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Updated: Mar 13, 2026
Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
Polarity formation in crystals with long range molecular interactions: A Monte Carlo study
Luigi Cannavacciuolo1, Jürg Hulliger1
1Department of Chemistry , University of Bern, Bern, Switzerland.
Abstract:
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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