Bridging Atomistic/Continuum Scales in Solids with Moving Dislocations
TANG Shao-Qiang1, LIU Wing K.2, KARPOV Eduard G.3, HOU Thomas Y.4
1LTCS, Department of Mechanics and Aerospace Engineering, Peking University, Beijing 100871
2Department of Mechanical Engineering, Northwestern University, Evanston, IL 60208, USA
3Department of Mechanical Engineering, Northwestern University, Evanston, IL 60208, USA
4Applied and Computational Mathematics, California Institute of Technology, Pasadena, CA 91125, USA
Bridging Atomistic/Continuum Scales in Solids with Moving Dislocations
TANG Shao-Qiang1;LIU Wing K.2;KARPOV Eduard G.3;HOU Thomas Y.4
1LTCS, Department of Mechanics and Aerospace Engineering, Peking University, Beijing 100871
2Department of Mechanical Engineering, Northwestern University, Evanston, IL 60208, USA
3Department of Mechanical Engineering, Northwestern University, Evanston, IL 60208, USA
4Applied and Computational Mathematics, California Institute of Technology, Pasadena, CA 91125, USA
Abstract： We propose a multiscale method for simulating solids with moving dislocations. Away from atomistic ubdomains 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.
(Theory of crystal structure, crystal symmetry; calculations and modeling)
引用本文:
TANG Shao-Qiang;LIU Wing K.;KARPOV Eduard G.;HOU Thomas Y.. Bridging Atomistic/Continuum Scales in Solids with Moving Dislocations[J]. 中国物理快报, 2007, 24(1): 161-164.
TANG Shao-Qiang, LIU Wing K., KARPOV Eduard G., HOU Thomas Y.. Bridging Atomistic/Continuum Scales in Solids with Moving Dislocations. Chin. Phys. Lett., 2007, 24(1): 161-164.
2007, Vol. 24 
