Finnis-Sinclair potential (LAMMPS cubic hermite tabulation) for the Ni-Zr system developed by Wilson and Mendelev (2015) v000

A Finnis-Sinclair potential by Wilson and Mendelev (2015) for the Ni–Zr alloy was developed that well reproduces the material properties required to model solid-liquid interfaces (SLIs) in the Ni50.0Zr50.0 alloy. In particular, the developed potential is shown to provide that the solid phase emerging from the liquid Ni50.0Zr50.0 alloy is B33 (apart from a small fraction of point defects), in agreement with the experimental phase diagram. The SLI properties obtained using the developed potential exhibit...
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