Local structures in a computer-generated liquid. Two-dimensional Lennard-Jones liquid

Antoni C. Mitus, Alexander Z. Patashinskii and Stefan Sokolowski

Physica A: Statistical Mechanics and its Applications, 1991, vol. 174, issue 2, 244-271

Abstract: We study the local structures in a 2D Lennard-Jones liquid of 2500 atoms near the melting line (ϱ∗ = 0.76, T∗ = 0.47) with the help of methods of mathematical statistics based on an earlier proposed probabilistic approach. We analyze the local structures in individual configurations and study the time evolution of patterns of matter which is close to the solid hexagonal structure. We conclude that the model liquid displays two types of local structure: hexagonal and “chaotic”. The first one corresponds to the fluctuations of the hexagon with root-mean-square fluctuations ξ of atoms equal to ξ = 0.14-0.16 while the second one can be represented by a strongly fluctuating (ξ = 0.25-0.30) “defect” pattern. We discuss the consequences of the physical picture of the liquid as a locally ordered two-structure system for the methodology of computer simulations and for theories of the 2D liquid phase.

Date: 1991
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:174:y:1991:i:2:p:244-271

DOI: 10.1016/0378-4371(91)90333-8

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