Polar Vector Property of the Stationary State of Condensed Molecular Matter

Symmetry

Luigi Cannavacciuolo¹  Jürg Hulliger¹  Mathias Rech¹ 

[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: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown