%0 Journal Article %1 Hanlumyuang20105481 %A Hanlumyuang, Y. %A Gordon, P.A. %A Neeraj, T. %A Chrzan, D.C. %D 2010 %J Acta Materialia %K dislocation_elasticity %N 16 %P 5481 - 5490 %R 10.1016/j.actamat.2010.06.024 %T Interactions between carbon solutes and dislocations in bcc iron %U http://www.sciencedirect.com/science/article/B6TW8-50GSW68-3/2/88a4842a7d9fd800f67ecacb2ddcad7f %V 58 %X Carbon solute-dislocation interactions and solute atmospheres for both edge and screw dislocations in body-centered cubic (bcc) iron are computed from first principles using two approaches. First, the distortion tensor and elastic constants entering Eshelby's model for the segregation of C atoms to a dislocation core in Fe are computed directly using an electronic-structure-based the total energy method. Second, the segregation energy is computed directly via first-principles methods. Comparison of the two methods suggests that the effects of chemistry and magnetism beyond those already reflected in the elastic constants do not make a major contribution to the segregation energy. The resulting predicted solute atmospheres are in good agreement with atom probe measurements.

@article{Hanlumyuang20105481, abstract = {Carbon solute-dislocation interactions and solute atmospheres for both edge and screw dislocations in body-centered cubic (bcc) iron are computed from first principles using two approaches. First, the distortion tensor and elastic constants entering Eshelby's model for the segregation of C atoms to a dislocation core in Fe are computed directly using an electronic-structure-based the total energy method. Second, the segregation energy is computed directly via first-principles methods. Comparison of the two methods suggests that the effects of chemistry and magnetism beyond those already reflected in the elastic constants do not make a major contribution to the segregation energy. The resulting predicted solute atmospheres are in good agreement with atom probe measurements.}, added-at = {2011-03-22T14:57:58.000+0100}, author = {Hanlumyuang, Y. and Gordon, P.A. and Neeraj, T. and Chrzan, D.C.}, biburl = {https://www.bibsonomy.org/bibtex/26e5e0802f4997f811ec9efdcf69b9d36/riche.ma}, description = {ScienceDirect - Acta Materialia : Interactions between carbon solutes and dislocations in bcc iron}, doi = {10.1016/j.actamat.2010.06.024}, interhash = {f4c24bc3fa072b6b9a1c4e9602e4498b}, intrahash = {6e5e0802f4997f811ec9efdcf69b9d36}, issn = {1359-6454}, journal = {Acta Materialia}, keywords = {dislocation_elasticity}, number = 16, pages = {5481 - 5490}, timestamp = {2011-03-22T14:57:58.000+0100}, title = {Interactions between carbon solutes and dislocations in bcc iron}, url = {http://www.sciencedirect.com/science/article/B6TW8-50GSW68-3/2/88a4842a7d9fd800f67ecacb2ddcad7f}, volume = 58, year = 2010 }