Calculation of Critical Nucleation Rates by the Persistent Embryo Method: Application to Quasi Hard Sphere Models
ORAL
Abstract
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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Presenters
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Shang Ren
Department of Physics and Astronomy, Iowa State University
Authors
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Shang Ren
Department of Physics and Astronomy, Iowa State University
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Yang Sun
Ames Laboratory
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Feng Zhang
Ames Laboratory
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Alex Travesset
Iowa State University, Department of Physics and Astronomy, Iowa State University
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Cai-Zhuang Wang
Ames Laboratory, Physics, Iowa State University
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Kai-Ming Ho
Ames Laboratory, Iowa State University, Department of Physics and Astronomy, Iowa State University