LAMMPS Tersoff-ZBL potential for Fe-C developed by Henriksson, Björkas and Nordlund (2013) v000

Daniel S. Karls
Stainless steels found in real-world applications usually have some C content in the base Fe-Cr alloy, resulting in hard and dislocation-pinning carbides - Fe3C (cementite) and Cr23C6 - being present in the finished steel product. The higher complexity of the steel microstructure has implications, for example, for the elastic properties and the evolution of defects such as Frenkel pairs and dislocations. This makes it necessary to re-evaluate the effects of basic radiation phenomena and not...
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