28 citations · 28 across the 4 of their papers we have counts for
4 papers
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…
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…
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…
The Lennard Jones Potential Revisited -- Analytical Expressions for Vibrational Effects in Cubic and Hexagonal Close-Packed Lattices
Peter Schwerdtfeger, Antony Burrows, Odile R. Smits
Analytical formulae are derived for the zero-point vibrational energy and anharmonicity corrections of the cohesive energy and the mode Grüneisen parameter within the Einstein mode…