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arxiv: 1810.10709 · v1 · pith:GSKQKDTUnew · submitted 2018-10-25 · ❄️ cond-mat.soft

Calculation of Critical Nucleation Rates by the Persistent Embryo Method: Application to Quasi Hard Sphere Models

classification ❄️ cond-mat.soft
keywords methodnucleationcomparecriticalembryohardmodelother
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We study 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 to compare with other existing predictions. Implications for experiments are also discussed.

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