Theoretical and experimental investigation of the equation of state of boron plasmas

Zhang, Shuai; Militzer, Burkhard; Gregor, Michelle C.; Caspersen, Kyle; Yang, Lin H.; Gaffney, Jim; Ogitsu, Tadashi; Swift, Damian; Lazicki, Amy; Erskine, D.; London, Richard A.; Celliers, P. M.; Nilsen, Joseph; Sterne, Philip A.; Whitley, Heather D.

doi:10.1103/PhysRevE.98.023205

Title: Theoretical and experimental investigation of the equation of state of boron plasmas

Journal Article · Thu Aug 23 00:00:00 EDT 2018 · Physical Review E

DOI:https://doi.org/10.1103/PhysRevE.98.023205· OSTI ID:1512581

Zhang, Shuai ^[1]; Militzer, Burkhard ^[2]; Gregor, Michelle C. ^[1]; Caspersen, Kyle ^[1]; Yang, Lin H. ^[1]; Gaffney, Jim ^[1]; Ogitsu, Tadashi ^[1]; Swift, Damian ^[1]; Lazicki, Amy ^[1]; Erskine, D. ^[1]; London, Richard A. ^[1]; Celliers, P. M. ^[1]; Nilsen, Joseph ^[1]; Sterne, Philip A. ^[1]; Whitley, Heather D. ^[1]

Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Univ. of California, Berkeley, CA (United States)

We report a theoretical equation of state (EOS) table for boron across a wide range of temperatures (5.1 10⁴{5.2 10⁸ K) and densities (0.25{49 g/cm³), and experimental shock Hugoniot data at unprecedented high pressures (5608 118 GPa). The calculations are performed with first-principles methods combining path integral Monte Carlo (PIMC) at high temperatures and density functional theory molecular dynamics (DFT-MD) methods at lower temperatures. PIMC and DFT-MD cross-validate each other by providing coherent EOS (difference <1.5 Hartree/boron in energy and <5% in pressure) at 5.1 10⁵ K. The Hugoniot measurement is conducted at the National Ignition Facility using a planar shock platform. The pressure-density relation found in our shock experiment is on top of the shock Hugoniot profile predicted with our first-principles EOS and a semi-empirical EOS table (LEOS 50). We investigate the self diffusivity and the effect of thermal and pressure-driven ionization on the EOS and shock compression behavior in high pressure and temperature conditions. We also study the sensitivity of a polar direct-drive exploding pusher platform to pressure variations based on applying pressure multipliers to LEOS 50 and by utilizing a new EOS model based on our ab initio simulations via 1D radiation-hydrodynamic calculations. The results are valuable for future theoretical and experimental studies and engineering design in high energy density research.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

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

Grant/Contract Number:: AC52-07NA27344; SC0016248

OSTI ID:: 1512581

Alternate ID(s):: OSTI ID: 1466075

Report Number(s):: LLNL-JRNL-748227; PLEEE8; 933253

Journal Information:: Physical Review E, Vol. 98, Issue 2; ISSN 2470-0045

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 22 works

Citation information provided by
Web of Science

References (115)

