Hugoniot, sound speed, and phase transitions of single-crystal sapphire for pressures 0.2–2.1 TPa

McCoy, Chad August; Kalita, Patricia; Knudson, Marcus David; Desjarlais, Michael P.; Duwal, Sakun; Root, Seth

doi:10.1103/physrevb.107.214102

Title: Hugoniot, sound speed, and phase transitions of single-crystal sapphire for pressures 0.2–2.1 TPa

Journal Article · Thu Jun 15 00:00:00 EDT 2023 · Physical Review. B

DOI:https://doi.org/10.1103/physrevb.107.214102· OSTI ID:2311563

^[1]; Kalita, Patricia ^[1]; Knudson, Marcus David ^[1]; Desjarlais, Michael P. ^[1]; Duwal, Sakun ^[1]; Root, Seth ^[1]

Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sapphire (Al₂O₃) is a major constituent of the Earth's mantle and has significant contributions to the field of high-pressure physics. Constraining its Hugoniot over a wide pressure range and identifying the location of shock-driven phase transitions allows for development of a multiphase equation of state and enables its use as an impedance-matching standard in shock physics experiments. In this paper we present measurements of the principal Hugoniot and sound velocity from direct impact experiments using magnetically launched flyers on the Z machine at Sandia National Laboratories. The Hugoniot was constrained for pressures from 0.2–2.1 TPa and a four-segment piecewise linear shock-velocity–particle-velocity fit was determined. First-principles molecular dynamics simulations were conducted and agree well with the experimental Hugoniot. Sound-speed measurements identified the onset of melt between 450 and 530 GPa, and the Hugoniot fit refined the onset to 525 ± 13 GPa. A phase diagram which incorporates literature diamond-anvil cell data and melting measurements is presented.

This content will become publicly available on Sat Jun 15 00:00:00 EDT 2024

Cite

Export

Save

Research Organization:: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

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

Grant/Contract Number:: NA0003525

OSTI ID:: 2311563

Report Number(s):: SAND-2023-09353J

Journal Information:: Physical Review. B, Vol. 107, Issue 21; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (53)

