关键词: 多尺度, 非局部区, 局部区, 耦合, 准连续介质方法

Abstract: One of the significant methods of multi-scale computer simulation named quasicontinuum method which is a mixed atomistic-continuum formulation is reviewed. The com-putational modeling related to atomistic/continuum coupling is introduced on the energetics of atomistic and continuum con-cepts and finite element methods. The coupled method with the disposal of the interface between the non-local field and the local field is discussed, which is to adopt different weight fac-tors to calculate the energy of the system in the two fields. Automatic mesh adaption is combined to ensure that full atom-istic detail is retained in regions of the problem where it is re-quired while continuum assumptions reduce the computational demand elsewhere. Recent advances and some applications of grain boundary deformation and fracture, nano-indentation and the interaction of dislocations are noted, and the further study and trends of this field are outlined.

Key words: Coupling, Local field, Multiscale, Non-local field, Quasicontinuum method