Thermal equation of state of silicon carbide

Wang, Yuejian; Liu, Zhi T.  Y.; Khare, Sanjay V.; Collins, Sean Andrew; Zhang, Jianzhong; Wang, Liping; Zhao, Yusheng

doi:10.1063/1.4941797

Title: Thermal equation of state of silicon carbide

Journal Article · Thu Feb 11 00:00:00 EST 2016 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4941797· OSTI ID:1332529

^[1]; Liu, Zhi T. Y. ^[2]; Khare, Sanjay V. ^[2]; Collins, Sean Andrew ^[1]; Zhang, Jianzhong ^[3]; Wang, Liping ^[4]; Zhao, Yusheng ^[4]

Oakland Univ., Rochester, MI (United States)
The Univ. of Toledo, Toledo, OH (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
The Univ. of Nevada, Las Vegas, NV (United States)

A large volume press coupled with in-situ energy-dispersive synchrotron X-ray was used to probe the change of silicon carbide (SiC) under high pressure and temperature (P-T) up to 8.1 GPa and 1100 K. The obtained pressure–volume–temperature (P-V-T) data were fitted to a modified high-T Birch-Murnaghan equation of state, yielding values of a series of thermo-elastic parameters, such as, the ambient bulk modulus K_To = 237(2) GPa, temperature derivative of bulk modulus at constant pressure (∂K/∂T)P = -0.037(4) GPa K^-1, volumetric thermal expansivity α(0, T)=a+bT with a = 5.77(1)×10^-6 K^-1 and b = 1.36(2)×10^-8 K^-2, and pressure derivative of thermal expansion at constant temperature (∂α/∂P)_T =6.53±0.64×10^-7 K^-1GPa^-1. Furthermore, we found the temperature derivative of bulk modulus at constant volume, (∂K_T/∂T)_V, equal to -0.028(4) GPa K^-1 by using a thermal pressure approach. In addition, the elastic properties of SiC were determined by density functional theory through the calculation of Helmholtz free energy. Lastly, the computed results generally agree well with the experimental values.

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Research Organization:: Univ. of Nevada, Las Vegas, NV (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: NA0001982

OSTI ID:: 1332529

Alternate ID(s):: OSTI ID: 1237871

Journal Information:: Applied Physics Letters, Vol. 108, Issue 6; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 35 works

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References (38)

