A New Method for Coupled Elastic-Atomistic Modelling
A New Method for Coupled Elastic-Atomistic Modelling
复制标题
耦合弹性原子建模的新方法
DOI：
--
复制
发表时间：
1989
期刊：
影响因子：
--
通讯作者：
S. Schmauder
中科院分区：
文献类型：
--
作者：
S. Kohlhoff;S. Schmauder
分子动力学和分子静力学已成为晶体缺陷模型研究的重要工具。尽管计算机的能力不断提高，但能用这些方法处理的模型的大小是非常有限的。因此，为了避免表面效应，通常采用以下技术之一：
Molecular Dynamics and Molecular Statics have become important tools for model investigations of crystal defects. In spite of the ever increasing computer power the size of the models which can be treated by these methods is very limited. Therefore, in order to avoid surface effects it is common practice to employ one of the following techniques:
periodic boundary conditions or
semidiscrete methods.