多尺度仿真方法研究综述

Overview of Multiscale Simulation Method Research

多尺度仿真方法结合了分子动力学方法和有限元原理,可以跨越从宏观到微观的多个尺度,具有分子动力学的精确性,而且计算量相对较小,扩展了分子动力学的应用范围。介绍了国外的多尺度仿真方法的发展及应用概况,阐述了几种较成熟的多尺度仿真方法的基本原理,指出了各自特点及不足,最后对其发展方向作了展望。

Multiscale simulation method, combing molecular dynamics and finite element method, not only has the MD＇s precision, but also exceeds its range of application from microscale to marcroscale and owns small calculating amount relatively, expanding the range of application of molecular dynamics. The development and application of several multiscale simulation methods were introduced, focusing on the basic principles of some comparatively advanced ones. Then their advantages and disadvantages were discussed. Finally, the future development of this method was predicted.