were prepared by radio frequency plasma spheroidization from commercial AlSi10Mg powders. The fabrication process parameters and powder characteristics were investigated. Field emission scanning electron microscope, X-ray diffraction, laser particle size analyzer, powder rheometer, and UV/visible/infrared spectrophotometer were used for analyses and measurements of micrographs, phases, granulometric parameters, flowability, and laser absorption properties of the powders, respectively. The results show that the obtained spherical powders exhibit good sphericity, smooth surfaces, favorable dispersity, and excellent fluidity under appropriate feeding rate and flow rate of carrier gas. Further, acicular microstructures of the spherical AlSi10Mg powders are composed of α-Al, Si, and a small amount of Mg2Si phase. In addition, laser absorption values of the spherical AlSi10Mg powders increase obviously compared with raw material, and different spectra have obvious absorption peaks at a wavelength of about 826 nm.

  15. Original electrochemical mechanisms of CaSnO{sub 3} and CaSnSiO{sub 5} as anode materials for Li-ion batteries

    SciTech Connect

    Mouyane, M.; Womes, M.; Jumas, J.C.; Olivier-Fourcade, J.; Lippens, P.E.

    2011-11-15

    Calcium stannate (CaSnO{sub 3}) and malayaite (CaSnSiO{sub 5}) were synthesized by means of a high temperature solid-state reaction. Their crystal structures and morphologies were characterized by X-ray diffraction (XRD) and Scanning Electron Microscopy; their electrochemical properties were analyzed by galvanostatic tests. The amorphization of the initial electrode materials was followed by XRD. The first discharge of the oxides CaSnO{sub 3} and CaSnSiO{sub 5} shows a plateau at low potential, which is due to the progressive formation of Li-Ca-Sn and/or Li-Sn alloys as shown by {sup 119}Sn Moessbauer spectroscopy. The results reveal similar electrochemical mechanisms for CaSnO{sub 3} and CaSnSiO{sub 5} but they completely differ from those related to SnO{sub 2}. - Graphical abstract: {sup 119}Sn Moessbauer spectra at the end of the first discharge of CaSnO{sub 3} (dashed line) and CaSnSiO{sub 5} (solid line) anodes for Li-ion batteries. Inset shows that relative amounts of Sn(0) based alloys formed during the first discharge are similar for CaSnO{sub 3} and CaSnSiO{sub 5} pristine materials. Highlights: > CaSnSiO{sub 5} and CaSnO{sub 3} as anode materials for Li-ion batteries. > X-ray diffraction and Moessbauer spectroscopy, to explain the electrochemical mechanisms. > Similar mechanisms for the two compounds but different from those of SnO{sub 2} due to Ca.

  16. Microscopic potential fluctuations in Si-doped AlGaN epitaxial layers with various AlN molar fractions and Si concentrations

    SciTech Connect

    Kurai, Satoshi Yamada, Yoichi; Miyake, Hideto; Hiramatsu, Kazumasa

    2016-01-14

    Nanoscopic potential fluctuations of Si-doped AlGaN epitaxial layers with the AlN molar fraction varying from 0.42 to 0.95 and Si-doped Al{sub 0.61}Ga{sub 0.39}N epitaxial layers with Si concentrations of 3.0–37 × 10{sup 17 }cm{sup −3} were investigated by cathodoluminescence (CL) imaging combined with scanning electron microscopy. The spot CL linewidths of AlGaN epitaxial layers broadened as the AlN molar fraction was increased to 0.7, and then narrowed at higher AlN molar fractions. The experimental linewidths were compared with the theoretical prediction from the alloy broadening model. The trends displayed by our spot CL linewidths were consistent with calculated results at AlN molar fractions of less than about 0.60, but the spot CL linewidths were markedly broader than the calculated linewidths at higher AlN molar fractions. The dependence of the difference between the spot CL linewidth and calculated line broadening on AlN molar fraction was found to be similar to the dependence of reported S values, indicating that the vacancy clusters acted as the origin of additional line broadening at high AlN molar fractions. The spot CL linewidths of Al{sub 0.61}Ga{sub 0.39}N epitaxial layers with the same Al concentration and different Si concentrations were nearly constant in the entire Si concentration range tested. From the comparison of reported S values, the increase of V{sub Al} did not contribute to the linewidth broadening, unlike the case of the V{sub Al} clusters.