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
Characterization of the State of Hydrogen at High Temperature and Density Militzer, B.; Magro, W.; Ceperley, D. Contributions to Plasma Physics, Vol. 39, Issue 1-2 https://doi.org/10.1002/ctpp.2150390137	journal	January 1999
Dynamic Behavior of Materials Meyers, Marc Andre https://doi.org/10.1002/9780470172278	book	September 1994
Properties and computation of the Coulomb pair density matrix Pollock, E. L. Computer Physics Communications, Vol. 52, Issue 1 https://doi.org/10.1016/0010-4655(88)90171-3	journal	December 1988
High-pressure high-temperature x-ray diffraction of β-boron to 30 GPa Ma, Yanzhang; Prewitt, Charles T.; Zou, Guangtian Physical Review B, Vol. 67, Issue 17 https://doi.org/10.1103/PhysRevB.67.174116	journal	May 2003
A database for equations of state and resistivities measurements in the warm dense matter regime Clérouin, J.; Noiret, P.; Blottiau, P. Physics of Plasmas, Vol. 19, Issue 8 https://doi.org/10.1063/1.4742317	journal	August 2012
Path Integral Monte Carlo Calculation of the Deuterium Hugoniot Militzer, B.; Ceperley, D. M. Physical Review Letters, Vol. 85, Issue 9 https://doi.org/10.1103/PhysRevLett.85.1890	journal	August 2000
Ionic high-pressure form of elemental boron Oganov, Artem R.; Chen, Jiuhua; Gatti, Carlo Nature, Vol. 457, Issue 7231 https://doi.org/10.1038/nature07736	journal	January 2009
Extended application of Kohn-Sham first-principles molecular dynamics method with plane wave approximation at high energy—From cold materials to hot dense plasmas Zhang, Shen; Wang, Hongwei; Kang, Wei Physics of Plasmas, Vol. 23, Issue 4 https://doi.org/10.1063/1.4947212	journal	April 2016
Path integral Monte Carlo simulation of the low-density hydrogen plasma Militzer, B.; Ceperley, D. M. Physical Review E, Vol. 63, Issue 6 https://doi.org/10.1103/PhysRevE.63.066404	journal	May 2001
Statistical Mechanics of Reacting Coulomb Gases Rogers, F. J.; DeWitt, H. E. Physical Review A, Vol. 8, Issue 2 https://doi.org/10.1103/PhysRevA.8.1061	journal	August 1973
The Electron Transport Coefficients of Boron and Silicon Plasma Apfelbaum, E. M. Contributions to Plasma Physics, Vol. 53, Issue 4-5 https://doi.org/10.1002/ctpp.201200078	journal	May 2013
Hugoniot experiments with unsteady waves Fratanduono, D. E.; Munro, D. H.; Celliers, P. M. Journal of Applied Physics, Vol. 116, Issue 3 https://doi.org/10.1063/1.4890014	journal	July 2014
First-principles equation of state of polystyrene and its effect on inertial confinement fusion implosions Hu, S. X.; Collins, L. A.; Goncharov, V. N. Physical Review E, Vol. 92, Issue 4 https://doi.org/10.1103/PhysRevE.92.043104	journal	October 2015
Validation of the activity expansion method with ultrahigh pressure shock equations of state Rogers, Forrest J.; Young, David A. Physical Review E, Vol. 56, Issue 5 https://doi.org/10.1103/PhysRevE.56.5876	journal	November 1997
COMPTRA04 - a Program Package to Calculate Composition and Transport Coefficients in Dense Plasmas Kuhlbrodt, S.; Holst, B.; Redmer, R. Contributions to Plasma Physics, Vol. 45, Issue 2 https://doi.org/10.1002/ctpp.200510009	journal	March 2005
Computation of the high temperature Coulomb density matrix in periodic boundary conditions Militzer, B. Computer Physics Communications, Vol. 204 https://doi.org/10.1016/j.cpc.2016.03.011	journal	July 2016
Experiments and simulations on hot expanded boron Clérouin, Jean; Renaudin, Patrick; Noiret, Pierre Physical Review E, Vol. 77, Issue 2 https://doi.org/10.1103/PhysRevE.77.026409	journal	February 2008
Path integral Monte Carlo simulations of warm dense sodium Zhang, Shuai; Driver, Kevin P.; Soubiran, François High Energy Density Physics, Vol. 21 https://doi.org/10.1016/j.hedp.2016.09.004	journal	December 2016
β-Rhombohedral Boron: At the Crossroads of the Chemistry of Boron and the Physics of Frustration Ogitsu, Tadashi; Schwegler, Eric; Galli, Giulia Chemical Reviews, Vol. 113, Issue 5 https://doi.org/10.1021/cr300356t	journal	March 2013
