Kinetic singularities at transition points from equilibrium to metastable states of the Lennard-Jones particle system

V Negodin and Y Polyachenko and D Fleita and V Pisarev and G Norman, JOURNAL OF MOLECULAR LIQUIDS, 322, 114954 (2021).

DOI: 10.1016/j.molliq.2020.114954

The equilibrium and metastable states of the Lennard-Jones vapor, liquid, and crystal, are studied in the vicinity of the phase transition points. Vapor-liquid, liquid-vapor, liquid-crystal, and crystal-liquid transitions are modeled within the molecular dynamics method. As a research tool, a four-point correlation function is used for the qualitative detection of collective motions of atoms in the equilibrium and metastable states. We use its modification, a correlation coefficient, and find singularities at the transition from equilibrium to metastable states. The nature of these changes, as precursors of nucleation, is discussed. (C) 2020 Elsevier B.V. All rights reserved.

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