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cond-mat.mtrl-sci2025
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…
cond-mat.mtrl-sci2025
Exploring the mechanism of phase transitions between the hexagonal close-packed and the cuboidal structures
Andres Robles-Navarro, Shaun Cooper, Odile R. Smits +1
By introducing appropriate lattice parameters for a bi-lattice smoothly connecting the hexagonal close-packed (hcp) with the cuboidal structures, namely the body-centered (bcc) and…