J. Phys. France 51, 1791-1796 (1990)
DOI: 10.1051/jphys:0199000510170179100
On the molecular-dynamics study of a phase transition in a quasicrystal model
K. Parlinski1, E. Dénoyer1 et M. Lambert21 Laboratoire de Physique des Solides, Université Paris-Sud, 91405 Orsay, France
2 Laboratoire Léon Brillouin, CEA-CNRS, CEN, Saclay, 91191 Gif sur Yvette, France
Abstract
A two-dimensional model of large (L) and small (S) atoms interacting via the Lennard-Jones potential has been studied by the molecular-dynamics technique. Slow cooling of the system L0.435S0.565 from a disordered configuration leads to a defected quasicrystalline phase. Another run in which the L atoms were additionally interacting by the orientational three body potential, produced a phase with microcrystalline precipitates. This phase still preserves the pentagonal symmetry of the diffraction pattern. The crystalline precipitates have a unit cell of thin Penrose rhombuses.
6150A - Theory of crystal structure, crystal symmetry; calculations and modeling.
6470K - Solid-solid transitions.
Key words
crystal atomic structure -- Lennard Jones potential -- molecular dynamics method -- quasicrystals -- solid state phase transformations