Modeling defects and plasticity in MgSiO3 post-perovskite: Part 2—screw and edge [100] dislocations
作者： Alexandra M. Goryaeva , Philippe Carrez , Patrick Cordier
DOI: 10.1007/S00269-015-0763-8
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摘要: In this study, we propose a full atomistic study of [100] dislocations in MgSiO3 post-perovskite based on the pairwise potential parameterized by Oganov et al. (Phys Earth Planet Inter 122:277–288, 2000) for perovskite. We model screw to identify planes where they glide easier. show that despite small tendency core spreading {011}, very easily (Peierls stress 1 GPa) (010) only Mg–O bonds are be sheared. Crossing Si-layers results higher lattice friction as shown Peierls [100](001): 17.5 GPa. Glide {011} appears also highly unfavorable. Whatever planes, (010), (001) or edge characterized wider (of order 2b). Contrary character, bear negligible (0.1 GPa) each slip system. The layered structure drastic reduction opposed easiest systems compared
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