Absence of an aluminous phase in the upper part of the Earth's lower mantle Irifune, Tetsuo Nature, Vol. 370, Issue 6485 https://doi.org/10.1038/370131a0	journal	July 1994
High-Pressure Transformation of Al2O3 Funamori, N. Science, Vol. 278, Issue 5340 https://doi.org/10.1126/science.278.5340.1109	journal	November 1997
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
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
Transition from the ${Rh}_{2} O_{3} (II)$ -to- $Ca Ir O_{3}$ structure and the high-pressure-temperature phase diagram of alumina Tsuchiya, Jun; Tsuchiya, Taku; Wentzcovitch, Renata M. Physical Review B, Vol. 72, Issue 2 https://doi.org/10.1103/PhysRevB.72.020103	journal	July 2005
Laser interferometer for measuring high velocities of any reflecting surface Barker, L. M.; Hollenbach, R. E. Journal of Applied Physics, Vol. 43, Issue 11 https://doi.org/10.1063/1.1660986	journal	November 1972
Magnetically driven hyper-velocity launch capability at the Sandia Z accelerator Lemke, R. W.; Knudson, M. D.; Davis, J. -P. International Journal of Impact Engineering, Vol. 38, Issue 6 https://doi.org/10.1016/j.ijimpeng.2010.10.019	journal	June 2011
An experimental study of the garnet-perovskite transformation in the system MgSiO3Mg3Al2Si3O12 Irifune, Tetsuo; Koizumi, Tomomi; Ando, Jun-ichi Physics of the Earth and Planetary Interiors, Vol. 96, Issue 2-3 https://doi.org/10.1016/0031-9201(96)03147-0	journal	August 1996
Comparison of dynamic compression behavior of single crystal sapphire to polycrystalline alumina Kleiser, G. J.; Chhabildas, L. C.; Reinhart, W. D. International Journal of Impact Engineering, Vol. 38, Issue 6 https://doi.org/10.1016/j.ijimpeng.2010.10.018	journal	June 2011
Electronic spin state of iron in lower mantle perovskite Li, J.; Struzhkin, V. V.; Mao, H. -k. Proceedings of the National Academy of Sciences, Vol. 101, Issue 39 https://doi.org/10.1073/pnas.0405804101	journal	September 2004
Dispersion-equation coefficients for the refractive index and birefringence of calcite and quartz crystals Ghosh, Gorachand Optics Communications, Vol. 163, Issue 1-3 https://doi.org/10.1016/S0030-4018(99)00091-7	journal	May 1999
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
Entropy-dominated dissipation in sapphire shock-compressed up to 400 GPa (4 Mbar) Nellis, W. J.; Kanel, G. I.; Razorenov, S. V. Journal of Physics: Conference Series, Vol. 215 https://doi.org/10.1088/1742-6596/215/1/012148	journal	March 2010
Refraction and Dispersion of Synthetic Sapphire Malitson, Irving H. Journal of the Optical Society of America, Vol. 52, Issue 12 https://doi.org/10.1364/JOSA.52.001377	journal	January 1962
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
Absolute measurement of the Hugoniot and sound velocity of liquid copper at multimegabar pressures McCoy, Chad A.; Knudson, Marcus D.; Root, Seth Physical Review B, Vol. 96, Issue 17 https://doi.org/10.1103/PhysRevB.96.174109	journal	November 2017
Specific volume measurements of Cu, Mo, Pd, and Ag and calibration of the ruby R ₁ fluorescence pressure gauge from 0.06 to 1 Mbar Mao, H. K.; Bell, P. M.; Shaner, J. W. Journal of Applied Physics, Vol. 49, Issue 6 https://doi.org/10.1063/1.325277	journal	June 1978
High precision Hugoniot measurements on statically pre-compressed fluid helium Seagle, Christopher T.; Reinhart, William D.; Lopez, Andrew J. Journal of Applied Physics, Vol. 120, Issue 12 https://doi.org/10.1063/1.4963284	journal	September 2016
Prediction of an U2S3-type polymorph of Al2O3 at 3.7 Mbar Umemoto, K.; Wentzcovitch, R. M. Proceedings of the National Academy of Sciences, Vol. 105, Issue 18 https://doi.org/10.1073/pnas.0711925105	journal	May 2008
Response of seven crystallographic orientations of sapphire crystals to shock stresses of 16–86 GPa Kanel, G. I.; Nellis, W. J.; Savinykh, A. S. Journal of Applied Physics, Vol. 106, Issue 4 https://doi.org/10.1063/1.3204940	journal	August 2009
