Problems of the isometric mode limit attainment during MD-modelling of crystallization using Nose-Hoover thermostat

The authors analyze the crystallization of Lennard-Jones particle system using Nose-Hoover thermostat. They found that the rate of crystallization decreases when the relaxation parameter point increases. When size of modelling simulation box increases, the crystallization rate decreases. The temperature profile is formed under the influence of the thermostat. The profile can never be smoothed out to a fixed value which is equal to the thermostat temperature.