Bridging Atomistic/Continuum Scales in Solids with Moving Dislocations  

作　　者：唐少强 LIU Wing K KARPOV Eduard G. 侯一钊 

机构地区：[1]LTCS, Department of Mechanics and Aerospace Engineering, Peking University, Beijing 100871 [2]Department of Mechanical Engineering, Northwestern University, Evanston, IL 60208, USA [3]Applied and Computational Mathematics, California Institute of Technology, Pasadena, CA 91125, USA

出　　处：《Chinese Physics Letters》2007年第1期161-164,共4页中国物理快报（英文版）

摘　　要：We propose a multiscale method for simulating solids with moving dislocations. Away from atomistic subdomains where the atomistic dynamics are fully resolved, a dislocation is represented by a localized jump profile, superposed on a defect-free field. We assign a thin relay zone around an atomistic subdomain to detect the dislocation profile and its propagation speed at a selected relay time. The detection technique utilizes a lattice time history integral treatment. After the relay, an atomistic computation is performed only for the defect-free field. The method allows one to effectively absorb the fine scale fluctuations and the dynamic dislocations at the interface between the atomistic and continuum domains. In the surrounding region, a coarse grid computation is adequate.We propose a multiscale method for simulating solids with moving dislocations. Away from atomistic subdomains where the atomistic dynamics are fully resolved, a dislocation is represented by a localized jump profile, superposed on a defect-free field. We assign a thin relay zone around an atomistic subdomain to detect the dislocation profile and its propagation speed at a selected relay time. The detection technique utilizes a lattice time history integral treatment. After the relay, an atomistic computation is performed only for the defect-free field. The method allows one to effectively absorb the fine scale fluctuations and the dynamic dislocations at the interface between the atomistic and continuum domains. In the surrounding region, a coarse grid computation is adequate.

分 类 号：O56[理学—原子与分子物理]