作者: James Chen , Xianqiao Wang , Huachuan Wang , James D. Lee
DOI: 10.1016/J.ENGFRACMECH.2009.11.017
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摘要: Abstract A multiscale approach is employed to investigate a center-cracked specimen with the purpose redefine fracture toughness from atomistic perspective and simulate different modes of crack propagation. The divided into three regions: (1) far field, modeled by classical mechanics, (2) near field theory analyzed generalized finite element method, (3) tip atomic region, molecular dynamics (MD). exact analytical solution utilized specify boundary conditions at interface between field. interaction region described full-blown interatomic forces. In this work, crystals perovskite (Barium Titanate) rocksalt (Magnesia) have been studied. Fracture defined as material property associated instability MD simulation. Mode I, II, mixed mode investigated numerical results will be presented discussed.