2002/09/11 by Javier Hernandez-Rojas, J. Hernández‐Rojas, David J. Wales · 1 citation
Chemical Engineering · Engineering · Materials Science · Physics and Astronomy · #Material Dynamics and Properties #Phase Equilibria and Thermodynamics #Thermodynamic properties of mixtures #cond-mat.dis-nn #cond-mat.soft
paper · pdf · doi:10.1103/physrevb.68.144202
published as Phys. Rev. B 68, 144202 (2003) · 10 pages, 7 figures
arxiv created 2002/09/11 · openalex publication_date 2003/10/15 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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 \ensuremathρl=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.