Evaluation of MD-Aided Parameter in Fracture Mechanics.

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  • 分子動力学法援用による破壊記述パラメータ
  • ブンシ ドウリキガクホウ エンヨウ ニ ヨル ハカイ キジュツ パラメータ

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Abstract

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. MDP1 is calculated on several paths similarly to J-integral. MDP1 increases slowly before fracture and decreases steeply after that in any path. In order to investigate the validity of MDP1 the critical stress intensity factor KMDPIC is calculated. KMDPIC corresponds well with the decelis and Mullins KIC. MDP value can be applied to an estimation of the initial stage of macroscopic fracture phenomenon with high reliability.

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