Formation of carbon Cottrell atmospheres and their effect on the stress field around an edge dislocation

Author(s)

Waseda, Osamu ; Veiga, Roberto G. A. ; Morthomas, Julien ; Chantrenne, Patrice ; Becquart, Charlotte S. ; Ribeiro, Fabienne ; Jelea, Andrei ; Goldenstein, Helio ; Perez, Michel

• Document type: Journal article
• Source: SCRIPTA MATERIALIA; v. 129, p. 16-19, MAR 1 2017.
• Web of Science Citations: 14

Abstract

Biased Metropolis Monte-Carlo is employed to build a carbon Cottrell atmosphere around an edge dislocation. A novel method involving only local minimisation during the Metropolis scheme allows to deal with a million-atom system within a reasonable computation time. In this study, it is discovered that (i) the carbon atoms occupy interstitial sites not only in the traction zone, but also in the compression zone; (ii) local carbon concentrations of approximately 10at% are in good agreement with experimental values; (iii) the saturation of the Cottrell atmosphere does not originate from the stress-field around the atmosphere but from repulsive carbon-carbon interactions only. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. (AU)

• FAPESP's process: 14/10294-4 - Multiscale computational modeling of the microstructural evolution and plasticity in metallic alloys
• Grantee: Roberto Gomes de Aguiar Veiga
• Support Opportunities: Research Grants - Young Investigators Grants