English

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

Soft Condensed Matter 2018-10-26 v1

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.

Keywords

Cite

@article{arxiv.1810.10709,
  title  = {Calculation of Critical Nucleation Rates by the Persistent Embryo Method: Application to Quasi Hard Sphere Models},
  author = {Shang Ren and Yang Sun and Feng Zhang and Alex Travesset and Cai-Zhuang Wang and Kai-Ming Ho},
  journal= {arXiv preprint arXiv:1810.10709},
  year   = {2018}
}

Comments

27 pages, 11 figures