  17. Radial macrosegregation and dendrite clustering in directionally solidified Al-7Si and Al-19Cu alloys

    NASA Astrophysics Data System (ADS)

    Ghods, M.; Johnson, L.; Lauer, M.; Grugel, R. N.; Tewari, S. N.; Poirier, D. R.

    2016-05-01

    Hypoeutectic Al-7 wt% Si and Al-19 wt% Cu alloys were directionally solidified upward in a Bridgman furnace through a range of constant growth speeds and thermal gradients. Though processing is thermo-solutally stable, flow initiated by gravity-independent advection at, slightly leading, central dendrites moves rejected solute out ahead and across the advancing interface. Here any lagging dendrites are further suppressed which promotes a curved solid-liquid interface and the eventual dendrite "clustering" seen in transverse sections (dendrite "steepling" in longitudinal orientations) as well as extensive radial macrosegregation. Both aluminum alloys showed considerable macrosegregation at the low growth speeds (10 and 30 μm s-1) but not at higher speed (72 μm s-1). Distribution of the fraction eutectic-constituent on transverse sections was determined in order to quantitatively describe radial macrosegregation. The convective mechanisms leading to dendrite-steepling were elucidated with numerical simulations, and their results compared with the experimental observations.

  18. Defect Band Characteristics in Mg-Al and Al-Si High-Pressure Die Castings

    NASA Astrophysics Data System (ADS)

    Gourlay, C. M.; Laukli, H. I.; Dahle, A. K.

    2007-08-01

    Bands of positive macrosegregation and porosity commonly follow the surface contour of components produced by high-pressure die casting (HPDC). In this article, Al alloy AlSi7Mg and Mg alloys AZ91 and AM60 were cast into tensile test bars using cold-chamber (cc) HPDC. Microstructural characterization revealed that externally solidified crystals (ESCs) are not necessary for defect band formation, and that defect bands can form both near to and relatively far from any surface layer of different microstructure. The defect bands were 140 to 240 μm thick. In addition to defect-band-related macrosegregation, the castings also contained inverse segregation and surface segregation. Defect bands are shown to have the characteristics of the dilatant shear bands reported in past rheology studies, indicating that defect bands form due to strain localization in partially solid material during the HPDC process.

  19. Chemical Stability and Biological Properties of Plasma-Sprayed CaO-SiO2-ZrO2 Coatings

    NASA Astrophysics Data System (ADS)

    Liang, Ying; Xie, Youtao; Ji, Heng; Huang, Liping; Zheng, Xuebin

    2010-12-01

    In this work, calcia-stabilized zirconia powders were coated by silica derived from tetraethoxysilane (TEOS) hydrolysis. After calcining at 1400 °C, decalcification of calcia-stabilized zirconia by silica occurred and powders composed of Ca2SiO4, ZrO2, and CaZrO3 were prepared. We produced three kinds of powders with different Ca2SiO4 contents [20 wt.% (denoted as CZS2), 40 wt.% (denoted as CZS4), and 60 wt.% (denoted as CZS6)]. The obtained powders were sprayed onto Ti-6Al-4V substrates using atmospheric plasma spraying. The microstructure of the powders and coatings were analyzed. The dissolution rates of the coatings were assessed by monitoring the ions release and mass losses after immersion in Tris-HCl buffer solution. Results showed that the chemical stability of the coatings were significantly improved compared with pure calcium silicate coatings, and increased with the increase of Zr contents. The CZS4 coating showed not only good apatite-formation ability in simulated body fluid, but also well attachment and proliferation capability for the canine bone marrow stem cells. Results presented here indicate that plasma-sprayed CZS4 coating has medium dissolution rate and good biological properties, suggesting its potential use as bone implants.

  20. Study of Heterogeneous Nucleation of Eutectic Si in High-Purity Al-Si Alloys with Sr Addition

    NASA Astrophysics Data System (ADS)

    Zarif, Muhammad; McKay, Brian; Schumacher, Peter

    2011-06-01

    Al-5 wt pct Si master-alloys with controlled Sr and/or P addition/s were produced using super purity Al 99.99 wt pct and Si 99.999 wt pct materials in an arc melter. The master-alloy was melt-spun resulting in the production of thin ribbons. The Al matrix of the ribbons contained entrained Al-Si eutectic droplets that were subsequently investigated. Differential scanning calorimetry, thermodynamic calculations, and transmission electron microscopy techniques were employed to examine the effect of the Sr and P additions on eutectic undercoolings and nucleation phenomenon. Results indicate that, unlike P, Sr does not promote nucleation. Increasing Sr additions depressed the eutectic nucleation temperature. This may be a result of the formation of a Sr phase that could consume or detrimentally affect potent AlP nucleation sites.

