Auxeticity enhancement due to size polydispersity in fcc crystals of hard-core repulsive Yukawa particles

Abstract

The Poisson's ratio of the fcc hard-core repulsive Yukawa crystals with size polydispersity was determined by Monte Carlo simulations in the isothermal–isobaric ensemble. The effect of size polydispersity on the auxetic properties of Yukawa crystals has been studied. It has been found that an increase of particle size polydispersity causes a decrease of the Poisson's ratio in auxetic directions as well as appearance of a negative Poisson's ratio in formerly non-auxetic directions. A measure of auxeticity was introduced to estimate quantitatively an enhancement of auxetic properties in polydisperse Yukawa crystals. The proposed measure of auxeticity can be applied to appraise the auxeticity of any studied system.