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

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Large-scale atomistic simulations are performed in order to observe local behaviors of screw dislocations located on the shuffle set of (111) in single crystal silicon, focusing on the propagation process of the screw dislocations. A quadrupolar arrangement of screw dislocations is utilized to impose the periodic boundary conditions along each of the three spatial directions. With the aid of molecular dynamics simulations, the dislocation mobility is investigated in terms of the critical resolved shear stress. Based on the results from the 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 further estimate 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 energetically favorable dislocation movement in silicon. We investigate the formation and migration of kink pairs on an undissociated screw dislocation in silicon.
Publisher
KOREAN INST METALS MATERIALS
Issue Date
2014-09
Language
English
Article Type
Article
Keywords

MECHANICAL-PROPERTIES; PLASTIC-DEFORMATION; CORE STRUCTURE; OPTIMIZATION; MOTION; ALLOY; SI

Citation

METALS AND MATERIALS INTERNATIONAL, v.20, no.5, pp.899 - 907

ISSN
1598-9623
DOI
10.1007/s12540-014-5015-9
URI
http://hdl.handle.net/10203/193831
Appears in Collection
ME-Journal Papers(저널논문)
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