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 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, and partial radial distribution functions are presented for simulation times of constant length. In agreement with previous studies by Sastry [Phys. Rev. Lett. 85, 590 (2000)] a limiting density is found at ${\ensuremath{\rho}}_{l}=1.08$ 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.