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)

Included in

Physics Commons

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