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Symmetry 2014, 6(4), 844-850; doi:10.3390/sym6040844

Polar Vector Property of the Stationary State of Condensed Molecular Matter

Department of Chemistry, University of Bern, Freiestrasse 3, 3012 Bern, Switzerland
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Received: 3 June 2014 / Revised: 15 September 2014 / Accepted: 26 September 2014 / Published: 13 October 2014
(This article belongs to the Special Issue Crystal Symmetry and Structure)
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Abstract

Crystalline phases undergoing 180\(^{\circ}\) orientational disorder of dipolar entities in the seed or at growing (hkl) faces will show a polar vector property described by \(\infty\) /mm symmetry. Seeds and crystals develop a bi-polar state (\(\infty\)/mm), where domains related by a mirror plane m allow for a \(\infty\) m symmetry in each domain. The polarity of domains is due to energetic favorable interactions at the object-to-nutrient interface. Such interactions are well reproduced by an Ising Hamiltonian. Two-dimensional Monte Carlo simulations performed for real molecules with full long-range interactions allow us to calculate the spatial distribution of the electrical polarization Pel. The investigation has been extended to liquid droplets made of dipolar entities by molecular dynamics simulations. We demonstrate the development of an m\(\bar{\infty}\) quasi bi-polar state leading to a charged surface. View Full-Text
Keywords: molecular crystals; polarity; parity; continuous groups; orientational disorder molecular crystals; polarity; parity; continuous groups; orientational disorder
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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MDPI and ACS Style

Hulliger, J.; Cannavacciuolo, L.; Rech, M. Polar Vector Property of the Stationary State of Condensed Molecular Matter. Symmetry 2014, 6, 844-850.

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