Temperature Dependence of Screw Dislocation Mobility on Shuffle-Set of Silicon

다국어 초록 (Multilingual Abstract)

Large-scale atomistic simulations are performed in order to observe local behaviors of screw dislocationslocated on the shuffle set of (111) in single crystal silicon, focusing on the propagation process of the screwdislocations. A quadrupolar arrangement of screw dislocations is utilized to impose the periodic boundaryconditions along each of the three spatial directions. With the aid of molecular dynamics simulations, thedislocation mobility is investigated in terms of the critical resolved shear stress. Based on the results fromthe simulations, we discuss effects of the model size and temperature on the critical resolved shear stress. After choosing the proper model size to reduce undesirable interference between the dislocations, we furtherestimate the Peierls stress by fitting from a set of the critical resolved shear stresses at various temperatures. Meanwhile, we observe a double kink mechanism in the dislocation propagation which is the most energeticallyfavorable dislocation movement in silicon. We investigate the formation and migration of kinkpairs on an undissociated screw dislocation in silicon.

참고문헌 (Reference)

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