ゆらぎを無視した近似解析および分子動力学による鉄単結晶引張破壊の解析

概要

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This paper describes the investigation of brittle to ductile transition in alpha-iron using an approximation in which fluctuations are neglected and a molecular dynamics simulation. By introducing two kinds of forces, the tendency for slip or cleavage is evaluated, using an approximation in which the atom position fluctuations are neglected. For ideal crystals, expanded alpha-iron single crystals are apt to be more ductile than compressed ones in the case of uniform tensile deformation. Crack propagation and blunting processes are simulated in alpha-iron using a molecular dynamics approach, utilizing the Johnson potential. The simulations show that expanded crystals are likely to undergo shear breakdown and that compressed ones are likely to fail due to cleavage. The results obtained with molecular dynamics simulations are found to be consistent with those obtained with analysis that neglects fluctuations.
社団法人日本機械学会の論文
1992-10-25