Molecular dynamics simulations of dense plasmas

Conference · Fri Dec 31 00:00:00 EST 1993

OSTI ID:10114141

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

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1. Los Alamos National Lab., NM (United States)
2. Thinking Machines Corp., Cambridge, MA (United States)
3. Minnesota Univ., Minneapolis, MN (United States)

We have performed quantum molecular dynamics simulations of hot, dense plasmas of hydrogen over a range of temperatures(0.1-5eV) and densities(0.0625-5g/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.

• Research Organization: Los Alamos National Lab., NM (United States)
• Sponsoring Organization: USDOE, Washington, DC (United States)
• DOE Contract Number: W-7405-ENG-36
• OSTI ID: 10114141
• Report Number(s): LA-UR-93-4474; CONF-9309320-1; ON: DE94005082
• Resource Relation: Conference: American Physical Society conference,San Antonio, TX (United States),Sep 1993; Other Information: PBD: [1993]
• Country of Publication: United States
• Language: English

Related Subjects

70 PLASMA PHYSICS AND FUSION TECHNOLOGY
TOKAMAK DEVICES
PLASMA SIMULATION
INERTIAL CONFINEMENT
EQUATIONS OF MOTION
HAMILTONIANS
MOLECULES
QUANTUM MECHANICS
DISTRIBUTION FUNCTIONS
700330
PLASMA KINETICS, TRANSPORT, AND IMPURITIES