A damping boundary condition for atomistic-continuum coupling  

作　　者：张杰 Kiet Tieu Guillaume Michal 朱洪涛 张亮 苏利红 邓关宇 王辉 

机构地区：[1]School of Mechanical,Materials,and Mechatronic Engineering,University of Wollongong [2]Department of Materials Science and Engineering,Kyoto University

出　　处：《Chinese Physics B》2017年第6期508-515,共8页中国物理B（英文版）

基　　金：the financially support from the Japan Society for the promotion of Science (JSPS) for his fellowship

摘　　要：The minimization of spurious wave reflection is a challenge in multiscale coupling due to the difference of spatial resolution between atomistic and continuum regions. In this study, a new damping condition is presented for eliminating spurious wave reflection at the interface between atomistic and continuum regions. This damping method starts by a coarse–fine decomposition of the atomic velocity based on the bridging scale method. The fine scale velocity of the atoms in the damping region is reduced by applying nonlinear damping coefficients. The effectiveness of this damping method is verified by one-and two-dimensional simulations.The minimization of spurious wave reflection is a challenge in multiscale coupling due to the difference of spatial resolution between atomistic and continuum regions. In this study, a new damping condition is presented for eliminating spurious wave reflection at the interface between atomistic and continuum regions. This damping method starts by a coarse–fine decomposition of the atomic velocity based on the bridging scale method. The fine scale velocity of the atoms in the damping region is reduced by applying nonlinear damping coefficients. The effectiveness of this damping method is verified by one-and two-dimensional simulations.

关 键 词：multiscale modeling spurious wave reflection coarse-fine decomposition nonlinear damping 

分 类 号：TB383.1[一般工业技术—材料科学与工程]