Influence of nanochannels on Poisson's ratio of degenerate crystal of hard dimers

Abstract

AbstractAbstractauthoren Hard‐body models reproduce many fundamental features of real physical systems and are convenient tools to study the role of molecular shape and its influence on macroscopic, for example, elastic, properties of condensed matter. In this article, a degenerate (aperiodic) crystal of hard dimers with arrays of nanochannels introduced in the direction is studied by Monte Carlo simulations. The nanochannels are filled by hard spheres of diameter which can be different from the diameter of spheres forming dimers. It is shown that, by modifying the ratio , one can qualitatively modify the Poisson's ratio of the system. In particular, one can obtain partial auxetics (i.e., systems with negative Poisson's ratio in some directions) with auxetic directions or . The applied method is convenient to determine Poisson's ratio in all directions for crystals of arbitrary symmetry. Explicit formulae for Poisson's ratio in main directions of the studied structures are given.Structure of hard dimers (green atoms) with an array of nanochannels (red atoms). Diameters of dimer atoms have been intentionally decreased to reveal underlying molecular structure (black segments) and channel orientation.