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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

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

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Waseda, Osamu ; Veiga, Roberto G. A. ; Morthomas, Julien ; Chantrenne, Patrice ; Becquart, Charlotte S. ; Ribeiro, Fabienne ; Jelea, Andrei ; Goldenstein, Helio ; Perez, Michel
Total Authors: 9
Document type: Journal article
Source: SCRIPTA MATERIALIA; v. 129, p. 16-19, MAR 1 2017.
Web of Science Citations: 14

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 type: Research Grants - Young Investigators Grants