Interfacial free energy adjustable phase field crystal model for homogeneous nucleation

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

15 Scopus Citations
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Author(s)

  • Can Guo
  • Jincheng Wang
  • Junjie Li
  • Yaolin Guo
  • Yunhao Huang

Detail(s)

Original languageEnglish
Pages (from-to)4666-4673
Journal / PublicationSoft Matter
Volume12
Issue number20
Online published14 Apr 2016
Publication statusPublished - 28 May 2016
Externally publishedYes

Abstract

To describe the homogeneous nucleation process, an interfacial free energy adjustable phase-field crystal model (IPFC) was proposed by reconstructing the energy functional of the original phase field crystal (PFC) methodology. Compared with the original PFC model, the additional interface term in the IPFC model effectively can adjust the magnitude of the interfacial free energy, but does not affect the equilibrium phase diagram and the interfacial energy anisotropy. The IPFC model overcame the limitation that the interfacial free energy of the original PFC model is much less than the theoretical results. Using the IPFC model, we investigated some basic issues in homogeneous nucleation. From the viewpoint of simulation, we proceeded with an in situ observation of the process of cluster fluctuation and obtained quite similar snapshots to colloidal crystallization experiments. We also counted the size distribution of crystal-like clusters and the nucleation rate. Our simulations show that the size distribution is independent of the evolution time, and the nucleation rate remains constant after a period of relaxation, which are consistent with experimental observations. The linear relation between logarithmic nucleation rate and reciprocal driving force also conforms to the steady state nucleation theory.

Citation Format(s)

Interfacial free energy adjustable phase field crystal model for homogeneous nucleation. / Guo, Can; Wang, Jincheng; Wang, Zhijun; Li, Junjie; Guo, Yaolin; Huang, Yunhao.

In: Soft Matter, Vol. 12, No. 20, 28.05.2016, p. 4666-4673.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review