Multiphase equation of state for carbon addressing high pressures and temperatures Benedict, Lorin X.; Driver, Kevin P.; Hamel, Sebastien Physical Review B, Vol. 89, Issue 22 https://doi.org/10.1103/PhysRevB.89.224109	journal	June 2014
Fermion nodes Ceperley, D. M. Journal of Statistical Physics, Vol. 63, Issue 5-6 https://doi.org/10.1007/BF01030009	journal	June 1991
Self-Consistent Equations Including Exchange and Correlation Effects Kohn, W.; Sham, L. J. Physical Review, Vol. 140, Issue 4A, p. A1133-A1138 https://doi.org/10.1103/PhysRev.140.A1133	journal	November 1965
Equation of state of dense, partially degenerate, reacting plasmas Rogers, F. J. Physical Review A, Vol. 24, Issue 3 https://doi.org/10.1103/PhysRevA.24.1531	journal	September 1981
Geometrical frustration in an elemental solid: An Ising model to explain the defect structure of $β$ -rhombohedral boron Ogitsu, Tadashi; Gygi, François; Reed, John Physical Review B, Vol. 81, Issue 2 https://doi.org/10.1103/PhysRevB.81.020102	journal	January 2010
Viscosity and mutual diffusion of deuterium-tritium mixtures in the warm-dense-matter regime Kress, J. D.; Cohen, James S.; Horner, D. A. Physical Review E, Vol. 82, Issue 3 https://doi.org/10.1103/PhysRevE.82.036404	journal	September 2010
Liquid-State Properties of a One-Component Plasma Daligault, Jérôme Physical Review Letters, Vol. 96, Issue 6 https://doi.org/10.1103/PhysRevLett.96.065003	journal	February 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
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
Equation of state, occupation probabilities and conductivities in the average atom Purgatorio code Sterne, P. A.; Hansen, S. B.; Wilson, B. G. High Energy Density Physics, Vol. 3, Issue 1-2 https://doi.org/10.1016/j.hedp.2007.02.037	journal	May 2007
Phase relations in boron at pressures up to 18 GPa and temperatures up to 2200 $^{\circ}$ C Qin, Jiaqian; Irifune, Tetsuo; Dekura, Haruhiko Physical Review B, Vol. 85, Issue 1 https://doi.org/10.1103/PhysRevB.85.014107	journal	January 2012
Hydrogen–Helium Mixtures at High Pressure Militzer, Burkhard Journal of Low Temperature Physics, Vol. 139, Issue 5-6 https://doi.org/10.1007/s10909-005-5485-8	journal	June 2005
Impact of first-principles properties of deuterium–tritium on inertial confinement fusion target designs Hu, S. X.; Goncharov, V. N.; Boehly, T. R. Physics of Plasmas, Vol. 22, Issue 5 https://doi.org/10.1063/1.4917477	journal	April 2015
Structural and electronic properties of liquid boron from a molecular-dynamics simulation Vast, N.; Bernard, S.; Zerah, G. Physical Review B, Vol. 52, Issue 6 https://doi.org/10.1103/PhysRevB.52.4123	journal	August 1995
A study of ALE simulations of Rayleigh–Taylor instability Darlington, Rebecca M.; McAbee, Thomas L.; Rodrigue, Garry Computer Physics Communications, Vol. 135, Issue 1 https://doi.org/10.1016/S0010-4655(00)00216-2	journal	March 2001
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
Explicit local exchange-correlation potentials Hedin, L.; Lundqvist, B. I. Journal of Physics C: Solid State Physics, Vol. 4, Issue 14 https://doi.org/10.1088/0022-3719/4/14/022	journal	October 1971
Equation of state of dense plasmas by ab initio simulations: Bridging the gap between quantum molecular dynamics and orbital-free molecular dynamics at high temperature Danel, J. -F.; Kazandjian, L.; Zérah, G. Physics of Plasmas, Vol. 19, Issue 12 https://doi.org/10.1063/1.4773191	journal	December 2012
Strong Coupling and Degeneracy Effects in Inertial Confinement Fusion Implosions Hu, S. X.; Militzer, B.; Goncharov, V. N. Physical Review Letters, Vol. 104, Issue 23 https://doi.org/10.1103/PhysRevLett.104.235003	journal	June 2010
Erratum: Optimized norm-conserving Vanderbilt pseudopotentials [Phys. Rev. B 88, 085117 (2013)] Hamann, D. R. Physical Review B, Vol. 95, Issue 23 https://doi.org/10.1103/PhysRevB.95.239906	journal	June 2017
Measurement of High-Pressure Shock Waves in Cryogenic Deuterium-Tritium Ice Layered Capsule Implosions on NIF Robey, H. F.; Moody, J. D.; Celliers, P. M. Physical Review Letters, Vol. 111, Issue 6 https://doi.org/10.1103/PhysRevLett.111.065003	journal	August 2013
