Quantum molecular dynamics study of warm dense iron

Cong Wang, Zhe-Bin Wang, Qi-Feng Chen, and Ping Zhang
Phys. Rev. E 89, 023101 – Published 6 February 2014

Abstract

The equation of state, the self-diffusion coefficient and viscosity of fluid iron in the warm dense regime at densities from 12.5 to 25.0g/cm3, and temperatures from 0.5 to 15.0 eV have been calculated via quantum molecular dynamics simulations. The principal Hugoniot is in good agreement with nuclear explosive experiments up to 50Mbar but predicts lower pressures compared with high intensity laser results. The self-diffusion coefficient and viscosity have been simulated and have been compared with the one-component plasma model. The Stokes-Einstein relationship, defined by connections between the viscosity and the self-diffusion coefficient, has been determined and has been found to be fairly well described by classical predictions.

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  • Received 28 October 2013

DOI:https://doi.org/10.1103/PhysRevE.89.023101

©2014 American Physical Society

Authors & Affiliations

Cong Wang1,2, Zhe-Bin Wang3, Qi-Feng Chen4, and Ping Zhang1,2,*

  • 1Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088, People's Republic of China
  • 2Center for Applied Physics and Technology, Peking University, Beijing 100871, People's Republic of China
  • 3Research Center of Laser Fusion, China Academy of Engineering Physics, Mianyang 621900, People's Republic of China
  • 4Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621900, People's Republic of China

  • *Corresponding author: zhang_ping@iapcm.ac.cn

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Vol. 89, Iss. 2 — February 2014

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