Vacancy-stabilized crystalline order in hard cubes

@article{Smallenburg2012VacancystabilizedCO,
  title={Vacancy-stabilized crystalline order in hard cubes},
  author={F. Smallenburg and L. Filion and M. Marechal and M. Dijkstra},
  journal={Proceedings of the National Academy of Sciences},
  year={2012},
  volume={109},
  pages={17886 - 17890}
}
We examine the effect of vacancies on the phase behavior and structure of systems consisting of hard cubes using event-driven molecular dynamics and Monte Carlo simulations. We find a first-order phase transition between a fluid and a simple cubic crystal phase that is stabilized by a surprisingly large number of vacancies, reaching a net vacancy concentration of approximately 6.4% near bulk coexistence. Remarkably, we find that vacancies increase the positional order in the system. Finally, we… Expand
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