Lattice Instabilities Along the Transformation from Hexagonal to Cuboidal Structures in Hard- and Soft-Sphere Models

Andres Robles-Navarro, Shaun Cooper, Andreas W. Hauser +3

The diffusionless Burgers-Bain phase transition from a hcp arrangement to a cuboidal lattice (fcc and bcc) is analysed in great detail for Lennard-Jones solids. From the lattice ve…