Centre for Fusion, Space and Astrophysics, Department of Physics, University of Warwick, Coventry CV4 7AL, United Kingdom.
Phys Rev Lett. 2012 Nov 30;109(22):225001. doi: 10.1103/PhysRevLett.109.225001. Epub 2012 Nov 28.
The dynamics of the ion structure in warm dense matter is determined by molecular dynamics simulations using an effective ion-ion potential. This potential is obtained from ab initio simulations and has a strong short-range repulsion added to a screened Coulomb potential. Models based on static or dynamic local field corrections are found to be insufficient to describe the data. An extended Mermin approach, a hydrodynamic model, and the method of moments with local constraints are capable of reproducing the numerical results but have rather limited predictive powers as they all need some numerical data as input. The method of moments is found to be the most promising.
使用有效离子-离子势进行分子动力学模拟来确定温稠密物质中离子结构的动力学。该势由从头算模拟获得，并在屏蔽库仑势上添加了强烈的短程排斥。发现基于静态或动态局部场修正的模型不足以描述数据。扩展的默敏方法、流体力学模型和带有局部约束的矩方法能够再现数值结果，但它们都需要一些数值数据作为输入，因此预测能力相当有限。矩方法被发现是最有前途的方法。
