Experimental and theoretical studies on the elasticity of tungsten to 13 GPa

Qi, Xintong; Cai, Nao; Chen, Ting; Wang, Siheng; Li, Baosheng

doi:10.1063/1.5044519

Title: Experimental and theoretical studies on the elasticity of tungsten to 13 GPa

Journal Article · Tue Aug 21 00:00:00 EDT 2018 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.5044519· OSTI ID:1529600

^[1];

^[2]; Chen, Ting ^[1]; Wang, Siheng ^[1]; Li, Baosheng ^[3]

Stony Brook Univ., NY (United States). Dept. of Geosciences
Mineral Physics Institute, Stony Brook University, Stony Brook, New York 11794, USA
Stony Brook Univ., NY (United States). Dept. of Geosciences, and Mineral Physics Inst.

Compressional (V_P) and shear wave (V_S) velocities of polycrystalline tungsten have been measured up to ~13 GPa at room temperature using ultrasonic interferometry in a multi-anvil apparatus. Using finite strain equation of state approaches, the elastic bulk and shear moduli and their pressure dependences are derived yielding $$K_{S0}$$= 325.9 ± 4.8 GPa, $$G_0$$ =164.1±2.5 GPa, $$K^{'}_{S0}$$ =3.65 ± 0.05 and $$G^{'}_0$$ =1.28 ± 0.02. On the basis of the current experimental data, the high-pressure behavior of Young’s modulus, Poisson’s ratio and ductility/brittleness for tungsten are also investigated. Complementary to the experimental data, the single crystal elastic constants, as well as the elastic anisotropy of tungsten are computed using density functional theory (DFT). The Voigt-Reuss-Hill average of the bulk and shear moduli calculated using the single crystal elastic constants from DFT are found comparable to the current experimental results within about 5%. Here, the present study offers a dataset for the elasticity of polycrystalline bcc tungsten to a maximum pressure more than 25-fold higher than other previous ultrasonic studies, which can further our understanding about the elastic, mechanical and electronic properties of tungsten under extreme conditions as well as thermodynamic modelling of its alloys.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: State Univ. of New York (SUNY), Stony Brook, NY (United States). Research Foundation of SUNY

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)

Grant/Contract Number:: NA0002907

OSTI ID:: 1529600

Alternate ID(s):: OSTI ID: 1464987

Journal Information:: Journal of Applied Physics, Vol. 124, Issue 7; ISSN 0021-8979

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

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 15 works

Citation information provided by
Web of Science

References (58)

Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Pressure distribution in a multianvil high-pressure device Mazaki, H.; Lee, D. Il; Shimizu, S. Journal of Physics E: Scientific Instruments, Vol. 6, Issue 11 https://doi.org/10.1088/0022-3735/6/11/002	journal	November 1973
Single-crystal X-ray diffraction at megabar pressures and temperatures of thousands of degrees Dubrovinsky, L.; Boffa-Ballaran, T.; Glazyrin, K. High Pressure Research, Vol. 30, Issue 4 https://doi.org/10.1080/08957959.2010.534092	journal	December 2010
Sound velocities of olivine and beta polymorphs of Mg ₂ SiO ₄ at Earth's transition zone pressures Li, Baosheng; Gwanmesia, Gabriel D.; Liebermann, Robert C. Geophysical Research Letters, Vol. 23, Issue 17 https://doi.org/10.1029/96GL02084	journal	August 1996
MATERIALS SCIENCE: Designing Superhard Materials Kaner, R. B. Science, Vol. 308, Issue 5726 https://doi.org/10.1126/science.1109830	journal	May 2005
Sound velocity measurement using transfer function method Li, Baosheng; Chen, Kevin; Kung, Jennifer Journal of Physics: Condensed Matter, Vol. 14, Issue 44 https://doi.org/10.1088/0953-8984/14/44/478	journal	October 2002
Elastic constants of tantalum‐tungsten alloys Anderson, C. E.; Brotzen, F. R. Journal of Applied Physics, Vol. 53, Issue 1 https://doi.org/10.1063/1.329929	journal	January 1982
Experimental and theoretical studies on the elasticity of molybdenum to 12 GPa Liu, Wei; Liu, Qiong; Whitaker, Matthew L. Journal of Applied Physics, Vol. 106, Issue 4 https://doi.org/10.1063/1.3197135	journal	August 2009
Hexagonal-structured ε-NbN: ultra-incompressibility, high shear rigidity and a possible hard superconducting material Zou, Yongtao; Wang, Xuebing; Chen, Ting Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep10811	journal	June 2015
First principles study of the temperature-dependent elastic properties of W Luo, Fen; Guo, Zhi-Cheng; Zhang, Xiu-Lu Philosophical Magazine Letters, Vol. 95, Issue 4 https://doi.org/10.1080/09500839.2015.1031846	journal	April 2015
Elastic Anomaly and Polyamorphic Transition in (La, Ce)-based Bulk Metallic Glass under Pressure Qi, Xintong; Zou, Yongtao; Wang, Xuebing Scientific Reports, Vol. 7, Issue 1 https://doi.org/10.1038/s41598-017-00737-0	journal	April 2017
Dynamic Elastic Properties of Polycrystalline Tungsten, 24°–1800°C Lowrie, Robert; Gonas, A. M. Journal of Applied Physics, Vol. 36, Issue 7 https://doi.org/10.1063/1.1714447	journal	July 1965
Influence of impurities on the fracture behaviour of tungsten Gludovatz, B.; Wurster, S.; Weingärtner, T. Philosophical Magazine, Vol. 91, Issue 22 https://doi.org/10.1080/14786435.2011.558861	journal	August 2011
First-principles calculations of elastic, phonon and thermodynamic properties of W Guo, Zhi-Cheng; Luo, Fen; Zhang, Xiu-Lu Molecular Physics, Vol. 114, Issue 23 https://doi.org/10.1080/00268976.2016.1234653	journal	September 2016
The Elastic Behaviour of a Crystalline Aggregate Hill, R. Proceedings of the Physical Society. Section A, Vol. 65, Issue 5 https://doi.org/10.1088/0370-1298/65/5/307	journal	May 1952
Origin of Pressure-Induced Polyamorphism in ${Ce}_{75} {Al}_{25}$ Metallic Glass Zeng, Qiao-shi; Ding, Yang; Mao, Wendy L. Physical Review Letters, Vol. 104, Issue 10 https://doi.org/10.1103/PhysRevLett.104.105702	journal	March 2010
Enhancement of thermoelectric performance with pressure in Ce0.8Fe3CoSb12.1 Jacobsen, M. K.; Liu, W.; Li, B. Journal of Physics and Chemistry of Solids, Vol. 75, Issue 9 https://doi.org/10.1016/j.jpcs.2014.04.012	journal	September 2014
Prediction of New Low Compressibility Solids Liu, A. Y.; Cohen, M. L. Science, Vol. 245, Issue 4920 https://doi.org/10.1126/science.245.4920.841	journal	August 1989
Homogeneity and constitution of the earth's lower mantle and outer core Davies, G. F.; Dziewonski, A. M. Physics of the Earth and Planetary Interiors, Vol. 10, Issue 4 https://doi.org/10.1016/0031-9201(75)90060-6	journal	August 1975
First-principles equations of state and elastic properties of seven metals Bercegeay, C.; Bernard, S. Physical Review B, Vol. 72, Issue 21 https://doi.org/10.1103/PhysRevB.72.214101	journal	December 2005
Network Rigidity in ${GeSe}_{2}$ Glass at High Pressure Antao, Sytle M.; Benmore, Chris J.; Li, Baosheng Physical Review Letters, Vol. 100, Issue 11 https://doi.org/10.1103/PhysRevLett.100.115501	journal	March 2008
Calculated Equation of State of Al, Cu, Ta, Mo, and W to 1000 GPa Wang, Yi; Chen, Dongquan; Zhang, Xinwei Physical Review Letters, Vol. 84, Issue 15 https://doi.org/10.1103/PhysRevLett.84.3220	journal	April 2000
