A method for tractable dynamical studies of single and double shock compression
A method for tractable dynamical studies of single and double shock compression
复制标题
DOI：
10.1103/physrevlett.90.235503
复制
发表时间：
2003-06-13
影响因子：
8.6
通讯作者：
Joannopoulos, JD
中科院分区：
文献类型：
--
作者：
Reed, EJ;Fried, LE;Joannopoulos, JD
提出了一种新的多尺度模拟方法，用于冲击材料的研究。该方法结合了分子动力学和可压缩流的欧拉方程。处理的困难问题的自发形成的多个冲击波，由于材料的不稳定性，使这种方法。该方法允许的数量级更长的时间周期比可能使用流行的非平衡态分子动力学方法的动态冲击条件下的系统的分子动力学模拟。给出了一个硅模型势的计算实例，计算加速比为10（5）。这些模拟的结果是一致的，最近的实验观察到的一个非常大的弹性前体的纳秒时间尺度。
A new multiscale simulation method is formulated for the study of shocked materials. The method combines molecular dynamics and the Euler equations for compressible flow. Treatment of the difficult problem of the spontaneous formation of multiple shock waves due to material instabilities is enabled with this approach. The method allows the molecular dynamics simulation of the system under dynamical shock conditions for orders of magnitude longer time periods than is possible using the popular nonequilibrium molecular dynamics approach. An example calculation is given for a model potential for silicon in which a computational speedup of 10(5) is demonstrated. Results of these simulations are consistent with the recent experimental observation of an anomalously large elastic precursor on the nanosecond time scale.