Quick Search:    advanced search

GSW Home   GeoRef Home   My GSW Alerts   Contact GSW   About GSW   Journals List   Help

This Article Figures Only Full Text Full Text (PDF) Alert me when this article is cited Alert me if a correction is posted Citation Map Services Email this article to a friend Similar articles in this journal Alert me to new issues of the journal Download to citation manager Citing Articles Citing Articles via Web of Science (1) Citing Articles via Google Scholar Google Scholar Articles by Ferré, D. Articles by Carrez, P. Search for Related Content GeoRef GeoRef Citation

Dislocation modeling in calcium silicate perovskite based on the Peierls-Nabarro model

Laboratoire de Structure et Propriétés de l’Etat Solide, UMR CNRS 8008, Université des Sciences et Technologies de Lille, 59655 Villeneuve d’Ascq Cedex, France

Correspondence: ^* E-mail: patrick.cordier{at}univ-lille1.fr

In this study, we propose a study of dislocations and plasticity in CaSiO₃ perovskite based on the Peierls-Nabarro modeling using the generalized stacking fault (GSF) results as a starting model. The GSF are determined from first-principle calculations using the VASP code. The dislocation properties such as planar core spreading and Peierls stresses are determined for the four possible slip systems: 110{10}, 100{011}, 110{001}, and 100{001} and at 0, 30, and 100 GPa. We find that 110 {10} is the easiest slip system, but more surprisingly, we show that it bears no Peierls friction, even at the higher pressure. The reasons lie in the ability of these dislocations to split into partial dislocations and in the nature of the stacking fault associated with it.

Key Words: CaSiO₃ perovskite • deformation mechanisms • dislocations • slip systems • first-principle calculations • DFT • Peierls-Nabarro model