Ordinary refractive index of sapphire in uniaxial tension and compression along the c axis Jones, S. C.; Robinson, M. C.; Gupta, Y. M. Journal of Applied Physics, Vol. 93, Issue 2 https://doi.org/10.1063/1.1530716	journal	January 2003
High-pressure experiments on phase transition boundaries between corundum, Rh2O3(II)-and CaIrO3-type structures in Al2O3 Kato, J.; Hirose, K.; Ozawa, H. American Mineralogist, Vol. 98, Issue 2-3 https://doi.org/10.2138/am.2013.4133	journal	February 2013
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
Shock compression response of poly(4-methyl-1-pentene) plastic to 985 GPa Root, Seth; Mattsson, Thomas R.; Cochrane, Kyle Journal of Applied Physics, Vol. 118, Issue 20 https://doi.org/10.1063/1.4936168	journal	November 2015
Push-pull analysis of photonic Doppler velocimetry measurements Dolan, D. H.; Jones, S. C. Review of Scientific Instruments, Vol. 78, Issue 7 https://doi.org/10.1063/1.2754405	journal	July 2007
High pressure Hugoniot of sapphire Erskine, Dave High-pressure science and technology—1993, AIP Conference Proceedings https://doi.org/10.1063/1.46499	conference	January 1994
Accuracy limits and window corrections for photon Doppler velocimetry Jensen, B. J.; Holtkamp, D. B.; Rigg, P. A. Journal of Applied Physics, Vol. 101, Issue 1 https://doi.org/10.1063/1.2407290	journal	January 2007
Stability and compressibility of the high-pressure phases of Al2O3 up to 200 GPa: Implications for the electrical conductivity of the base of the lower mantle Ono, S.; Oganov, A.; Koyama, T. Earth and Planetary Science Letters, Vol. 246, Issue 3-4 https://doi.org/10.1016/j.epsl.2006.04.017	journal	June 2006
A new quotidian equation of state (QEOS) for hot dense matter More, R. M.; Warren, K. H.; Young, D. A. Physics of Fluids, Vol. 31, Issue 10 https://doi.org/10.1063/1.866963	journal	January 1988
Investigating phase transitions and strength in single-crystal sapphire using shock–reshock loading techniques Reinhart, W. D.; Chhabildas, L. C.; Vogler, T. J. International Journal of Impact Engineering, Vol. 33, Issue 1-12 https://doi.org/10.1016/j.ijimpeng.2006.09.083	journal	December 2006
High-pressure phase transformation of corundum (α-Al ₂ O ₃ ) observed under shock compression Mashimo, T.; Tsumoto, K.; Nakamura, K. Geophysical Research Letters, Vol. 27, Issue 14 https://doi.org/10.1029/2000GL008490	journal	July 2000
A new global equation of state model for hot, dense matter Young, David A.; Corey, Ellen M. Journal of Applied Physics, Vol. 78, Issue 6 https://doi.org/10.1063/1.359955	journal	September 1995
Shock-wave compression of sapphire from 15 to 420 kbar. The effects of large anisotropic compressions Graham, R. A.; Brooks, W. P. Journal of Physics and Chemistry of Solids, Vol. 32, Issue 10 https://doi.org/10.1016/S0022-3697(71)80226-3	journal	January 1971
High pressure phase transition and strength estimate in polycrystalline alumina during laser-driven shock compression Hari, Anirudh; Hari, Rohit; Heighway, Patrick G. Journal of Physics: Condensed Matter, Vol. 35, Issue 9 https://doi.org/10.1088/1361-648X/aca860	journal	December 2022
Measurement of melting temperatures of some minerals under lower mantle pressures Shen, Guoyin; Lazor, Peter Journal of Geophysical Research: Solid Earth, Vol. 100, Issue B9 https://doi.org/10.1029/95JB01864	journal	September 1995
The melting of corundum (Al2O3) under high pressure conditions Wang, Zhongwu; Mao, Huahai; Saxena, S. K. Journal of Alloys and Compounds, Vol. 299, Issue 1-2 https://doi.org/10.1016/S0925-8388(99)00794-X	journal	March 2000
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
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
Shock‐Wave Studies of PMMA, Fused Silica, and Sapphire Barker, L. M.; Hollenbach, R. E. Journal of Applied Physics, Vol. 41, Issue 10 https://doi.org/10.1063/1.1658439	journal	September 1970
