Partial ionization in dense plasmas: Comparisons among average-atom density functional models

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Journal titlePhysical Review E - Statistical, Nonlinear, and Soft Matter Physics
Article number63113
SubjectAverage-atom model; Density-functional models; Electron degeneracy; Exchange and correlation; Pair distribution functions; Thomas-Fermi model; Warm dense matters; X ray Thomson scattering; Atoms; Equations of state; Ionization; Plasma applications; Transport properties; Plasmas
AbstractNuclei interacting with electrons in dense plasmas acquire electronic bound states, modify continuum states, generate resonances and hopping electron states, and generate short-range ionic order. The mean ionization state (MIS), i.e, the mean charge Z of an average ion in such plasmas, is a valuable concept: Pseudopotentials, pair-distribution functions, equations of state, transport properties, energy-relaxation rates, opacity, radiative processes, etc., can all be formulated using the MIS of the plasma more concisely than with an all-electron description. However, the MIS does not have a unique definition and is used and defined differently in different statistical models of plasmas. Here, using the MIS formulations of several average-atom models based on density functional theory, we compare numerical results for Be, Al, and Cu plasmas for conditions inclusive of incomplete atomic ionization and partial electron degeneracy. By contrasting modern orbital-based models with orbital-free Thomas-Fermi models, we quantify the effects of shell structure, continuum resonances, the role of exchange and correlation, and the effects of different choices of the fundamental cell and boundary conditions. Finally, the role of the MIS in plasma applications is illustrated in the context of x-ray Thomson scattering in warm dense matter. © 2013 American Physical Society.
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AffiliationNational Research Council Canada (NRC-CNRC)
Peer reviewedYes
NPARC number21270612
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Record identifier38a34f22-d771-4a9f-b566-8138d6c9bb90
Record created2014-02-17
Record modified2016-05-09
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