Dante soft x-ray power diagnostic for National Ignition Facility Dewald, E. L.; Campbell, K. M.; Turner, R. E. Review of Scientific Instruments, Vol. 75, Issue 10 https://doi.org/10.1063/1.1788872	journal	October 2004
Optical properties of plasmas based on an average-atom model Johnson, W. R.; Guet, C.; Bertsch, G. F. Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 99, Issue 1-3 https://doi.org/10.1016/j.jqsrt.2005.05.026	journal	May 2006
Ab initio molecular dynamics simulations of dense boron plasmas up to the semiclassical Thomas-Fermi regime Mazevet, S.; Lambert, F.; Bottin, F. Physical Review E, Vol. 75, Issue 5 https://doi.org/10.1103/PhysRevE.75.056404	journal	May 2007
Path integrals in the theory of condensed helium Ceperley, D. M. Reviews of Modern Physics, Vol. 67, Issue 2 https://doi.org/10.1103/RevModPhys.67.279	journal	April 1995
Liquid boron: X-ray measurements and ab initio molecular dynamics simulations Price, David L.; Alatas, Ahmet; Hennet, Louis Physical Review B, Vol. 79, Issue 13 https://doi.org/10.1103/PhysRevB.79.134201	journal	April 2009
Optimization of a high-yield, low-areal-density fusion product source at the National Ignition Facility with applications in nucleosynthesis experiments Gatu Johnson, M.; Casey, D. T.; Hohenberger, M. Physics of Plasmas, Vol. 25, Issue 5 https://doi.org/10.1063/1.5017746	journal	May 2018
Determination of Phase Stability of Elemental Boron White, Mary Anne; Cerqueira, Anthony B.; Whitman, Catherine A. Angewandte Chemie, Vol. 127, Issue 12 https://doi.org/10.1002/ange.201409169	journal	January 2015
Improved tetrahedron method for Brillouin-zone integrations Blöchl, Peter E.; Jepsen, O.; Andersen, O. K. Physical Review B, Vol. 49, Issue 23 https://doi.org/10.1103/PhysRevB.49.16223	journal	June 1994
Equilibrium p-T Phase Diagram of Boron: Experimental Study and Thermodynamic Analysis Solozhenko, Vladimir L.; Kurakevych, Oleksandr O. Scientific Reports, Vol. 3, Issue 1 https://doi.org/10.1038/srep02351	journal	August 2013
Path integral Monte Carlo simulations of dense carbon-hydrogen plasmas Zhang, Shuai; Militzer, Burkhard; Benedict, Lorin X. The Journal of Chemical Physics, Vol. 148, Issue 10 https://doi.org/10.1063/1.5001208	journal	March 2018
Crystal stability of $α$ - and $β$ -boron Masago, Akira; Shirai, Koun; Katayama-Yoshida, Hiroshi Physical Review B, Vol. 73, Issue 10 https://doi.org/10.1103/PhysRevB.73.104102	journal	March 2006
Electron Deformation Density in Rhombohedral α-Boron Will, Georg; Kiefer, Bodo Zeitschrift für anorganische und allgemeine Chemie, Vol. 627, Issue 9 https://doi.org/10.1002/1521-3749(200109)627:9%3C2100::AID-ZAAC2100%3E3.0.CO;2-G	journal	September 2001
Line-imaging velocimeter for shock diagnostics at the OMEGA laser facility Celliers, P. M.; Bradley, D. K.; Collins, G. W. Review of Scientific Instruments, Vol. 75, Issue 11 https://doi.org/10.1063/1.1807008	journal	November 2004
Statistical mechanics of Coulomb gases of arbitrary charge Rogers, F. J. Physical Review A, Vol. 10, Issue 6 https://doi.org/10.1103/PhysRevA.10.2441	journal	December 1974
Superhard Semiconducting Optically Transparent High Pressure Phase of Boron Zarechnaya, E. Yu.; Dubrovinsky, L.; Dubrovinskaia, N. Physical Review Letters, Vol. 102, Issue 18 https://doi.org/10.1103/PhysRevLett.102.185501	journal	May 2009
First-principles equation of state and electronic properties of warm dense oxygen Driver, K. P.; Soubiran, F.; Zhang, Shuai The Journal of Chemical Physics, Vol. 143, Issue 16 https://doi.org/10.1063/1.4934348	journal	October 2015
Comparison of solid-state crystallization of boron polymorphs at ambient and high pressures Kurakevych, Oleksandr O.; Le Godec, Yann; Hammouda, Tahar High Pressure Research, Vol. 32, Issue 1 https://doi.org/10.1080/08957959.2011.635145	journal	March 2012
Phase diagram of boron crystals Shirai, Koun Japanese Journal of Applied Physics, Vol. 56, Issue 5S3 https://doi.org/10.7567/JJAP.56.05FA06	journal	April 2017
