Evaluating nucleation rates in direct simulations.
We compare different methods for obtaining nucleation rates from molecular dynamics simulations of nucleation, using the condensation of Lennard-Jones argon as an example. All methods yield the same nucleation rate at the conditions where they can be applied correctly, with discrepancies smaller than a factor of 2. We critically examine the different approaches and highlight their respective strengths and possible limitations.
Chkonia
Guram
G
Institut für Physikalische Chemie, Universität zu Köln, Luxemburger Strasse 116, 50939 Cologne, Germany.
Wölk
Judith
J
Strey
Reinhard
R
Wedekind
Jan
J
Reguera
David
D