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.

Presenters

  • Shang Ren

    Department of Physics and Astronomy, Iowa State University

Authors

  • Shang Ren

    Department of Physics and Astronomy, Iowa State University

  • Yang Sun

    Ames Laboratory

  • Feng Zhang

    Ames Laboratory

  • Alex Travesset

    Iowa State University, Department of Physics and Astronomy, Iowa State University

  • Cai-Zhuang Wang

    Ames Laboratory, Physics, Iowa State University

  • Kai-Ming Ho

    Ames Laboratory, Iowa State University, Department of Physics and Astronomy, Iowa State University