Calculation of critical nucleation rates by the persistent embryo method: application to quasi hard sphere models. Issue 45 (6th November 2018)

• Record Type: Journal Article
• Authors: Ren, Shang; Sun, Yang; Zhang, Feng; Travesset, Alex; Wang, Cai-Zhuang; Ho, Kai-Ming
• Is Part Of: Soft matter. Volume 14:Issue 45(2018)
• Page Start: 9185
• Page End: 9193
• Publication Date: 2018-11-06
• Subjects: Soft condensed matter -- Periodicals; 530.413
• DOI: 10.1039/c8sm01415a
• Languages: English
• ISSNs: 1744-683X

Abstract

Abstract : Using the persistent embryo method (PEM), we investigate the nucleation of quasi hard-sphere liquids and the shape of the critical nucleus. 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.