Exact lattice summations for Lennard-Jones potentials coupled to a three-body Axilrod-Teller-Muto term applied to cuboidal phase transitions

Andres Robles-Navarro, Shaun Cooper, Andreas A. Buchheit +4

This work provides a rigorous analysis of Bain-type cuboidal lattice transformations, which connect the face-centered cubic (fcc), mean-centered cubic (mcc), body-centered cubic (b…