4.6 Article

Particle-Resolved Phase Identification in Two-Dimensional Condensable Systems

期刊

JOURNAL OF PHYSICAL CHEMISTRY C
卷 121, 期 48, 页码 26860-26868

出版社

AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.7b09317

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资金

  1. Russian Science Foundation [17-19-01691]
  2. Russian Science Foundation [17-19-01691] Funding Source: Russian Science Foundation

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A method for phase identification (MPI) in two-dimensional (2D) condensable systems is proposed on the basis of the analysis of the Voronoi cells' characteristics. A simple algorithm is developed for determination of particles belonging to a condensate, a gaseous state, and an interface between them (surface). The efficiency and stability of the developed method is studied using molecular dynamics simulations and calculation of binodals in 2D systems with both short- and long-range attraction between particles. To illustrate prospectives of the method for experimental studies, 2D clusters of 2.12 mu m diameter colloidal silica particles assembled in a rotating external electric field have been analyzed using the MPI. The results prove that the MPI possesses high accuracy and can be applied to analyze in detail both simulation data (obtained by molecular dynamics or Monte Carlo methods) and results of particle-resolved experimental studies (with colloidal suspensions and complex (dusty) plasmas) of solids and liquids when the considered multiparticle systems can undergo spinodal decomposition. The developed method can be generalized to analyze three-dimensional and multicomponent systems, and therefore, the presented results are of relevance for a broad range of problems in physical chemistry, chemical physics, and materials science.

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