Optical and transport properties of dense liquid silica
Abstract
Using density-functional-theory based molecular dynamics and the Kubo-Greenwood linear response theory, we evaluated the high-pressure equation of state and the optical and transport properties of quartz and fused silica shock-compressed to 2000 GPa. Here, the computed Hugoniots and corresponding optical reflectivity values are in very good agreement with published data for quartz, and new data that we obtained on fused silica using magnetically launched flyer plate experiments. The rise of optical reflectivity upon shock compression appears to be primarily a temperature-driven mechanism, which is relatively insensitive to small density variation. We observed that the electrical conductivity does not display Drude-like frequency dependence, especially at lower temperatures. In addition, the Wiedemann-Franz relation between electrical and thermal conductivities was found to be invalid. It suggests that even at three-fold compression, warm dense liquid silica on the Hugoniot curve is still far away from the degenerate limit.
- Authors:
-
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Publication Date:
- Research Org.:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA); National Aeronautics and Space Administration (NASA)
- OSTI Identifier:
- 1788340
- Alternate Identifier(s):
- OSTI ID: 1228630
- Report Number(s):
- LLNL-JRNL-661459
Journal ID: ISSN 1070-664X; 782006; TRN: US2210586
- Grant/Contract Number:
- AC52-07NA27344; AC04-94AL85000; NNH12AU44I
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physics of Plasmas
- Additional Journal Information:
- Journal Volume: 22; Journal Issue: 6; Journal ID: ISSN 1070-664X
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 70 PLASMA PHYSICS AND FUSION TECHNOLOGY; Hugoniot curve; Silicates; Thermal conductivity; Shock compression; Glass; Density functional theory; Transport properties; Equations of state; Shock waves; Electrical conductivity
Citation Formats
Qi, Tingting, Millot, Marius, Kraus, Richard G., Root, Seth, and Hamel, Sebastien. Optical and transport properties of dense liquid silica. United States: N. p., 2015.
Web. doi:10.1063/1.4922471.
Qi, Tingting, Millot, Marius, Kraus, Richard G., Root, Seth, & Hamel, Sebastien. Optical and transport properties of dense liquid silica. United States. https://doi.org/10.1063/1.4922471
Qi, Tingting, Millot, Marius, Kraus, Richard G., Root, Seth, and Hamel, Sebastien. Fri .
"Optical and transport properties of dense liquid silica". United States. https://doi.org/10.1063/1.4922471. https://www.osti.gov/servlets/purl/1788340.
@article{osti_1788340,
title = {Optical and transport properties of dense liquid silica},
author = {Qi, Tingting and Millot, Marius and Kraus, Richard G. and Root, Seth and Hamel, Sebastien},
abstractNote = {Using density-functional-theory based molecular dynamics and the Kubo-Greenwood linear response theory, we evaluated the high-pressure equation of state and the optical and transport properties of quartz and fused silica shock-compressed to 2000 GPa. Here, the computed Hugoniots and corresponding optical reflectivity values are in very good agreement with published data for quartz, and new data that we obtained on fused silica using magnetically launched flyer plate experiments. The rise of optical reflectivity upon shock compression appears to be primarily a temperature-driven mechanism, which is relatively insensitive to small density variation. We observed that the electrical conductivity does not display Drude-like frequency dependence, especially at lower temperatures. In addition, the Wiedemann-Franz relation between electrical and thermal conductivities was found to be invalid. It suggests that even at three-fold compression, warm dense liquid silica on the Hugoniot curve is still far away from the degenerate limit.},
doi = {10.1063/1.4922471},
journal = {Physics of Plasmas},
number = 6,
volume = 22,
place = {United States},
year = {Fri Jun 12 00:00:00 EDT 2015},
month = {Fri Jun 12 00:00:00 EDT 2015}
}
Web of Science
Works referenced in this record:
Optical properties of water at high temperature
journal, April 2011
- French, Martin; Redmer, Ronald
- Physics of Plasmas, Vol. 18, Issue 4
Shock compression of hydrocarbon foam to 200 GPa: Experiments, atomistic simulations, and mesoscale hydrodynamic modeling
journal, September 2013
- Root, Seth; Haill, Thomas A.; Lane, J. Matthew D.
- Journal of Applied Physics, Vol. 114, Issue 10
Streaked optical pyrometer system for laser-driven shock-wave experiments on OMEGA
journal, March 2007
- Miller, J. E.; Boehly, T. R.; Melchior, A.
- Review of Scientific Instruments, Vol. 78, Issue 3
Line-imaging velocimeter for shock diagnostics at the OMEGA laser facility
journal, November 2004
- Celliers, P. M.; Bradley, D. K.; Collins, G. W.
- Review of Scientific Instruments, Vol. 75, Issue 11
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Laser interferometer for measuring high velocities of any reflecting surface
journal, November 1972
- Barker, L. M.; Hollenbach, R. E.
- Journal of Applied Physics, Vol. 43, Issue 11
Dissociation of Liquid Silica at High Pressures and Temperatures
journal, July 2006
- Hicks, D. G.; Boehly, T. R.; Eggert, J. H.
- Physical Review Letters, Vol. 97, Issue 2
Influence of the exchange screening parameter on the performance of screened hybrid functionals
journal, December 2006
- Krukau, Aliaksandr V.; Vydrov, Oleg A.; Izmaylov, Artur F.
- The Journal of Chemical Physics, Vol. 125, Issue 22
Magnetically driven hyper-velocity launch capability at the Sandia Z accelerator
journal, June 2011
- Lemke, R. W.; Knudson, M. D.; Davis, J. -P.
