Polarity formation in crystals with long range molecular interactions: A Monte Carlo study.

نویسندگان

  • Luigi Cannavacciuolo
  • Jürg Hulliger
چکیده

Stochastic formation of a bi-polar state in three dimensional arrays of polar molecules with full Coulomb interactions is reproduced by Monte Carlo simulation. The size of the system is comparable to that of a real crystal seed. The spatial decay of the average order parameter is significantly slowed down by the long range interactions and the exact representation of correlation effects in terms of a single characteristic length becomes impossible. Finite size effects and possible scale invariance symmetry of the order parameter are extensively discussed.

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عنوان ژورنال:
  • The Journal of chemical physics

دوره 145 12  شماره 

صفحات  -

تاریخ انتشار 2016