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

We report a theoretical equation of state (EOS) table for boron across a wide range of temperatures (5.1\(\times\)10\(^4\)-5.2\(\times\)10\(^8\) K) and densities (0.25-49 g/cm\(^3\)), and experimental shock Hugoniot data at unprecedented high pressures (5608\(\pm\)118 GPa). The calculations are perf...

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Veröffentlicht in:	arXiv.org 2018-04
Hauptverfasser:	Zhang, Shuai, Militzer, Burkhard, Gregor, Michelle C, Caspersen, Kyle, Yang, Lin H, Ogitsu, Tadashi, Swift, Damian, Lazicki, Amy, Erskine, D, London, Richard A, Celliers, P M, Nilsen, Joseph, Sterne, Philip A, Whitley, Heather D
Format:	Artikel
Sprache:	eng
Schlagworte:	Boron Computer simulation Density functional theory Design engineering Equations of state Explosive plating First principles Flux density Hugoniot curves Ionization Mathematical analysis Molecular dynamics Monte Carlo simulation Physics - Computational Physics Physics - Materials Science Physics - Plasma Physics Physics - Solar and Stellar Astrophysics Plasmas (physics) Pressure effects
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Zusammenfassung:	We report a theoretical equation of state (EOS) table for boron across a wide range of temperatures (5.1\(\times\)10\(^4\)-5.2\(\times\)10\(^8\) K) and densities (0.25-49 g/cm\(^3\)), and experimental shock Hugoniot data at unprecedented high pressures (5608\(\pm\)118 GPa). The calculations are performed with full, 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 \(
ISSN:	2331-8422
DOI:	10.48550/arxiv.1804.11322