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
Platinum equation of state to greater than two terapascals: Experimental data and analytical models Cochrane, Kyle R.; Kalita, Patricia; Brown, Justin L. Physical Review B, Vol. 105, Issue 22 https://doi.org/10.1103/PhysRevB.105.224109	journal	June 2022
Melting and density of MgSiO3 determined by shock compression of bridgmanite to 1254GPa Fei, Yingwei; Seagle, Christopher T.; Townsend, Joshua P. Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-21170-y	journal	February 2021
Sound velocity, shear modulus, and shock melting of beryllium along the Hugoniot McCoy, Chad A.; Knudson, Marcus D.; Desjarlais, Michael P. Physical Review B, Vol. 100, Issue 5 https://doi.org/10.1103/PhysRevB.100.054107	journal	August 2019
Shock-Induced Transformation of ${A l}_{2} O_{3}$ and LiF into Semiconducting Liquids Hicks, D. G.; Celliers, P. M.; Collins, G. W. Physical Review Letters, Vol. 91, Issue 3 https://doi.org/10.1103/PhysRevLett.91.035502	journal	July 2003
Review of pulsed power-driven high energy density physics research on Z at Sandia Sinars, D. B.; Sweeney, M. A.; Alexander, C. S. Physics of Plasmas, Vol. 27, Issue 7 https://doi.org/10.1063/5.0007476	journal	July 2020
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces Perdew, John P.; Ruzsinszky, Adrienn; Csonka, Gábor I. Physical Review Letters, Vol. 100, Issue 13 https://doi.org/10.1103/PhysRevLett.100.136406	journal	April 2008
Crystal structure of a high-pressure/high-temperature phase of alumina by in situ X-ray diffraction Lin, Jung-Fu; Degtyareva, Olga; Prewitt, Charles T. Nature Materials, Vol. 3, Issue 6 https://doi.org/10.1038/nmat1121	journal	May 2004
Metallization of Fluid Molecular Hydrogen at 140 GPa (1.4 Mbar) Weir, S. T.; Mitchell, A. C.; Nellis, W. J. Physical Review Letters, Vol. 76, Issue 11 https://doi.org/10.1103/PhysRevLett.76.1860	journal	March 1996
Correction to the velocity‐per‐fringe relationship for the VISAR interferometer Barker, L. M.; Schuler, K. W. Journal of Applied Physics, Vol. 45, Issue 8 https://doi.org/10.1063/1.1663841	journal	August 1974
Shock Compression of Quartz to 1.6 TPa: Redefining a Pressure Standard Knudson, M. D.; Desjarlais, M. P. Physical Review Letters, Vol. 103, Issue 22 https://doi.org/10.1103/PhysRevLett.103.225501	journal	November 2009
Shock induced melting of sapphire Ostrik, A.; Nikolaev, D. Journal of Physics: Conference Series, Vol. 2154, Issue 1 https://doi.org/10.1088/1742-6596/2154/1/012010	journal	January 2022
Near-absolute Hugoniot measurements in aluminum to 500 GPa using a magnetically accelerated flyer plate technique Knudson, M. D.; Lemke, R. W.; Hayes, D. B. Journal of Applied Physics, Vol. 94, Issue 7 https://doi.org/10.1063/1.1604967	journal	October 2003
Magnetically accelerated, ultrahigh velocity flyer plates for shock wave experiments Lemke, R. W.; Knudson, M. D.; Bliss, D. E. Journal of Applied Physics, Vol. 98, Issue 7 https://doi.org/10.1063/1.2084316	journal	October 2005

Similar Records

Sound velocity, shear modulus, and shock melting of beryllium along the Hugoniot

Journal Article · Tue Aug 20 00:00:00 EDT 2019 · Physical Review B · OSTI ID:2311563

McCoy, Chad A.; Knudson, Marcus D.; Desjarlais, Michael P.

Absolute measurement of the Hugoniot and sound velocity of liquid copper at multimegabar pressures

Journal Article · Mon Nov 13 00:00:00 EST 2017 · Physical Review B · OSTI ID:2311563

McCoy, Chad August; Knudson, Marcus David; Root, Seth

Sound velocity on SiO/sub 2/ hugoniots

Conference · Sat Jan 01 00:00:00 EST 1977 · OSTI ID:2311563

Morgan, J A; Fritz, J N

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
high pressure studies
phase transitions
shock waves
density functional theory

Title: Hugoniot, sound speed, and phase transitions of single-crystal sapphire for pressures 0.2–2.1 TPa

Citation Formats

References (53)

Similar Records

Related Subjects