Peierls-Nabarro model for dislocations in MgSiO3 post-perovskite calculated at 120 GPa from first principles

被引：51

作者：

Carrez, Ph. ^{[1
]}

Ferre, D. ^{[1
]}

Cordier, P. ^{[1
]}

机构：

[1] Univ Sci & Technol Lille, CNRS, UMR 8008, Lab Struct & Proprietes Etat Solide, F-59655 Villeneuve Dascq, France

来源：

PHILOSOPHICAL MAGAZINE | 2007年 / 87卷 / 22期

关键词：

D O I：

10.1080/14786430701268914

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present here the first numerical modelling of dislocations in MgSiO3 post-perovskite at 120 GPa. The dislocation core structures and properties are calculated through the Peierls-Nabarro model using the generalized stacking fault (GSF) results as a starting model. The GSFs are determined from first-principle calculations using the VASP code. Dislocation properties such as planar core spreading and Peierls stresses are determined for the following slip systems: [100](010), [100](001), [100](011), [001](010), [001](110), [001](100), [010](100), [010]( 001), 1/2[110](001) and 1/2[110] (110). Our results confirm that the MgSiO3 post-perovskite is a very anisotropic phase with a plasticity dominated by dislocation glide in the (010) plane.

引用

页码：3229 / 3247

页数：19

共 53 条

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