%0 Journal Article %1 Clouet20083450 %A Clouet, Emmanuel %A Garruchet, Sébastien %A Nguyen, Hoang %A Perez, Michel %A Becquart, Charlotte S. %D 2008 %J Acta Materialia %K eam_elasticity %N 14 %P 3450 - 3460 %R 10.1016/j.actamat.2008.03.024 %T Dislocation interaction with C in alpha-Fe: A comparison between atomic simulations and elasticity theory %U http://www.sciencedirect.com/science/article/B6TW8-4SBFNGR-5/2/56926e6ff27ac36ae9f2b09d2fd835e6 %V 56 %X 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.

@article{Clouet20083450, abstract = {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.}, added-at = {2011-03-15T11:22:19.000+0100}, author = {Clouet, Emmanuel and Garruchet, Sébastien and Nguyen, Hoang and Perez, Michel and Becquart, Charlotte S.}, biburl = {https://www.bibsonomy.org/bibtex/2625f1341d535624cb93abf5ce927334d/riche.ma}, description = {ScienceDirect - Acta Materialia : Dislocation interaction with C in α-Fe: A comparison between atomic simulations and elasticity theory}, doi = {10.1016/j.actamat.2008.03.024}, interhash = {8a9ac5ecb182014f47c23b47303c171b}, intrahash = {625f1341d535624cb93abf5ce927334d}, issn = {1359-6454}, journal = {Acta Materialia}, keywords = {eam_elasticity}, number = 14, pages = {3450 - 3460}, timestamp = {2011-03-15T11:22:19.000+0100}, title = {Dislocation interaction with C in [alpha]-Fe: A comparison between atomic simulations and elasticity theory}, url = {http://www.sciencedirect.com/science/article/B6TW8-4SBFNGR-5/2/56926e6ff27ac36ae9f2b09d2fd835e6}, volume = 56, year = 2008 }