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Article

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

Journal of Molecular Liquids. 2021. Vol. 322. No. 1-3.
Negodin V., Polyachenko Y., Fleita D., Pisarev V., Norman G.

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.