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    Molecular dynamics simulations and generalized Lenard-Balescu calculations of electron-ion temperature equilibration in plasmas

    Lorin X. Benedict1, Michael P. Surh1, John I. Castor1, Saad A. Khairallah1, Heather D. Whitley1, David F. Richards1, James N. Glosli1, Michael S. Murillo2, Christian R. Scullard1 et al.

    Paul E. Grabowski2, David Michta1,3, and Frank R. Graziani1

    • 1Lawrence Livermore National Laboratory, Livermore, California 94550, USA
    • 2Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA
    • 3Princeton Plasma Physics Laboratory, Princeton University, Princeton, New Jersey 08543, USA

    Phys. Rev. E 86, 046406 – Published 25 October, 2012

    DOI: https://doi.org/10.1103/PhysRevE.86.046406

    Abstract

    We study the problem of electron-ion temperature equilibration in plasmas. We consider pure H at various densities and temperatures and Ar-doped H at temperatures high enough so that the Ar is fully ionized. Two theoretical approaches are used: classical molecular dynamics (MD) with statistical two-body potentials and a generalized Lenard-Balescu (GLB) theory capable of treating multicomponent weakly coupled plasmas. The GLB is used in two modes: (1) with the quantum dielectric response in the random-phase approximation (RPA) together with the pure Coulomb interaction and (2) with the classical (ℏ→0) dielectric response (both with and without local-field corrections) together with the statistical potentials. We find that the MD results are described very well by classical GLB including the statistical potentials and without local-field corrections (RPA only); worse agreement is found when static local-field effects are included, in contradiction to the classical pure-Coulomb case with like charges. The results of the various approaches are all in excellent agreement with pure-Coulomb quantum GLB when the temperature is high enough. In addition, we show that classical calculations with statistical potentials derived from the exact quantum two-body density matrix produce results in far better agreement with pure-Coulomb quantum GLB than classical calculations performed with older existing statistical potentials.

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