• CN: 11-2187/TH
  • ISSN: 0577-6686

›› 2007, Vol. 43 ›› Issue (8): 101-108.

• Article • Previous Articles     Next Articles

QUASICONTINUUM METHOD AND ITS APPLICATIONS

NI Yushan;WANG Huatao   

  1. Department of Mechanics & Engineering Science, Fudan University
  • Published:2007-08-15

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

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