Journal
ACTA MATERIALIA
Volume 56, Issue 14, Pages 3450-3460Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.actamat.2008.03.024
Keywords
Fe-C alloys; screw dislocation; edge dislocation; anisotropic elasticity; Cottrell atmospheres
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The interaction of C atoms with a screw and an edge dislocation is modelled at an atomic scale using an empirical Fe-C interatomic potential based on the embedded atom method and molecular statics simulations. Results of atomic simulations are compared with predictions of elasticity theory. It is shown that a quantitative agreement can be obtained between both modelling techniques as long as anisotropic elastic calculations are performed and both the dilatation and the tetragonal distortion induced by the C interstitial are considered. Using isotropic elasticity allows the prediction of the main trends of the interaction, whereas considering only the interstitial dilatation will lead to a wrong interaction. (c) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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