マグネシウム単結晶中での転位ループ生成の解析 ―原子シミュレーションによるアプローチ― [in Japanese] Analysis on Nucleation of a Dislocation Loop in a Magnesium Single Crystal -Approach from Atomistic Simulations- [in Japanese]
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We performed atomistic simulations to demonstrate the nucleation of a dislocation loop for the basal and prismatic slips of a magnesium single crystal. The dislocation loop was successfully simulated by employing the constrained molecular dynamics method, which involves constraining the atomic motion above and below the activation site, keeping the distance between the domain centers constant in the slip direction. Then, the activation free energy for nucleation of a dislocation loop was evaluated using the thermodynamic integration method and the dependence of this nucleation on the ambient temperature and applied shear stress was studied. Moreover, we compared the activation free energy of nucleation from a free surface to that of homogeneous nucleation in order to investigate the effect of inhomogeneity on the activation free energy.
- Journal of the Society of Materials Science, Japan
Journal of the Society of Materials Science, Japan 63(2), 194-199, 2014
The Society of Materials Science, Japan