  1. Influence of design on bioactivity of novel CaSiO3-CaMg(SiO3)2 bioceramics: in vitro simulated body fluid test and thermodynamic simulation.

    PubMed

    Sainz, M A; Pena, P; Serena, S; Caballero, A

    2010-07-01

    A new type of bioactive ceramic has been designed and obtained from high-temperature phase information from the wollastonite (CaSiO(3))-diopside (CaMg(SiO(3))(2)) phase equilibrium diagram. The selected composition was that corresponding to the eutectic point of the pseudobinary CaSiO(3)-CaMg(SiO(3))(2) system. The sintering behaviour, phase evolution, microstructural changes and in vitro bioactivity of CaSiO(3)-CaMg(SiO(3))(2) eutectic bioceramics were analysed by differential thermal analysis, X-ray diffraction, field emission scanning electron microscopy (FE-SEM) and image analysis. A simulation of the dissolution properties of the different materials studied, in water as well as in simulated body fluid (SBF), was also carried out by thermodynamic calculations, with the purpose of understanding the in vitro results obtained. The results demonstrate that the CaMg(SiO(3))(2) is significantly less soluble than CaSiO(3), developing an in situ porous structure (biomimetic porous bone material) with adequate biodegradation rate and stability strength when immersed in SBF. The influence of the microstructure (porosity, grain size and phase composition) on the in vitro bioactivity of the obtained bioceramics was also examined. Copyright 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  2. Synthesis and characterization of nanostructured CaSiO3 biomaterial

    NASA Astrophysics Data System (ADS)

    Jagadale, Pramod N.; Kulal, Shivaji R.; Joshi, Meghanath G.; Jagtap, Pramod P.; Khetre, Sanjay M.; Bamane, Sambhaji R.

    2013-04-01

    Here we report a successful preparation of nanostructured calcium silicate by wet chemical approach. The synthesized sample was characterized by various physico-chemical methods. Thermal stability was investigated using thermo-gravimetric and differential thermal analysis (TG-DTA). Structural characterization of the sample was carried out by the X-ray diffraction technique (XRD) which confirmed its single phase hexagonal structure. Transmission electron microscopy (TEM) was used to study the nanostructure of the ceramics while homogeneous grain distribution was revealed by scanning electron microscopy studies (SEM). The elemental analysis data obtained from energy dispersive X-ray spectroscopy (EDAX) were in close agreement with the starting composition used for the synthesis. Superhydrophilic nature of CaSiO3 was investigated at room temperature by sessile drop technique. Effect of porous nanosized CaSiO3 on early adhesion and proliferation of human bone marrow mesenchymal stem cells (BMMSCs) and cord blood mesenchymal stem (CBMSCs) cells was measured in vitro. MTT cytotoxicity test and cell adhesion test showed that the material had good biocompatibility and promoted cell viability and cell proliferation. It has been stated that the cell viability and proliferation are significantly affected by time and concentration of CaSiO3. These findings indicate that the CaSiO3 ceramics has good biocompatibility and that it is promising as a biomaterial.

  3. Low Temperature Molten Salt Production of Silicon Nanowires by Electrochemical Reduction of CaSiO₃.

    PubMed

    Dong, Yifan; Slade, Tylor; Stolt, Matthew J; Li, Linsen; Girard, Steven N; Mai, Liqiang; Jin, Song

    2017-09-26

    Silicon is an extremely important technological material, but the current industrial production of silicon by carbothermic reduction of SiO₂ is energy intensive and generates CO₂ emission. Here we developed a new and more sustainable method to produce silicon nanowires in bulk quantities via direct electrochemical reduction of CaSiO₃, an abundant and inexpensive silicon source soluble in molten salts, at a low temperature of 650 ⁰C by using low melting point ternary molten salts CaCl₂-MgCl₂-NaCl, which still retains high CaSiO₃ solubility, and a supporting electrolyte of CaO, which facilitates the transport of O²¯ 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 practical strategy at lower temperatures can be applied to other molten salt systems and also promising for waste glass and coal ash recycling. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. HPV16E7-specific siRNA inhibits cell proliferation in CaSki cells.

