Distributions of pore sizes and atomic densities in binary LJ glasses revealed by molecular dynamics simulations

POSTER

Abstract

We report on the results of a molecular dynamics simulation study of binodal glassy systems, formed in the process of isochoric rapid quenching from a high-temperature fluid phase. The transition to vitreous state occurs due to concurrent spinodal decomposition and solidification of the matter. The study is focused on topographies of the porous solid structures and their dependence on temperature and average density. To quantify the pore-size distributions, we put forth a scaling relation that provides a robust data collapse in systems with high porosity. We also find that the local density of glassy phases is broadly distributed, and, with increasing average glass density, a distinct peak in the local density distribution is displaced toward higher values.

Presenters

  • Nikolai Priezjev

    Wright State Univ, Wright State University

Authors

  • Nikolai Priezjev

    Wright State Univ, Wright State University

  • Maxim Makeev

    Department of Chemistry, University of Missouri, University of Missouri-Columbia, Department of Chemistry, Uviversity of Missouri