Atomistic and mesoscale simulations of free solidification in comparison

摘要

Solidification of an undercooled Lennard-Jones system is considered by atomistic and mesoscale simulations. The influence of the parameters of a Nose-Hoover thermostat on the temperature profile in the molecular dynamics box during the free solidification of the sample is analyzed. Direct comparison of the temperature profiles and of the interface dynamics in molecular dynamics with phase-field simulations is given.