Finnis-Sinclair potential (LAMMPS cubic hermite tabulation) for Ti for the hcp-fcc transition developed by Ackland (1992) v005

Graeme J. Ackland
It is shown that any force model using short-range pair-functional interactions can only have three independent h.c.p. elastic constants. Empirical data show that these elastic properties are nearly realized in a number of materials. A new parametrization of a Finnis-Sinclair-type many-body potential for titanium is presented using these relations. Particular care is taken to describe the anisotropy of the shear constants and the deviation of the c/a lattice parameter ratio from ideal, while maintaining smooth...
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