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

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 th...

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Bibliographic Details
Published inScripta materialia Vol. 129; pp. 16 - 19
Main Authors Waseda, Osamu, Veiga, Roberto GA, Morthomas, Julien, Chantrenne, Patrice, Becquart, Charlotte S., Ribeiro, Fabienne, Jelea, Andrei, Goldenstein, Helio, Perez, Michel
Format Journal Article
LanguageEnglish
Published Elsevier Ltd 01.03.2017
Elsevier
Subjects
Cottrell atmospheres
Dislocation
Engineering Sciences
Materials
Metropolis Monte-Carlo
Static ageing
Static ageing
Cottrell atmospheres
Metropolis Monte-Carlo
Dislocation
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Summary: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. [Display omitted]
ISSN:1359-6462
1872-8456
DOI:10.1016/j.scriptamat.2016.09.032