Monte Carlo simulations of surface induced nucleation
Document Type
Conference Proceeding
Publication Date
5-14-2013
Abstract
Gas-Liquid nucleation for Lennard-Jonesium (LJ) on an implicit surface was simulated using the Aggregation-Volume-Bias Monte Carlo technique to obtain the nucleation free energy and other important properties. The simulation was carried out at a reduced temperature of 0.5 for clusters containing up to 1000 LJ particles. It was found that the deviation from the theoretical prediction indicates a transitional trend from 3D geometry to 2D planar geometry as the surface-particle interaction parameter, ε*, was increased. It was also found that at intermediate ε* values the surface-particle interaction can promote crystallization; however, at higher ε* values, crystallization is hindered presumably due to the formation of a 2D-like cluster. © 2013 AIP Publishing LLC.
Publication Source (Journal or Book title)
Aip Conference Proceedings
First Page
93
Last Page
96
Recommended Citation
Loeffler, T., & Chen, B. (2013). Monte Carlo simulations of surface induced nucleation. Aip Conference Proceedings, 1527, 93-96. https://doi.org/10.1063/1.4803211