Vapor bubble nucleation by rubbing surfaces: Molecular dynamics simulations

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 Simulations of Homogeneous Nucleation

Molecular dynamics simulations of nucleation from vapor to solid composed of Lennard-Jones molecules.

We performed molecular dynamics (MD) simulations of nucleation from vapor at temperatures below the triple point for systems consisting of 10(4)-10(5) Lennard-Jones (L-J) type molecules in order to test nucleation theories at relatively low temperatures. Simulations are performed for a wide range of initial supersaturation ratio (S(0) ≃ 10-10(8)) and temperature (kT = 0.2-0.6ε), where ε and k a...

Molecular dynamics simulation of supersaturated vapor nucleation in slit pore

Molecular-dynamics simulations of urea nucleation from aqueous solution.

Despite its ubiquitous character and relevance in many branches of science and engineering, nucleation from solution remains elusive. In this framework, molecular simulations represent a powerful tool to provide insight into nucleation at the molecular scale. In this work, we combine theory and molecular simulations to describe urea nucleation from aqueous solution. Taking advantage of well-tem...