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Polar vector property of the stationary state of condensed molecular matter

Type of publication Peer-reviewed
Publikationsform Original article (peer-reviewed)
Publication date 2013
Author Hulliger Jürg, Cannavacciuolo Luigi, Rech Mathias,
Project Fundamentale Wachstumsinstabilität für Kristalle welche einer uniaxialen polaren Punktgruppe angehören
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Original article (peer-reviewed)

Journal Symmetry
Volume (Issue) 6(4)
Page(s) 844 - 850
Title of proceedings Symmetry
DOI 10.3390/sym6040844

Abstract

© 2014 by the authors. 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 Pel. The investigation has been extended to liquid droplets made of dipolar entities by molecular dynamics simulations. We demonstrate the development of an m∞ quasi bi-polar state leading to a charged surface.
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