分子動力学法によるき裂先端の変形素過程の解析
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概要
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Primitive deformation at the crack tip is an example of activation process. Performing a series of Monte Carlo and molecular dynamics hybrid simulations for the {110} <110>-crack in bcc crystal, it is observed that two primitive deformations, dislocation nucleation and expansion of hcp transition region, take place stochastically. Controlling the temperature and the strain of the system, the activation energy and the rate constant prefactor are determined. It is predicted that the effective brittle-ductile transition temperature becomes much lower than the activation energy (divided by Boltzmann constant) of dislocation nucleation when the observation time becomes of the order of millisecond.
- 一般社団法人日本機械学会の論文
- 2003-02-25