Enhancement of Crystallization of Hard Spheres by Gravity: Monte Carlo Simulation

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  • Yanagiya Shin-ichiro
    Department of Optical Science and Technology, Faculty of Engineering, The University of Tokushima
  • Mori Atsushi
    Department of Optical Science and Technology, Faculty of Engineering, The University of Tokushima
  • Suzuki Yoshihisa
    Department of Chemical Science and Technology, Faculty of Engineering, The University of Tokushima
  • Miyoshi Yasuo
    Department of Optical Science and Technology, Faculty of Engineering, The University of Tokushima
  • Kasuga Masashi
    Department of Chemical Science and Technology, Faculty of Engineering, The University of Tokushima
  • Sawada Tsutomu
    Institute for Materials Science
  • Ito Kensaku
    Department of Material Systems Engineering and Life Science, Faculty of Engineering, Toyama University
  • Inoue Tetsuo
    Department of Optical Science and Technology, Faculty of Engineering, The University of Tokushima

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Abstract

We present the effects of gravity on the growth of a hard-sphere (HS) crystal as determined by Monte Carlo simulations. HSs were confined between hard walls at the top (z=Lz) and the bottom (z=0) of the system with a periodic boundary condition in the horizontal direction. After preparing a melt state as an initial state, the gravity was suddenly switched on. The values of the gravity were mgσ⁄kBT(≡g*)=0.1,0.2,…,2.0, where m was the mass of a HS, g the acceleration of gravity, σ the HS diameter, and kBT the temperature multiplied by Boltzmann’s constant. We observed the enhancement of crystallization due to gravity up to g*=0.7 and that the crystals of largest size were formed at g*=0.7–0.9. On the other hand, for g*≥1.0, the top position of the HS crystal that was grown from the bottom became lower with an increase in the gravity, where crystals with various axis directions coexisted. The polycrystallization is speculated to occur due to polynucleation. These results are qualitatively consistent with those of an experimental study of the centrifugal sedimentation of colloidal crystallization.

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