    PubMed

    Li, Jun-guo; Li, Li; Zhang, Shui-Wen; Wei, Xiaoguang

    2015-03-01

    High-risk human papilloma virus (HPV) infection is the main cause for the genesis of cervical carcinomas. After infection, E6 and E7 genes of HPV were integrated to the genome of the cervical epithelium. Continued expression of the transforming oncoproteins E6 and E7 not only drives the neoplastic progression in cervical epithelium, but also plays an important role in maintaining the malignant phenotype of cervical cancer cells. The aim of this study is to explore the effects of liposomal transfection of HPV16E7 siRNA on the proliferation of cervical carcinoma cell line CaSki. The siRNA interfering HPV16E7 gene was synthesized and transfected into CaSki cells by liposome to observe the cell morphology changes under microscope. The cell proliferation index was detected by flow cytometry; HPV16E7 mRNA expression was determined by RT-PCR and its protein level was determined by Western blot. After transfection of the CaSki cell by siRNA, cell proliferation was inhibited significantly, and the expression of HPV16E7 mRNA and protein level of HPV16E7 decreased. HPV16E7 siRNA is able to inhibit growth of CaSki cells. HPV16E7 might become a new target for genetic therapy of cervical carcinoma.

  5. Characterization and luminescence properties of CaMgSi2O6:Eu2+ blue phosphor.

    PubMed

    Chandrakar, P; Baghel, R N; Bisen, D P; Chandra, B P

    2015-11-01

    A blue CaMgSi2O6:Eu(2+) phosphor was prepared by the solid-state reaction method and the phosphor characterized in terms of crystal structure, particle size, photoluminescence (PL), thermoluminescence (TL) and mechanoluminescence (ML) properties using X-ray diffraction (XRD), transmission electron microscopy (TEM), PL spectroscopy, TLD reader and ML impact technique. The XRD result shows that phosphor is formed in a single phase and has a monoclinic structure with the space group C2/c. Furthermore, the PL excitation spectra of Eu(2+) -doped CaMgSi2 O6 phosphor showed a strong band peak at 356 nm and the PL emission spectrum has a peak at 450 nm. The depths and frequency factors of trap centers were calculated using the TL glow curve by deconvolution method in which the trap depths were found to be 0.48 and 0.61 eV. The formation of CaMgSi2O6:Eu(2+) phosphor was confirmed by Fourier transform infrared spectroscopy. The ML intensity increased linearly with the impact velocity of the piston used to deform the phosphor. It was shown that the local piezoelectricity-induced electron bombardment model is responsible for the ML emission. Finally, the optical properties of CaMgSi2O6:Eu(2+) phosphors are discussed. Copyright © 2015 John Wiley & Sons, Ltd.

  6. Electronic, vibrational, and superconducting properties of CaBeSi : First-principles calculations

    NASA Astrophysics Data System (ADS)

    Bersier, C.; Floris, A.; Sanna, A.; Profeta, G.; Continenza, A.; Gross, E. K. U.; Massidda, S.

    2009-03-01

    We report first-principles calculations on the normal and superconducting state of CaBexSi2-x (x=1) , in the framework of density-functional theory for superconductors. CaBeSi is isostructural and isoelectronic to MgB2 and this makes possible a direct comparison of the electronic and vibrational properties and the electron-phonon interaction of the two materials. Despite many similarities with MgB2 (e.g., σ and π bands at the Fermi level and an even larger density of states), according to our calculations CaBeSi has a very low critical temperature Tc≈0.4K consistent with the experiment. CaBeSi exhibits a complex gap structure, with three gaps at the Fermi level: besides the σ and π gaps (present also in MgB2 ), the appearance of a third gap is related to the anisotropy of the Coulomb repulsion, acting in different ways on the bonding and antibonding electronic π states.