Correlation between hardness and elastic moduli of the covalent crystals Jiang, Xue; Zhao, Jijun; Jiang, Xin Computational Materials Science, Vol. 50, Issue 7 https://doi.org/10.1016/j.commatsci.2011.01.043	journal	May 2011
Study of the Earth’s interior using measurements of sound velocities in minerals by ultrasonic interferometry Li, Baosheng; Liebermann, Robert C. Physics of the Earth and Planetary Interiors, Vol. 233 https://doi.org/10.1016/j.pepi.2014.05.006	journal	August 2014
Ab initio thermodynamics of metals: Al and W Debernardi, A.; Alouani, M.; Dreyssé, H. Physical Review B, Vol. 63, Issue 6 https://doi.org/10.1103/PhysRevB.63.064305	journal	January 2001
Relation of the c′ elastic modulus to stability of b.c.c. transition metals Fisher, E. S.; Dever, D. Acta Metallurgica, Vol. 18, Issue 2 https://doi.org/10.1016/0001-6160(70)90033-7	journal	February 1970
Acoustic travel time gauges for in-situ determination of pressure and temperature in multi-anvil apparatus Wang, Xuebing; Chen, Ting; Qi, Xintong Journal of Applied Physics, Vol. 118, Issue 6 https://doi.org/10.1063/1.4928147	journal	August 2015
Thermal equation of state to 33.5 GPa and 1673 K and thermodynamic properties of tungsten Litasov, Konstantin D.; Gavryushkin, Pavel N.; Dorogokupets, Peter I. Journal of Applied Physics, Vol. 113, Issue 13 https://doi.org/10.1063/1.4799018	journal	April 2013
Elastic Constants of Single‐Crystal Mo and W between 77° and 500°K Bolef, D. I.; De Klerk, J. Journal of Applied Physics, Vol. 33, Issue 7 https://doi.org/10.1063/1.1728952	journal	July 1962
Experimental and first-principles studies on the elastic properties of α-hafnium metal under pressure Qi, Xintong; Wang, Xuebing; Chen, Ting Journal of Applied Physics, Vol. 119, Issue 12 https://doi.org/10.1063/1.4945106	journal	March 2016
All-electron study of gradient corrections to the local-density functional in metallic systems Khein, Alexander; Singh, D. J.; Umrigar, C. J. Physical Review B, Vol. 51, Issue 7 https://doi.org/10.1103/PhysRevB.51.4105	journal	February 1995
Elastic wave velocity measurement in multi-anvil apparatus to 10 GPa using ultrasonic interferometry Li, Baosheng; Jackson, Ian; Gasparik, Tibor Physics of the Earth and Planetary Interiors, Vol. 98, Issue 1-2 https://doi.org/10.1016/S0031-9201(96)03173-1	journal	November 1996
Tungsten tetraboride, an inexpensive superhard material Mohammadi, R.; Lech, A. T.; Xie, M. Proceedings of the National Academy of Sciences, Vol. 108, Issue 27 https://doi.org/10.1073/pnas.1102636108	journal	June 2011
Equations of state of six metals above $94 GPa$ Dewaele, Agnès; Loubeyre, Paul; Mezouar, Mohamed Physical Review B, Vol. 70, Issue 9 https://doi.org/10.1103/PhysRevB.70.094112	journal	September 2004
XCII. Relations between the elastic moduli and the plastic properties of polycrystalline pure metals Pugh, S. F. The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, Vol. 45, Issue 367 https://doi.org/10.1080/14786440808520496	journal	August 1954
Melting curves and entropy of fusion of body-centered cubic tungsten under pressure Liu, Chun-Mei; Chen, Xiang-Rong; Xu, Chao Journal of Applied Physics, Vol. 112, Issue 1 https://doi.org/10.1063/1.4733947	journal	July 2012
Elastic Constants of Tantalum, Tungsten, and Molybdenum Featherston, F. H.; Neighbours, J. R. Physical Review, Vol. 130, Issue 4 https://doi.org/10.1103/PhysRev.130.1324	journal	May 1963
Pressure derivatives of the elastic moduli of BCC Ti-V-Cr, Nb-Mo and Ta-W alloys Katahara, K. W.; Manghnani, M. H.; Fisher, E. S. Journal of Physics F: Metal Physics, Vol. 9, Issue 5 https://doi.org/10.1088/0305-4608/9/5/006	journal	May 1979
Elasticity of the superconducting metals V, Nb, Ta, Mo, and W at high pressure Koči, L.; Ma, Y.; Oganov, A. R. Physical Review B, Vol. 77, Issue 21 https://doi.org/10.1103/PhysRevB.77.214101	journal	June 2008
Variation of Elastic Constants and Static Strains with Hydrostatic Pressure: A Method for Calculation from Ultrasonic Measurements Cook, Richard K. The Journal of the Acoustical Society of America, Vol. 29, Issue 4 https://doi.org/10.1121/1.1908922	journal	April 1957
First-principles simulation: ideas, illustrations and the CASTEP code Segall, M. D.; Lindan, Philip J. D.; Probert, M. J. Journal of Physics: Condensed Matter, Vol. 14, Issue 11 https://doi.org/10.1088/0953-8984/14/11/301	journal	March 2002
Elasticity of stishovite at high pressure Li, Baosheng; Rigden, Sally M.; Liebermann, Robert C. Physics of the Earth and Planetary Interiors, Vol. 96, Issue 2-3 https://doi.org/10.1016/0031-9201(96)03144-5	journal	August 1996
