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cond-mat.mtrl-sci2023
Parameterization protocol and refinement strategies for accurate and transferable analytic bond-order potentials: Application to Re
Aparna P. A. Subramanyam, Jan Jenke, Alvin Noe Ladines +2
Interatomic potentials provide a means to simulate extended length and time scales that are outside the reach of ab initio calculations. The development of an interatomic potential…
cond-mat.mtrl-sci2023★ 1 cited
Off-stoichiometric softening and polytypic transformations in the plastic deformation of the C14 FeNb Laves phase
Alvin Noe Ladines, Ralf Drautz, Thomas Hammerschmidt
Plastic deformation of the brittle C14-FeNb Laves phase occurs mostly by basal slip due to the complex crystal structure. Here, we compare the barriers for basal slip for the k…