Molecular dynamics simulations of dense plasmas

Conference · Tue Jan 10 04:00:00 EST 1995 · AIP Conference Proceedings (American Institute of Physics); (United States)

OSTI ID:6848463

Collins, L; Kress, J; Kwon, I ^[1]; Lynch, D ^[2]; Troullier, N ^[3]

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1. Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)
2. Thinking Machines Corp., Cambridge, Massachusetts 02142 (United States)
3. Department of Computer Science and Dept. of Chemical Engineering and Material Science, University of Minnesota, Minneapolis, Minnesota 55455 (United States)

We have performed quantum molecular dynamics simulations of hot, dense plasmas of hydrogen over a range of temperatures (0.1--5 eV) and densities (0.0625--5 g/cc). We determine the forces quantum mechanically from density functional, extended Huckel, and tight binding techniques and move the nuclei according to the classical equations of motion. We determine pair-correlation functions, diffusion coefficients, and electrical conductivities. We find that many-body effects predominate in this regime. We begin to obtain agreement with the OCP and Thomas-Fermi models only at the higher temperatures and densities. [copyright] 1995 [ital American] [ital Institute] [ital of] [ital Physics]

• OSTI ID: 6848463
• Report Number(s): CONF-9309119--
• Conference Information: Journal Name: AIP Conference Proceedings (American Institute of Physics); (United States) Journal Volume: 322:1
• Country of Publication: United States
• Language: English

Related Subjects

70 PLASMA PHYSICS AND FUSION TECHNOLOGY
700330* -- Plasma Kinetics
Transport
& Impurities-- (1992-)
COLLECTIVE MODEL
CORRELATION FUNCTIONS
DIFFUSION
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
ELEMENTS
FUNCTIONS
HOT PLASMA
HYDROGEN
MATHEMATICAL MODELS
MECHANICS
NONMETALS
NUCLEAR MODELS
PHYSICAL PROPERTIES
PLASMA
PLASMA DENSITY
PLASMA SIMULATION
QUANTUM MECHANICS
SIMULATION