Molecular-dynamics simulation of argon nucleation from supersaturated vapor in the NVE ensemble.

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

In 1897 Ostwald formulated his step rule for formation of the most stable crystal state for a system with crystal polymorphism. The rule describes the irreversible way a system converts to the crystal with lowest free energy. But in fact the irreversible way a supercooled gas below the triple point temperature Ttr.p. crystallizes via a liquid droplet is an example of Ostwald's step rule. The ho...

Molecular Dynamics Simulation of Vapor Bubble Nucleation on a Solid Surface

Heterogeneous nucleation of vapor bubbles on a solid surface was simulated by the molecular dynamics method. Liquid argon between parallel solid surfaces was gradually expanded, until a stable vapor bubble was nucleated. Argon liquid was represented by Lennard-Jones molecules and each surface was represented by three layers of harmonic molecules with the constant temperature heat bath model usi...

Molecular dynamics simulation of supersaturated vapor nucleation in slit pore

A Molecular Dynamics Simulation of a Bubble Nucleation on Solid Surface

A heterogeneous nucleation of a vapor bubble on a solid surface was simulated by the molecular dynamics method. Liquid argon between parallel solid surfaces was gradually expanded, until a vapor bubble was nucleated. Argon liquid was represented by 5488 Lennard-Jones molecules and each surface was represented by three layers of harmonic molecules with the constant temperature heat bath model. W...

Molecular dynamics simulation of supersaturated vapor nucleation in slit pore. II. Thermostatted atomic-wall model