Large-scale quantum mechanical simulations of high-Z metals Yang, L. H.; Hood, Randolph Q.; Pask, J. E. Journal of Computer-Aided Materials Design, Vol. 14, Issue 3 https://doi.org/10.1007/s10820-007-9053-1	journal	July 2007
Imperfect Crystal and Unusual Semiconductor: Boron, a Frustrated Element Ogitsu, Tadashi; Gygi, François; Reed, John Journal of the American Chemical Society, Vol. 131, Issue 5 https://doi.org/10.1021/ja807622w	journal	February 2009
Equation of State of the Hydrogen Plasma by Path Integral Monte Carlo Simulation Pierleoni, C.; Ceperley, D. M.; Bernu, B. Physical Review Letters, Vol. 73, Issue 16 https://doi.org/10.1103/PhysRevLett.73.2145	journal	October 1994
Structure measurements of compressed liquid boron at megabar pressures Pape, Sebastien Le; Correa, Alfredo A.; Fortmann, Carsten New Journal of Physics, Vol. 15, Issue 8 https://doi.org/10.1088/1367-2630/15/8/085011	journal	August 2013
Liquid–liquid phase transition in hydrogen by coupled electron–ion Monte Carlo simulations Pierleoni, Carlo; Morales, Miguel A.; Rillo, Giovanni Proceedings of the National Academy of Sciences, Vol. 113, Issue 18 https://doi.org/10.1073/pnas.1603853113	journal	April 2016
First-principles equation of state and shock compression predictions of warm dense hydrocarbons Zhang, Shuai; Driver, Kevin P.; Soubiran, François Physical Review E, Vol. 96, Issue 1 https://doi.org/10.1103/PhysRevE.96.013204	journal	July 2017
Very-high-temperature molecular dynamics Lambert, Flavien; Clérouin, Jean; Zérah, Gilles Physical Review E, Vol. 73, Issue 1 https://doi.org/10.1103/PhysRevE.73.016403	journal	January 2006
Localization and Screening Enhancement in Asymmetric Binary Ionic Mixtures: Localization and Screening Enhancement in Asymmetric Binary Ionic Mixtures Whitley, H. D.; Alley, W. E.; Cabot, W. H. Contributions to Plasma Physics, Vol. 55, Issue 5 https://doi.org/10.1002/ctpp.201400106	journal	April 2015
Optimized norm-conserving Vanderbilt pseudopotentials Hamann, D. R. Physical Review B, Vol. 88, Issue 8 https://doi.org/10.1103/PhysRevB.88.085117	journal	August 2013
Large-eddy and unsteady RANS simulations of a shock-accelerated heavy gas cylinder Morgan, B. E.; Greenough, J. A. Shock Waves, Vol. 26, Issue 4 https://doi.org/10.1007/s00193-015-0566-3	journal	April 2015
Equation of state, adiabatic sound speed, and Grüneisen coefficient of boron carbide along the principal Hugoniot to 700 GPa Fratanduono, D. E.; Celliers, P. M.; Braun, D. G. Physical Review B, Vol. 94, Issue 18 https://doi.org/10.1103/PhysRevB.94.184107	journal	November 2016
Development of Path Integral Monte Carlo Simulations with Localized Nodal Surfaces for Second-Row Elements Militzer, Burkhard; Driver, Kevin P. Physical Review Letters, Vol. 115, Issue 17 https://doi.org/10.1103/PhysRevLett.115.176403	journal	October 2015
The National Ignition Facility: Ushering in a new age for high energy density science Moses, E. I.; Boyd, R. N.; Remington, B. A. Physics of Plasmas, Vol. 16, Issue 4 https://doi.org/10.1063/1.3116505	journal	April 2009
A unified formulation of the constant temperature molecular dynamics methods Nosé, Shuichi The Journal of Chemical Physics, Vol. 81, Issue 1 https://doi.org/10.1063/1.447334	journal	July 1984
First Measurements of Hydrodynamic Instability Growth in Indirectly Driven Implosions at Ignition-Relevant Conditions on the National Ignition Facility Smalyuk, V. A.; Casey, D. T.; Clark, D. S. Physical Review Letters, Vol. 112, Issue 18 https://doi.org/10.1103/PhysRevLett.112.185003	journal	May 2014
Formation of composites in equilibrium plasmas Rogers, F. J. Physical Review A, Vol. 19, Issue 1 https://doi.org/10.1103/PhysRevA.19.375	journal	January 1979
First-principles simulations and shock Hugoniot calculations of warm dense neon Driver, K. P.; Militzer, B. Physical Review B, Vol. 91, Issue 4 https://doi.org/10.1103/PhysRevB.91.045103	journal	January 2015
