The dislocation core misfit potential
Date
2015Author
Njoroge, KD
Rading, GO
Kihiu, JM
Witcom, MJ
Cornish, LA
Language
enMetadata
Show full item recordAbstract
The development of a model to extend the range of the embedded atom method (EAM) is presented. The model is founded on the premise that the dislocation core generates a distortion field within the lattice that extends well beyond the range of operation of the embedded atom method. The resulting misfit potential is based on a characteristic function that accounts for long range lattice distortion. The characteristic function was established by the fitting the coefficients to the distortion at given distances from the dislocation core. The misfit potential enabled the determination of long range dislocation interactions and was applied in the simulation of dislocation core stress fields in the body centered cubic Fe lattice. These stress profiles are reported.
URI
http://www.sciencedirect.com/science/article/pii/S092702561400874Xhttp://hdl.handle.net/11295/80990
Citation
Njoroge, K. D., Rading, G. O., Kihiu, J. M., Witcomb, M. J., & Cornish, L. A. (2015). The dislocation core misfit potential. Computational Materials Science.Publisher
University of Nairobi