On the molecular-dynamics study of a phase transition in a quasicrystal model

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 L 0.435 S 0.565 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 Etude par la technique de dynamique moleculaire d'un modele bidimensionnel de gros atomes (L) et de petits atomes (S) en interaction via le potentiel de Lennard-Jones. Un refroidissement lent du systeme L 0,435 S 0,565 conduit a une phase quasicristalline