Publication Date
10-15-2018
Department
Ames Laboratory; Physics and Astronomy
Campus Units
Ames Laboratory, Physics and Astronomy
OSTI ID+
1481872
Report Number
IS-J 9782
DOI
10.1039/C8SM01415A
Journal Title
Soft Matter
Volume Number
14
Issue Number
45
First Page
9185
Last Page
9193
Abstract
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)
AC02-07CH11358
Language
en
Department of Energy Subject Categories
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
Publisher
Iowa State University Digital Repository, Ames IA (United States)
