Polar Vector Property of the Stationary State of Condensed Molecular Matter

Symmetry

Jürg Hulliger¹  Luigi Cannavacciuolo² 

[1] Department of Chemistry, University of Bern, Freiestrasse 3, 3012 Bern, Switzerland;

关键词: molecular crystals;    polarity;    parity;    continuous groups;    orientational disorder;   

DOI  :  10.3390/sym6040844

来源: mdpi

【 摘 要 】

Crystalline phases undergoing 180° orientational disorder of dipolar entities in the seed or at growing (hkl) faces will show a polar vector property described by ∞/mm symmetry. Seeds and crystals develop a bi-polar state (∞/mm), where domains related by a mirror plane m allow for a ∞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 P_el. The investigation has been extended to liquid droplets made of dipolar entities by molecular dynamics simulations. We demonstrate the development of anquasi bi-polar state leading to a charged surface.

【 授权许可】

CC BY   
© 2014 by the authors; licensee MDPI, Basel, Switzerland