Development and modeling of a polar-direct-drive exploding pusher platform at the National Ignition Facility Ellison, C. Leland; Whitley, Heather D.; Brown, Colin R. D. Physics of Plasmas, Vol. 25, Issue 7 https://doi.org/10.1063/1.5025724	journal	July 2018
First-principles equation of state calculations of warm dense nitrogen Driver, K. P.; Militzer, B. Physical Review B, Vol. 93, Issue 6 https://doi.org/10.1103/PhysRevB.93.064101	journal	February 2016
Purgatorio—a new implementation of the Inferno algorithm Wilson, B.; Sonnad, V.; Sterne, P. Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 99, Issue 1-3 https://doi.org/10.1016/j.jqsrt.2005.05.053	journal	May 2006
All-Electron Path Integral Monte Carlo Simulations of Warm Dense Matter: Application to Water and Carbon Plasmas Driver, K. P.; Militzer, B. Physical Review Letters, Vol. 108, Issue 11 https://doi.org/10.1103/PhysRevLett.108.115502	journal	March 2012
High-mode Rayleigh-Taylor growth in NIF ignition capsules Hammel, B. A.; Haan, S. W.; Clark, D. S. High Energy Density Physics, Vol. 6, Issue 2 https://doi.org/10.1016/j.hedp.2009.12.005	journal	June 2010
Equation of state, transport coefficients, and stopping power of dense plasmas from the average-atom model self-consistent approach for astrophysical and laboratory plasmas Faussurier, Gérald; Blancard, Christophe; Cossé, Philippe Physics of Plasmas, Vol. 17, Issue 5 https://doi.org/10.1063/1.3420276	journal	May 2010
Pressure and electrical resistivity measurements on hot expanded nickel: Comparisons with quantum molecular dynamics simulations and average atom approaches Clérouin, Jean; Starrett, Charles; Faussurier, Gérald Physical Review E, Vol. 82, Issue 4 https://doi.org/10.1103/PhysRevE.82.046402	journal	October 2010
Astrophysical Opacity Rogers, F. J.; Iglesias, C. A. Science, Vol. 263, Issue 5143 https://doi.org/10.1126/science.263.5143.50	journal	January 1994
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
Phase stability in $α$ - and $β$ -rhombohedral boron Shang, Shunli; Wang, Yi; Arroyave, Raymundo Physical Review B, Vol. 75, Issue 9 https://doi.org/10.1103/PhysRevB.75.092101	journal	March 2007
An Optimized Method for Treating Long-Range Potentials Natoli, Vincent; Ceperley, David M. Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1054	journal	March 1995
Occupation numbers for reacting plasmas - The role of the Planck-Larkin partition function Rogers, F. J. The Astrophysical Journal, Vol. 310 https://doi.org/10.1086/164725	journal	November 1986
Equation of state and transport coefficients for dense plasmas Blancard, C.; Faussurier, G. Physical Review E, Vol. 69, Issue 1 https://doi.org/10.1103/PhysRevE.69.016409	journal	January 2004
Simulations of dense atomic hydrogen in the Wigner crystal phase Militzer, Burkhard; Graham, Rebekah L. Journal of Physics and Chemistry of Solids, Vol. 67, Issue 9-10 https://doi.org/10.1016/j.jpcs.2006.05.015	journal	September 2006
Hugoniot and release measurements in diamond shocked up to 26 Mbar Gregor, M. C.; Fratanduono, D. E.; McCoy, C. A. Physical Review B, Vol. 95, Issue 14 https://doi.org/10.1103/PhysRevB.95.144114	journal	April 2017
Equation of state and shock compression of warm dense sodium—A first-principles study Zhang, Shuai; Driver, Kevin P.; Soubiran, François The Journal of Chemical Physics, Vol. 146, Issue 7 https://doi.org/10.1063/1.4976559	journal	February 2017
First Principles Calculations of Shock Compressed Fluid Helium Militzer, B. Physical Review Letters, Vol. 97, Issue 17 https://doi.org/10.1103/PhysRevLett.97.175501	journal	October 2006
Self-consistent field model for condensed matter Liberman, David A. Physical Review B, Vol. 20, Issue 12 https://doi.org/10.1103/PhysRevB.20.4981	journal	December 1979
Thermal Properties of the Inhomogeneous Electron Gas Mermin, N. David Physical Review, Vol. 137, Issue 5A https://doi.org/10.1103/PhysRev.137.A1441	journal	March 1965
Simulation of quantum many-body systems by path-integral methods Pollock, E. L.; Ceperley, D. M. Physical Review B, Vol. 30, Issue 5 https://doi.org/10.1103/PhysRevB.30.2555	journal	September 1984
