Density effects in a bulk binary Lennard-Jones system

Abstract

Properties of local minima as a function of density are studied in a binary Lennard-Jones system for kinetic equipartition temperatures $T=1.0$ (normal liquid), 0.5 (supercooled liquid), and 0.4 (glass), in reduced units. The number of different local minima sampled, energy, pressure, normal mode angular frequencies, mean distance between all pairs of local minima and partial radial distribution functions are presented. In agreement with previous studies by Sastry [Phys. Rev. Lett. {\bf 85}, 590 (2000)] a limiting density is found at ${\rho }_l=1.06$ with negative pressure, below which the local structure of the glass and the supercooled phases are essentially the same, as evidenced by the partial radial distribution functions. The mean energy, pressure, and normal mode frequencies have values that are practically independent of the temperature below ${\rho }_l$.

10 pages, 7 figures

References in corpus (4)

• Energy Barriers and Activated Dynamics in a Supercooled Lennard-Jones Liquid
• Saddle Points and Dynamics of Lennard-Jones Clusters, Solids and Supercooled Liquids
• Hopping in a Supercooled Lennard-Jones Liquid: Metabasins, Waiting Time Distribution, and Diffusion
• The distance between Inherent Structures and the influence of saddles on approaching the mode coupling transition in a simple glass former

Cited by in corpus (1)

• Understanding fragility in supercooled Lennard-Jones mixtures. I. Locally preferred structures