Quantum molecular dynamics study of warm dense iron
Quantum molecular dynamics study of warm dense iron
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温致密铁的量子分子动力学研究
DOI：
10.1103/physreve.89.023101
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发表时间：
2014-02-06
影响因子：
2.4
通讯作者：
Zhang, Ping
中科院分区：
文献类型：
--
作者：
Wang, Cong;Wang, Zhe-Bin;Zhang, Ping
通过量子分子动力学模拟计算了密度为 12.5 至 25.0 g/cm(3)、温度为 0.5 至 15.0 eV 时铁液的状态方程、自扩散系数和粘度。主要的 Hugoniot 与高达 50 Mbar 的核爆炸实验非常吻合，但与高强度激光结果相比，预测的压力更低。对自扩散系数和粘度进行了模拟，并与单组分等离子体模型进行了比较。由粘度和自扩散系数之间的联系定义的斯托克斯-爱因斯坦关系已经被确定，并且被发现可以通过经典预测很好地描述。
The equation of state, the self-diffusion coefficient and viscosity of fluid iron in the warm dense regime at densities from 12.5 to 25.0 g/cm(3), 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 similar to 50 Mbar 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.