分子動力学法援用による破壊記述パラメータ

概要

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A molecular dynamics parameter (MDP), which J-integral is expanded to, is proposed for a molecular dynamics (MD) fracture simulation and is applied to a two-dimensional α-iron problem under simple tension. For this model a pair potential described by a polynomial expression is chosen as an interatomic potential. Closely packed lattice structures are assumed in the present calculation. The edge crack arranged in the middle of the analysis body is perpendicular to the tensile loading direction. The brittle fracture is analyzed under the fixed displacement boundary condition in the tensile deformation process. MDP_1 is calculated on several paths similarly to J-integral. MDP_1 increases slowly before fracture and decreases steeply after that in any path. In order to investigate the validity of MDP_1 the critical stress intensity factor K^<MDP>_<IC> is calculated. K^<MDP>_<IC> corresponds well with the decelis and Mullins K_IC. MDP value can be applied to an estimation of the initial stage of macroscopic fracture phenomenon with high reliability.
一般社団法人日本機械学会の論文
1994-10-25