How Do Droplets Depend on the System Size? Droplet Condensation and Nucleation in Small Simulation Cells

P. Virnau, L. González MacDowell, M. Müller () and K. Binder
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P. Virnau: Johannes Gutenberg Universität, Institut für Physik, WA331
L. González MacDowell: Johannes Gutenberg Universität, Institut für Physik, WA331
M. Müller: Johannes Gutenberg Universität, Institut für Physik, WA331
K. Binder: Johannes Gutenberg Universität, Institut für Physik, WA331

A chapter in High Performance Computing in Science and Engineering ’03, 2003, pp 125-135 from Springer

Abstract: Summary Using large scale grandcanonical Monte Carlo simulations in junction with a multicanonical reweighting scheme we investigate the liquid-vapor transition of a Lennard—Jones fluid. Particular attention is focused on the free energy of droplets and the transition between different system configurations as the system tunnels between the vapor and the liquid state as a function of system size. The results highlight the finite size dependence of droplet properties in the canonical ensemble and free energy barriers along the path from the vapor to the liquid in the grandcanonical ensemble.

Keywords: Free Energy; Canonical Ensemble; Simulation Cell; Free Energy Difference; Excess Free Energy (search for similar items in EconPapers)
Date: 2003
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DOI: 10.1007/978-3-642-55876-4_10

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