Dislocation interaction with C in alpha-Fe: a comparison between atomic simulations and elasticity theory

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dc.creatorClouet, Emmanuel
dc.creatorGarruchet, Sébastien
dc.creatorNguyen, Hoang
dc.creatorPerez, Michel
dc.creatorBecquart, Charlotte
dc.date2008-09-09
dc.date.accessioned2026-07-07T10:01:43Z
dc.date.available2026-07-07T10:01:43Z
dc.descriptionThe 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 (EAM) 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 to predict the main trends of the interaction and considering only the interstitial dilatation will lead to a wrong interaction.
dc.identifierhttps://arxiv.org/abs/0809.1520
dc.identifierhttp://arxiv.org/abs/0809.1520
dc.identifierActa Materialia 56 (2008) 3450-3460
dc.identifierdoi:10.1016/j.actamat.2008.03.024
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/168721
dc.subjectMaterials Science
dc.titleDislocation interaction with C in alpha-Fe: a comparison between atomic simulations and elasticity theory
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