TRISO coated fuel particles with enhanced SiC properties López-Honorato, E.; Tan, J.; Meadows, P. J. Journal of Nuclear Materials, Vol. 392, Issue 2 https://doi.org/10.1016/j.jnucmat.2009.03.013	journal	July 2009
SiC Whisker Reinforced Alumina Tiegs, Terry Handbook of Ceramic Composites https://doi.org/10.1007/0-387-23986-3_13	book	January 2005
Advanced Materials for Aerospace and Space Applications Bullen, George Nicholas SAE International Journal of Aerospace, Vol. 7, Issue 1 https://doi.org/10.4271/2014-01-2233	journal	September 2014
HIP-Sintered Composites of C (Diamond)/SiC Shimono, Masaru; Kume, Shoichi Journal of the American Ceramic Society, Vol. 87, Issue 4 https://doi.org/10.1111/j.1551-2916.2004.00752.x	journal	April 2004
High-pressure, high-temperature sintering of diamond–SiC composites by ball-milled diamond–Si mixtures Qian, J.; Voronin, G.; Zerda, T. W. Journal of Materials Research, Vol. 17, Issue 8 https://doi.org/10.1557/JMR.2002.0317	journal	August 2002
Properties of nanostructured diamond-silicon carbide composites sintered by high pressure infiltration technique Voronin, G. A.; Zerda, T. W.; Gubicza, J. Journal of Materials Research, Vol. 19, Issue 9 https://doi.org/10.1557/JMR.2004.0345	journal	September 2004
SiC–CNT nanocomposites: high pressure reaction synthesis and characterization Wang, Y.; Voronin, G. A.; Zerda, T. W. Journal of Physics: Condensed Matter, Vol. 18, Issue 1 https://doi.org/10.1088/0953-8984/18/1/020	journal	December 2005
The mechanism of the solid-state reaction between carbon nanotubes and nanocrystalline silicon under high pressure and at high temperature Wang, Yuejian; Zerda, T. W. Journal of Physics: Condensed Matter, Vol. 18, Issue 11 https://doi.org/10.1088/0953-8984/18/11/006	journal	February 2006
Microstructure evaluations of carbon nanotube/diamond/silicon carbide nanostructured composites by size–strain line-broadening analysis methods Wang, Yuejian; Zerda, T. W. Journal of Physics: Condensed Matter, Vol. 19, Issue 35 https://doi.org/10.1088/0953-8984/19/35/356205	journal	August 2007
Microstructure of diamond–SiC nanocomposites determined by X-ray line profile analysis Gubicza, J.; Ungár, T.; Wang, Y. Diamond and Related Materials, Vol. 15, Issue 9 https://doi.org/10.1016/j.diamond.2005.10.064	journal	September 2006
Theoretical Study of Thermodynamics Properties and Bulk Modulus of SiC under High Pressure and Temperature Zhang, Xu-Dong; Cui, Shou-Xin; Shi, Hai-Feng Chinese Physics Letters, Vol. 31, Issue 1 https://doi.org/10.1088/0256-307X/31/1/016401	journal	January 2014
Elastic and thermodynamical properties of cubic (3C) silicon carbide under high pressure and high temperature Varshney, Dinesh; Shriya, S.; Varshney, M. Journal of Theoretical and Applied Physics, Vol. 9, Issue 3 https://doi.org/10.1007/s40094-015-0183-7	journal	August 2015
High‐Pressure Equation of State for NaCl, KCl, and CsCl Decker, D. L. Journal of Applied Physics, Vol. 42, Issue 8 https://doi.org/10.1063/1.1660714	journal	July 1971
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium Kresse, G.; Hafner, J. Physical Review B, Vol. 49, Issue 20, p. 14251-14269 https://doi.org/10.1103/PhysRevB.49.14251	journal	May 1994
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation Perdew, John P.; Chevary, J. A.; Vosko, S. H. Physical Review B, Vol. 46, Issue 11 https://doi.org/10.1103/PhysRevB.46.6671	journal	September 1992
Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation Perdew, John P.; Chevary, J. A.; Vosko, S. H. Physical Review B, Vol. 48, Issue 7 https://doi.org/10.1103/PhysRevB.48.4978.2	journal	August 1993
Special points for Brillouin-zone integrations Monkhorst, Hendrik J.; Pack, James D. Physical Review B, Vol. 13, Issue 12, p. 5188-5192 https://doi.org/10.1103/PhysRevB.13.5188	journal	June 1976
"Special points for Brillouin-zone integrations"—a reply Pack, James D.; Monkhorst, Hendrik J. Physical Review B, Vol. 16, Issue 4 https://doi.org/10.1103/PhysRevB.16.1748	journal	August 1977
First-principles calculations of the ferroelastic transition between rutile-type and ${CaCl}_{2}$ -type ${SiO}_{2}$ at high pressures Togo, Atsushi; Oba, Fumiyasu; Tanaka, Isao Physical Review B, Vol. 78, Issue 13 https://doi.org/10.1103/PhysRevB.78.134106	journal	October 2008
First-principles phonon calculations of thermal expansion in ${Ti}_{3} {SiC}_{2}$ , ${Ti}_{3} {AlC}_{2}$ , and ${Ti}_{3} {GeC}_{2}$ Togo, Atsushi; Chaput, Laurent; Tanaka, Isao Physical Review B, Vol. 81, Issue 17 https://doi.org/10.1103/PhysRevB.81.174301	journal	May 2010
Thermochemical and pressure-volume-temperature systematics of data on solids, examples: Tungsten and MgO Saxena, S. K.; Zhang, J. Physics and Chemistry of Minerals, Vol. 17, Issue 1 https://doi.org/10.1007/BF00209225	journal	January 1990
A high P-T single-crystal X-ray diffraction study of thermoelasticity of MgSiO3 orthoenstatite Zhao, Yusheng; Schiferl, David; Shankland, ThomasJ. Physics and Chemistry of Minerals, Vol. 22, Issue 6 https://doi.org/10.1007/BF00213337	journal	September 1995
Thermoelastic equation of state of molybdenum Zhao, Yusheng; Lawson, Andrew C.; Zhang, Jiangzhong Physical Review B, Vol. 62, Issue 13 https://doi.org/10.1103/PhysRevB.62.8766	journal	October 2000
Thermal equation of state of rhenium diboride by high pressure-temperature synchrotron x-ray studies Wang, Yuejian; Zhang, Jianzhong; Daemen, Luke L. Physical Review B, Vol. 78, Issue 22 https://doi.org/10.1103/PhysRevB.78.224106	journal	December 2008
Thermal equation of state of copper studied by high P-T synchrotron x-ray diffraction Wang, Yuejian; Zhang, Jianzhong; Xu, Hongwu Applied Physics Letters, Vol. 94, Issue 7 https://doi.org/10.1063/1.3085997	journal	February 2009
Thermal expansion of periclase and olivine, and their anharmonic properties. Suzuki, Isao Journal of Physics of the Earth, Vol. 23, Issue 2 https://doi.org/10.4294/jpe1952.23.145	journal	January 1975
A universal thermal equation-of-state Anderson, Orson L. Journal of Geodynamics, Vol. 1, Issue 2 https://doi.org/10.1016/0264-3707(84)90027-9	journal	July 1984
Analysis of P-V-T data: constraints on the thermoelastic properties of high-pressure minerals Jackson, Ian; Rigden, Sally M. Physics of the Earth and Planetary Interiors, Vol. 96, Issue 2-3 https://doi.org/10.1016/0031-9201(96)03143-3	journal	August 1996
Thermal equation of state of iron and Fe 0.91 Si 0.09 Zhang, J.; Guyot, F. Physics and Chemistry of Minerals, Vol. 26, Issue 3 https://doi.org/10.1007/s002690050178	journal	February 1999
Thermal equation of state of magnesiowüstite (Mg0.6Fe0.4)O Zhang, Jianzhong; Kostak, Paul Physics of the Earth and Planetary Interiors, Vol. 129, Issue 3-4 https://doi.org/10.1016/S0031-9201(01)00296-5	journal	February 2002
Pressure-induced phase transition in SiC Yoshida, Minoru; Onodera, Akifumi; Ueno, Masaki Physical Review B, Vol. 48, Issue 14 https://doi.org/10.1103/PhysRevB.48.10587	journal	October 1993
High pressure X-ray investigations on 3C-SiC Strössner, K.; Cardona, M.; Choyke, W. J. Solid State Communications, Vol. 63, Issue 2 https://doi.org/10.1016/0038-1098(87)91176-8	journal	July 1987
Thermal expansion of some diamondlike crystals Slack, Glen A.; Bartram, S. F. Journal of Applied Physics, Vol. 46, Issue 1 https://doi.org/10.1063/1.321373	journal	January 1975

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71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
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Title: Thermal equation of state of silicon carbide

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