Quasicontinuum Models of Interfacial Structure and Deformation
Microscopic models of the interaction between grain boundaries (GBs) and both dislocations and cracks are of importance in understanding the role of microstructure in altering the mechanical properties of a material. A recently developed mixed atomistic and continuum method is reformulated to allow for the examination of the interactions between GBs, dislocations, and cracks. These calculations elucidate plausible microscopic mechanisms for these defect interactions and allow for the quantitative evaluation of critical parameters such as the force needed to induce GB migration.
©1998 The American Physical Society Received 10 July 1997 We are grateful to C. Briant, R. Clifton, B. Gerberich, P. Hazzledine, S. Kumar, D. Rodney, and A. Schwartzman for discussions, to S. W. Sloan for use of his Delaunay triangulation code, and to M. Daw and S. Foiles for use of their DYNAMO code. We are also grateful to AFOSR who supported this work under Grant No. F49620-95-I-0264, the NSF through Grants No. CMS-9414648 and No. DMR-9632524, and the DOE through Grant No. DEFG02-95ER14561. R. M. acknowledges the support of the NSERC.