分子動力学シミュレーションによるα鉄中のき裂進展と粒界の相互作用に関する解析

概要

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In this paper, we examine the interaction between crack propagation and tilt grain boundary under uniaxial tension using molecular dynamics simulations. The Johnson potential for α-iron is used in these simulations. A structural transition from bcc to hcp induced by hydrostatic stress and brittle crack propagation are observed in a system including a crack whose direction is [010] in the (101) plane. In a system including both the crack and a [110] (112) grain boundary which is symmetric and stable, not only the phase transition but also the crack propagation are restrained by the grain boundary. In a system including both the crack and a [110] (111) grain boundary which is asymmetric and unstable, intergranular crack propagation occurs after the crack tip reaches the grain boundary.
一般社団法人日本機械学会の論文
2001-05-25