First-principles equation-of-state table of deuterium for inertial confinement fusion applications Hu, S. X.; Militzer, B.; Goncharov, V. N. Physical Review B, Vol. 84, Issue 22 https://doi.org/10.1103/PhysRevB.84.224109	journal	December 2011
Thermodynamic Stability of Boron: The Role of Defects and Zero Point Motion van Setten, Michiel J.; Uijttewaal, Matthé A.; de Wijs, Gilles A. Journal of the American Chemical Society, Vol. 129, Issue 9 https://doi.org/10.1021/ja0631246	journal	March 2007
OPAL Equation-of-State Tables for Astrophysical Applications Rogers, Forrest J.; Swenson, Fritz J.; Iglesias, Carlos A. The Astrophysical Journal, Vol. 456 https://doi.org/10.1086/176705	journal	January 1996
Experimental pressure-temperature phase diagram of boron: resolving the long-standing enigma Parakhonskiy, Gleb; Dubrovinskaia, Natalia; Bykova, Elena Scientific Reports, Vol. 1, Issue 1 https://doi.org/10.1038/srep00096	journal	September 2011
Calculation of a Deuterium Double Shock Hugoniot from Ab Initio Simulations Militzer, B.; Ceperley, D. M.; Kress, J. D. Physical Review Letters, Vol. 87, Issue 27 https://doi.org/10.1103/PhysRevLett.87.275502	journal	December 2001
Determination of Phase Stability of Elemental Boron White, Mary Anne; Cerqueira, Anthony B.; Whitman, Catherine A. Angewandte Chemie International Edition, Vol. 54, Issue 12 https://doi.org/10.1002/anie.201409169	journal	January 2015
Thermodynamic Stability of Boron: The Role of Defects and Zero Point Motion van Setten, Michiel J.; Uijttewaal, Matthe A.; de Wijs, Gilles A. ChemInform, Vol. 38, Issue 18 https://doi.org/10.1002/chin.200718006	journal	May 2007
Ionic high-pressure form of elemental boron Oganov, Artem R.; Chen, Jiuhua; Gatti, Carlo Nature, Vol. 460, Issue 7252 https://doi.org/10.1038/nature08164	journal	July 2009
Amorphization-induced surface electronic states modulation of cobaltous oxide nanosheets for lithium-sulfur batteries Li, Ruilong; Rao, Dewei; Zhou, Jianbin Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-23349-9	journal	May 2021
Phase Diagram of Hydrogen and a Hydrogen-Helium Mixture at Planetary Conditions by Quantum Monte Carlo Simulations Mazzola, Guglielmo; Helled, Ravit; Sorella, Sandro American Physical Society https://doi.org/10.5167/uzh-157116	text	January 2018
Phase diagram of hydrogen and a hydrogen-helium mixture at planetary conditions by Quantum Monte Carlo simulations Mazzola, Guglielmo; Helled, Ravit; Sorella, Sandro ETH Zurich https://doi.org/10.3929/ethz-b-000224874	text	January 2017
Comparison of solid state crystallization of boron polymorphs at ambient and high pressures Kurakevych, Oleksandr O.; Godec, Yann Le; Hammouda, Tahar arXiv https://doi.org/10.48550/arxiv.1110.1731	text	January 2011
Development of Path Integral Monte Carlo Simulations with Localized Nodal Surfaces for Second-Row Elements Militzer, Burkhard; Driver, Kevin P. arXiv https://doi.org/10.48550/arxiv.1510.07278	text	January 2015
First-Principles Equation of State and Electronic Properties of Warm Dense Oxygen Driver, K. P.; Soubiran, F.; Zhang, Shuai arXiv https://doi.org/10.48550/arxiv.1601.05782	text	January 2016
First-Principles Simulations of Warm Dense Lithium Fluoride Driver, K. P.; Militzer, B. arXiv https://doi.org/10.48550/arxiv.1704.05197	text	January 2017
First-principles Equation of State and Shock Compression Predictions of Warm Dense Hydrocarbons Zhang, Shuai; Driver, Kevin P.; Soubiran, François arXiv https://doi.org/10.48550/arxiv.1706.09073	text	January 2017
Calculation of a Deuterium Double Shock Hugoniot from Ab initio Simulations Militzer, B.; Ceperley, D. M.; Kress, J. D. arXiv https://doi.org/10.48550/arxiv.cond-mat/0108076	text	January 2001
Simulations of Dense Atomic Hydrogen in the Wigner Crystal Phase Militzer, Burkhard; Graham, Rebekah L. arXiv https://doi.org/10.48550/arxiv.cond-mat/0506463	text	January 2005
First Principles Calculations of Shock Compressed Fluid Helium Militzer, B. arXiv https://doi.org/10.48550/arxiv.cond-mat/0609640	text	January 2006

