Abstract
The crystallization of Lennard-Jones fluid under weak supercooling was studied in molecular dynamics simulation with the metadynamics method. The Steinhardt parameter Q6 for a group of particles around a random atom and the system's potential energy were chosen to describe phase transition. The change in collective variables was observed in the process of overcoming the activation barrier of crystallization. The critical nucleus formation data were obtained. Keywords: metadynamics, Lennard-Jones fluid, metastability, activation barrier.
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