Determinism and Chaos in Decay of Metastable States

摘要

The problem of numerical investigation of metastable states decay is described in this work on example of melting of the superheated solid crystal simulated within the framework of molecular dynamics method. Its application in the case of non-equilibrium processes has certain difficulties, including the averaging procedure. In this work an original technique of averaging over the ensemble of configuration is presented. The question of the instability of the phase space trajectories of many-particle system (i.e. chaotic character of motion) and its consequences for simulation are also discussed.