分子動力学法を用いたアルミニウム双結晶のせん断変形シミュレーション

概要

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We investigate the shear deformation of bicrystalline aluminum using a molecular dynamics simulation. The computational cell contains a [001](310)Σ=5 tilt grain boundary. In simulations, we use a Morse potential. The simulations show that when the strain rate is small, and when the temperature is high, the strain rate is proportional to the shear force and the Boltzmann factor. The activation energy for the deformation agrees well with the activation energy for grain-boundary sliding and migration induced by thermal activation. This means that diffusions of the same type occur in both cases. However, this type of diffusion does not seem to occur when the temperature is low. When the strain rate is sufficiently large, yielding is observed in the grain. The critical shear force becomes smaller as the temperature is raised.
社団法人日本機械学会の論文
1994-03-25