  7. Synthesis, characterization and photoluminescence properties of CaSiO3:Eu3+ red phosphor.

    PubMed

    Nagabhushana, H; Nagabhushana, B M; Madesh Kumar, M; Chikkahanumantharayappa; Murthy, K V R; Shivakumara, C; Chakradhar, R P S

    2011-01-01

    CaSiO3:Eu3+ (1-5 mol%) red emitting phosphors have been synthesized by a low-temperature solution combustion method. The phosphors have been well characterized by powder X-ray diffraction (PXRD), Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM) and optical spectroscopy. PXRD patterns reveal monoclinic CaSiO3 phase can be obtained at 900°C. The SEM micrographs show the crystallites with irregular shape, mostly angular. Upon 254 nm excitation, the phosphor show characteristic fluorescence 5D0→7FJ (J=0, 1, 2, 3, 4) of the Eu3+ ions. The electronic transition located at 614 nm corresponding to 5D0→7F2 of Eu3+ ions, which is stronger than the magnetic dipole transition located at 593 nm corresponding to 5D0→7F1 of Eu3+ ions. Different pathways involved in emission process have been studied. Concentration quenching has been observed for Eu3+ concentration>4 mol%. UV-visible absorption shows an intense band at 240 nm in undoped and 270 nm in Eu3+ doped CaSiO3 which is attributed to oxygen to silicon (O-Si) ligand-to-metal charge-transfer (LMCT) band in the SiO3(2-) group. The optical energy band gap is widened with increase of Eu3+ ion dopant. Copyright © 2010 Elsevier B.V. All rights reserved.

  8. Micro-nano filler metal foil on vacuum brazing of SiCp/Al composites

    NASA Astrophysics Data System (ADS)

    Wang, Peng; Gao, Zeng; Niu, Jitai

    2016-06-01

    Using micro-nano (Al-5.25Si-26.7Cu)- xTi (wt%, x = 1.0, 1.5, 2.0, 2.5 and 3.0) foils as filler metal, the research obtained high-performance joints of aluminum matrix composites with high SiC particle content (60 vol%, SiCp/Al-MMCs). The effect of brazing process and Ti content on joint properties was investigated, respectively. The experimental results indicate that void free dense interface between SiC particle and metallic brazed seam with C-Al-Si-Ti product was readily obtained, and the joint shear strength enhanced with increasing brazing temperature from 560 to 580 °C or prolonging soaking time from 10 to 90 min. Sound joints with maximum shear strength of 112.5 MPa was achieved at 580 °C for soaking time of 90 min with (Al-5.25Si-26.7Cu)-2Ti filler, where Ti(AlSi)3 intermetallic is in situ strengthening phase dispersed in the joint and fracture occured in the filler metal layer. In this research, the beneficial effect of Ti addition into filler metal on improving wettability between SiC particle and metallic brazed seam was demonstrated, and capable welding parameters were broadened for SiCp/Al-MMCs with high SiC particle content.

  9. [Release of Si, Al and Fe in red soil under simulated acid rain].

    PubMed

    Liu, Li; Song, Cun-yi; Li, Fa-sheng

    2007-10-01

    bstract:A laboratory leaching experiment on simulated acid rain was carried out using soil columns. The release of Si, Al and Fe from soils and pH values of eluates were investigated. The results showed that under the given leaching volume, the release amounts of cations were influenced by the pH value of simulated acid rain, while their response to acid rain was different. Acid rain led to Si release, nearly none of Fe. Within the range from pH 3.0 to 5.6, a little Al release but mass Al only release at the pH below 3.0, both Si and Al had a declining release ability with the undergoing eluviation. At pH 2.5, the release amounts of Si and Al, especially Al, increased significantly with the strengthened weathering process of soil mineral. With an increase of the leaching amount of acid rain, the release of Si and Al increased, but acceleration of Si was slower than Al which was slower and slower. When the soil pH falling down to a certain grade, there are negative correlation between pH and both Al and DOC concentration of eluate. released, but most of Al derived from the aluminosilicates dissolved. Acid deposition can result in solid-phase alumino-organics broken and Al released, but most of Al derived from the aluminosilicates dissolved.

  10. Structure of molten Al and eutectic Al-Si alloy studied by neutron diffraction

    SciTech Connect

    Dahlborg, U.; Kramer, Matthew J.; Besser, M.; Morris, J. R.; Calvo-Dahlborg, M.

    2012-11-24

    The structure of molten eutectic Al87.8Si12.2 alloy has been studied by neutron diffraction during a temperature cycle. For comparison measurements