Density of states of a binary Lennard-Jones Glass

Details Density of states of a binary Lennard-Jones Glass Density of states of a binary Lennard-Jones Glass

2003-05-28

arxiv.org/abs/cond-mat/0305666v1

J Chem Phys 119(13), 6883-6894 (2003)

Physics

Condensed Matter

Soft Condensed Matter

6 pages, 3 figures, accepted by J Chem Phys

Scientific paper

10.1063/1.1594180

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.

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