Inhomogeneous Electron Gas Hohenberg, P.; Kohn, W. Physical Review, Vol. 136, Issue 3B, p. B864-B871 https://doi.org/10.1103/PhysRev.136.B864	journal	November 1964
Shock compression of tungsten and molybdenum Hixson, R. S.; Fritz, J. N. Journal of Applied Physics, Vol. 71, Issue 4 https://doi.org/10.1063/1.351203	journal	February 1992
Extrinsic Hardening of Superhard Tungsten Tetraboride Alloys with Group 4 Transition Metals Akopov, Georgiy; Yeung, Michael T.; Turner, Christopher L. Journal of the American Chemical Society, Vol. 138, Issue 17 https://doi.org/10.1021/jacs.6b02676	journal	April 2016
Ultrahigh-pressure structural phase transitions in Cr, Mo, and W Moriarty, John A. Physical Review B, Vol. 45, Issue 5 https://doi.org/10.1103/PhysRevB.45.2004	journal	February 1992
Isothermal compression of bcc transition metals to 100 kbar Ming, Li‐chung; Manghnani, Murli H. Journal of Applied Physics, Vol. 49, Issue 1 https://doi.org/10.1063/1.324325	journal	January 1978
Higher-order elastic constants and megabar pressure effects of bcc tungsten: Ab initio calculations Vekilov, Yu. Kh.; Krasilnikov, O. M.; Lugovskoy, A. V. Physical Review B, Vol. 94, Issue 10 https://doi.org/10.1103/PhysRevB.94.104114	journal	September 2016
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism Vanderbilt, David Physical Review B, Vol. 41, Issue 11, p. 7892-7895 https://doi.org/10.1103/PhysRevB.41.7892	journal	April 1990
X-ray diffraction and equation of state of solid neon to 110 GPa Hemley, R. J.; Zha, C. S.; Jephcoat, A. P. Physical Review B, Vol. 39, Issue 16 https://doi.org/10.1103/PhysRevB.39.11820	journal	June 1989
Elastic moduli of tungsten to 15 Mbar, phase transition at 6.5 Mbar, and rheology to 6 Mbar Ruoff, Arthur L.; Rodriguez, C. O.; Christensen, Niels E. Physical Review B, Vol. 58, Issue 6 https://doi.org/10.1103/PhysRevB.58.2998	journal	August 1998
Ultrahigh-pressure polyamorphism in GeO ₂ glass with coordination number >6 Kono, Yoshio; Kenney-Benson, Curtis; Ikuta, Daijo Proceedings of the National Academy of Sciences, Vol. 113, Issue 13 https://doi.org/10.1073/pnas.1524304113	journal	March 2016
Effect of shear strength on Hugoniot-compression curve and the equation of state of tungsten (W) Mashimo, Tsutomu; Liu, Xun; Kodama, Masao Journal of Applied Physics, Vol. 119, Issue 3 https://doi.org/10.1063/1.4939725	journal	January 2016
Computational Alchemy: The Search for New Superhard Materials Teter, David M. MRS Bulletin, Vol. 23, Issue 1 https://doi.org/10.1557/S0883769400031420	journal	January 1998
Ab initio thermodynamics beyond the quasiharmonic approximation: W as a prototype Xiang, Shikai; Xi, Feng; Bi, Yan Physical Review B, Vol. 81, Issue 1 https://doi.org/10.1103/PhysRevB.81.014301	journal	January 2010
Ultrasonic Phase Velocity by the Pulse‐Echo‐Overlap Method Incorporating Diffraction Phase Corrections Papadakis, Emmanuel P. The Journal of the Acoustical Society of America, Vol. 42, Issue 5 https://doi.org/10.1121/1.1910688	journal	November 1967
Single‐Crystal Elastic Properties of Tungsten from 24° to 1800°C Lowrie, Robert; Gonas, A. M. Journal of Applied Physics, Vol. 38, Issue 11 https://doi.org/10.1063/1.1709158	journal	October 1967
Variation of Elastic Constants and Static Strains with Hydrostatic Pressure; a Method for Calculation from Ultrasonic Measurements Cook, Rickard K. The Journal of the Acoustical Society of America, Vol. 29, Issue 1 https://doi.org/10.1121/1.1918532	journal	January 1957

Similar Records

Single-crystal Elasticity of Brucite, Mg(OH)2, to 15 Gpa by Brillouin Scattering

Journal Article · Sun Jan 01 00:00:00 EST 2006 · American Mineralogist · OSTI ID:1529600

Jiang, F; Speziale, S; Duffy, T

Experimental and first-principles studies on the elastic properties of α-hafnium metal under pressure

Journal Article · Wed Mar 30 00:00:00 EDT 2016 · Journal of Applied Physics · OSTI ID:1529600

Qi, Xintong; Wang, Xuebing; Chen, Ting; +1 more

Acoustic velocities, elasticity, and pressure-induced elastic softening in compressed neodymium

Journal Article · Sat Jan 30 00:00:00 EST 2021 · Mechanics of Materials · OSTI ID:1529600

Zou, Yongtao; Li, Mu; Deng, Liwei; +11 more

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
36 MATERIALS SCIENCE
Compressional and shear waves
ultrasonic interferometry
density functional theory
tungsten
elasticity

Title: Experimental and theoretical studies on the elasticity of tungsten to 13 GPa

Citation Formats

References (58)

Similar Records

Related Subjects