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Title: Equations of state and transport properties of mixtures in the warm dense regime

We have performed average-atom molecular dynamics to simulate the CH and LiH mixtures in the warm dense regime, and obtained equations of state and the ionic transport properties. The electronic structures are calculated by using the modified average-atom model, which have included the broadening of energy levels, and the ion-ion pair potentials of mixtures are constructed based on the temperature-dependent density functional theory. The ionic transport properties, such as ionic diffusion and shear viscosity, are obtained through the ionic velocity correlation functions. The equations of state and transport properties for carbon, hydrogen and lithium, hydrogen mixtures in a wide region of density and temperature are calculated. Through our computing the average ionization degree, average ion-sphere diameter and transition properties in the mixture, it is shown that transport properties depend not only on the ionic mass but also on the average ionization degree.
Authors:
; ; ;  [1] ;  [1] ;  [2]
  1. Department of Physics, College of Science, National University of Defense Technology, Changsha 410073 (China)
  2. (China)
Publication Date:
OSTI Identifier:
22408127
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physics of Plasmas; Journal Volume: 22; Journal Issue: 2; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 70 PLASMA PHYSICS AND FUSION TECHNOLOGY; ATOMIC MODELS; CARBON; CORRELATION FUNCTIONS; DIFFUSION; ELECTRONIC STRUCTURE; ENERGY LEVELS; EQUATIONS OF STATE; HYDROGEN; ION PAIRS; LITHIUM; LITHIUM HYDRIDES; MOLECULAR DYNAMICS METHOD; SHEAR; TEMPERATURE DEPENDENCE; VISCOSITY