Molecular dynamics simulations of crystallization of hard spheres
نویسندگان
چکیده
منابع مشابه
Molecular dynamics simulations of crystallization of hard spheres.
We have carried out molecular dynamics simulations of the crystallization of hard spheres modeling colloidal systems that are studied in conventional and space-based experiments. We use microscopic probes to investigate the effects of gravitational forces, polydispersity, and of bounding walls on the phase structure. The simulations employed an extensive exclusive particle grid method and the t...
متن کاملMolecular dynamics of a dense fluid of polydisperse hard spheres
Slow dynamics in a fluid are studied in one of the most basic systems possible: polydisperse hard spheres. Monodisperse hard spheres cannot be studied as the slow down in dynamics as the density is increased is preempted by crystallisation. As the dynamics slow they become more heterogeneous, the spread in the distances traveled by different particles in the same time increases. However, the dy...
متن کاملHard spheres: crystallization and glass formation.
Motivated by old experiments on colloidal suspensions, we report molecular dynamics simulations of assemblies of hard spheres, addressing crystallization and glass formation. The simulations cover wide ranges of polydispersity s (standard deviation of the particle size distribution divided by its mean) and particle concentration. No crystallization is observed for s>0.07. For 0.02<s<0.07, we fi...
متن کاملDevelopment of molecular dynamics methodology for simulations of hard materials
This thesis is focused on molecular dynamics simulations, both classical and ab initio. It is devoted to development of new methods and applications of molecular dynamics based techniques to a series of materials, all of which have the common property of being hard. I first study grain boundaries in diamond and apply a novel method to better explore the configurational phase space. Using this m...
متن کاملFractionated crystallization in a polydisperse mixture of hard spheres
We consider the nature of the fluid–solid phase transition in a polydisperse mixture of hard spheres. For a sufficiently polydisperse mixture (s.0.085) crystallization occurs with simultaneous fractionation. At the fluid–solid boundary, a broad fluid diameter distribution is split into a number of narrower fractions, each of which then crystallize. The number of crystalline phases increases wit...
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ژورنال
عنوان ژورنال: Physical Review E
سال: 2002
ISSN: 1063-651X,1095-3787
DOI: 10.1103/physreve.66.061401