Quasicontinuum Models of Interfacial Structure and Deformation

Details Quasicontinuum Models of Interfacial Structure and Deformation Quasicontinuum Models of Interfacial Structure and Deformation

1997-07-09

arxiv.org/abs/cond-mat/9707094v1

Physics

Condensed Matter

Materials Science

RevTex, 4 pages, 4 figures

Scientific paper

10.1103/PhysRevLett.80.742

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 extended to examine the interaction 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 stress to nucleate a dislocation at a step on a GB and the force needed to induce GB migration.

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