Cited By (3)

Electronic structure of first and second row atoms under harmonic confinement Robles‐Navarro, Andrés; Fuentealba, Patricio; Muñoz, Francisco International Journal of Quantum Chemistry, Vol. 120, Issue 7 https://doi.org/10.1002/qua.26132	journal	December 2019
Magnesium oxide at extreme temperatures and pressures studied with first-principles simulations Soubiran, François; González-Cataldo, Felipe; Driver, Kevin P. The Journal of Chemical Physics, Vol. 151, Issue 21 https://doi.org/10.1063/1.5126624	journal	December 2019
Pressure and energy of compressional shocks in two-dimensional Yukawa systems Lin, Wei; Murillo, M. S.; Feng, Yan Physical Review E, Vol. 100, Issue 4 https://doi.org/10.1103/physreve.100.043203	journal	October 2019

Similar Records

Equation of state and shock compression of warm dense sodium—A first-principles study

Journal Article · Tue Feb 21 00:00:00 EST 2017 · Journal of Chemical Physics · OSTI ID:1512581

Zhang, Shuai; Driver, Kevin P.; Soubiran, Francois; +1 more

Equation of state of boron nitride combining computation, modeling, and experiment

Journal Article · Wed Apr 03 00:00:00 EDT 2019 · Physical Review B · OSTI ID:1512581

Zhang, Shuai; Lazicki, Amy; Militzer, Burkhard; +18 more

First-principles simulations of warm dense lithium fluoride

Journal Article · Fri Apr 14 00:00:00 EDT 2017 · Physical Review. E · OSTI ID:1512581

Driver, K. P.; Militzer, B.

Related Subjects

70 PLASMA PHYSICS AND FUSION TECHNOLOGY

Title: Theoretical and experimental investigation of the equation of state of boron plasmas

Citation Formats

References (115)

Cited By (3)

Similar Records

Related Subjects