A new binary decagonal Frank-Kasper quasicrystal phase

Abstract

A structure model of atoms of two sizes, interacting with Lennard-Jones potentials and simulated by molecular dynamics, was observed to freeze into a decagonal quasicrystal dominated by Frank-Kasper coordination shells and closely related to the Henley-Elser model for icosahedral quasicrystals. Idealized structure models can be described as decorations of triangle-rectangle and rhombus tilings. Equilibrium properties of the idealized model have been determined by molecular dynamics simulations and a high stability of the model and a low jump rate of the atoms have also been observed.