Density of states of a binary Lennard-Jones glass
Abstract
We calculate the density of states of a binary Lennard-Jones glass using a recently proposed Monte Carlo algorithm. Unlike traditional molecular simulation approaches, the algorithm samples distinct configurations according to self-consistent estimates of the density of states, thereby giving rise to uniform internal-energy histograms. The method is applied to simulate the equilibrium, low-temperature thermodynamic properties of a widely studied glass former consisting of a binary mixture of Lennard-Jones particles. We show how a density-of-states algorithm can be combined with particle identity swaps and configurational bias techniques to study that system. Results are presented for the energy and entropy below the mode coupling temperature.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- August 2003
- DOI:
- 10.1063/1.1594180
- arXiv:
- arXiv:cond-mat/0305666
- Bibcode:
- 2003JChPh.119.4405F
- Keywords:
-
- 71.23.An;
- 71.15.Pd;
- 61.20.Ja;
- Theories and models;
- localized states;
- Molecular dynamics calculations and other numerical simulations;
- Computer simulation of liquid structure;
- Condensed Matter - Soft Condensed Matter;
- Condensed Matter - Statistical Mechanics
- E-Print:
- 6 pages, 3 figures, accepted by J Chem Phys