Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics · 2002 · 62 citations · 27 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsPlasma PhysicsDensity Functional TheoryElectrical ConductivityHigh-temperature PlasmasMetalsPlasma SimulationStrongly Coupled PlasmasAb Initio Molecular CalculationsAb Initio Molecular DynamicsAb Initio SimulationsElectrical Conductivity In PlasmasElectrical Conductivity MeasurementsElectrical Conductivity ModelingKubo-greenwood ConductivityLocal Density Approximation
Experimental measurements and theoretical calculations of the electrical conductivity of aluminum are presented in the strongly coupled partially degenerate regime (rho=0.3 g/cm(3), 5000<T<15 000 K). The experiments were performed in an isochoric plasma closed vessel designed to confine electrical plasma discharges up to 1.5 GPa. Aluminum properties were determined theoretically by ab initio molecular dynamics simulations in the local density approximation, from which the conductivity was computed using the Kubo-Greenwood formula. The theoretical results were validated in the dense coupled regime against previously published experimental results and then applied to our experimental low density regime, showing that the theoretical results overestimate the experimental conductivities.
27
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
<i>Ab initio</i>molecular dynamics for liquid metals
Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations
Natural Sciences, Chemistry, Physics +17
Efficient pseudopotentials for plane-wave calculations
N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations
Natural Sciences, Chemistry, Physics +14