- International Journal of Impact Engineering, Vol. 38, Issue 6
Equation of state of stishovite and interpretation of SiO 2 shock-compression data : STISHOVITE EQUATION OF STATE
journal, January 2003
- Panero, Wendy R.; Benedetti, Laura Robin; Jeanloz, Raymond
- Journal of Geophysical Research: Solid Earth, Vol. 108, Issue B1
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Dispersion-equation coefficients for the refractive index and birefringence of calcite and quartz crystals
journal, May 1999
- Ghosh, Gorachand
- Optics Communications, Vol. 163, Issue 1-3
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Shock‐Wave Compression of Quartz
journal, March 1962
- Wackerle, Jerry
- Journal of Applied Physics, Vol. 33, Issue 3
Laser-driven single shock compression of fluid deuterium from 45 to 220 GPa
journal, January 2009
- Hicks, D. G.; Boehly, T. R.; Celliers, P. M.
- Physical Review B, Vol. 79, Issue 1
Ab initio calculation of transport and optical properties of aluminum: Influence of simulation parameters
journal, November 2013
- Knyazev, D. V.; Levashov, P. R.
- Computational Materials Science, Vol. 79
An ultrasensitive molybdenum-based double-heterojunction phototransistor
text, January 2021
- , Feng; , Liu; , Zhu
- Zenodo
On the Relationship between Refractive Index and Density for SiO2-polymorphs
journal, December 1988
- Marler, B.
- Physics and Chemistry of Minerals, Vol. 16, Issue 3
Ab initio simulations of the electrical and optical properties of shock-compressed
journal, October 2004
- Laudernet, Yann; Clérouin, Jean; Mazevet, Stéphane
- Physical Review B, Vol. 70, Issue 16
Evidence for a Phase Transition in Silicate Melt at Extreme Pressure and Temperature Conditions
journal, February 2012
- Spaulding, D. K.; McWilliams, R. S.; Jeanloz, R.
- Physical Review Letters, Vol. 108, Issue 6
Electronic transport coefficients from ab initio simulations and application to dense liquid hydrogen
journal, June 2011
- Holst, Bastian; French, Martin; Redmer, Ronald
- Physical Review B, Vol. 83, Issue 23
High-resolution X-ray luminescence extension imaging
journal, February 2021
- Ou, Xiangyu; Qin, Xian; Huang, Bolong
- Nature, Vol. 590, Issue 7846
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets
journal, May 2021
- Chen, Ruyi; Cui, Qirui; Liao, Liyang
- Nature Communications, Vol. 12, Issue 1
Shock vaporization of silica and the thermodynamics of planetary impact events: SHOCK VAPORIZATION OF SILICA
journal, September 2012
- Kraus, R. G.; Stewart, S. T.; Swift, D. C.
- Journal of Geophysical Research: Planets, Vol. 117, Issue E9
Functional designed to include surface effects in self-consistent density functional theory
journal, August 2005
- Armiento, R.; Mattsson, A. E.
- Physical Review B, Vol. 72, Issue 8
Shock compression of liquid carbon monoxide and methane to 90 GPa (900 kbar)
journal, September 1981
- Nellis, W. J.; Ree, F. H.; van Thiel, M.
- The Journal of Chemical Physics, Vol. 75, Issue 6
Shock compression of stishovite and melting of silica at planetary interior conditions
journal, January 2015
- Millot, M.; Dubrovinskaia, N.; ernok, A.
- Science, Vol. 347, Issue 6220
Near-absolute Hugoniot measurements in aluminum to 500 GPa using a magnetically accelerated flyer plate technique
journal, October 2003
- Knudson, M. D.; Lemke, R. W.; Hayes, D. B.
- Journal of Applied Physics, Vol. 94, Issue 7
Ab initio study of optical properties of shock compressed silica and lithium fluoride
journal, April 2006
- Clérouin, Jean; Laudernet, Yann; Recoules, Vanina
- Journal of Physics A: Mathematical and General, Vol. 39, Issue 17
On the relationship between refractive index and density for SiO2 polymorphs
journal, February 1984
- Maj, S?awomir
- Physics and Chemistry of Minerals, Vol. 10, Issue 3
Interspecimen Comparison of the Refractive Index of Fused Silica*,†
journal, January 1965
- Malitson, I. H.
- Journal of the Optical Society of America, Vol. 55, Issue 10
Carbon dioxide shock and reshock equation of state data to 8 Mbar: Experiments and simulations
journal, June 2013
- Root, Seth; Cochrane, Kyle R.; Carpenter, John H.
- Physical Review B, Vol. 87, Issue 22
Magnetically accelerated, ultrahigh velocity flyer plates for shock wave experiments
journal, October 2005
- Lemke, R. W.; Knudson, M. D.; Bliss, D. E.
- Journal of Applied Physics, Vol. 98, Issue 7
ABUNDANT CIRCUMSTELLAR SILICA DUST AND SiO GAS CREATED BY A GIANT HYPERVELOCITY COLLISION IN THE ∼12 MYR HD172555 SYSTEM
journal, August 2009
- Lisse, C. M.; Chen, C. H.; Wyatt, M. C.
- The Astrophysical Journal, Vol. 701, Issue 2
Works referencing / citing this record:
Thermodynamically complete equation of state of MgO from true radiative shock temperature measurements on samples preheated to 1850 K
journal, January 2018
- Fat'yanov, O. V.; Asimow, P. D.; Ahrens, T. J.
- Physical Review B, Vol. 97, Issue 2
Shock compression of fused silica: An impedance matching standard
journal, October 2019
- Root, Seth; Townsend, Joshua P.; Knudson, Marcus D.
- Journal of Applied Physics, Vol. 126, Issue 16
Measurements of the sound velocity of shock-compressed liquid silica to 1100 GPa
journal, December 2016
- McCoy, C. A.; Gregor, M. C.; Polsin, D. N.
- Journal of Applied Physics, Vol. 120, Issue 23