Ames Laboratory; Physics and Astronomy
Ames Laboratory, Physics and Astronomy
We study the crystal nucleation of the Weeks–Chandler–Andersen (WCA) model, using the recently introduced persistent embryo method (PEM). The method provides detailed characterization of pre-critical, critical and post-critical nuclei, as well as nucleation rates that compare favorably with those obtained using other methods (umbrella sampling, forward flux sampling or seeding). We further map our results to a hard sphere model allowing comparison with other existing predictions. Implications for experiments are also discussed.
DOE Contract Number(s)
Department of Energy Subject Categories
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
Iowa State University Digital Repository, Ames IA (United States)