Nucleation and droplet growth from supersaturated vapor at temperatures below the triple point temperature

摘要: In 1897 Ostwald formulated his step rule for formation of the most stable crystal state a system with polymorphism. The describes irreversible way converts to lowest free energy. But in fact supercooled gas below triple point temperature Ttr.p. crystallizes via liquiddroplet is an example Ostwald’s rule. homogeneous nucleation supersaturated not crystal, but liquid-like critical nucleus. We have first time performed constant energy (NVE) Molecular Dynamics (MD) without use thermostat. simulations Lennard-Jones from vapor at temperatures reveal that nucleus initiated by small cold cluster [S. Toxvaerd, J. Chem. Phys. 143, 154705 (2015)]. release latent heat subsequent dropletgrowth increases liquid-likedroplet, which deep supercooling and/or low supersaturation, can exceed Ttr.p.. liquid-likedroplet less supersaturation and remains Ttr.p., crystallization droplet long times. dissipation into surrounding affected traditional MD thermostat, consequence different (NVT) MD.