Molecular shape and flexoelectricity
نویسندگان
چکیده
منابع مشابه
Dipolar interactions, molecular flexibility, and flexoelectricity in bent-core liquid crystals.
The effects of dipolar interactions and molecular flexibility on the structure and phase behavior of bent-core molecular fluids are studied using Monte Carlo computer simulations. Some calculations of flexoelectric coefficients are also reported. The rigid cores of the model molecules consist of either five or seven soft spheres arranged in a "V" shape with external bend angle gamma. With purel...
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Flexoelectricity and the concomitant emergence of electromechanical size-effects at the nanoscale have been recently exploited to propose tantalizing concepts such as the creation of “apparently piezoelectric” materials without piezoelectric materials, e.g. graphene, emergence of “giant” piezoelectricity at the nanoscale, enhanced energy harvesting, among others. The aforementioned developments...
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The solutions for the minimizers of the energy density f (q, p) = Aq2 + Bq4 + p2 + gA,B + ( ) β κ − + | | + | | ′ ′ ′ ′ q p p q q p 2 2 describe the flexoelectric effect with a flexoelectric coupling coefficient β. The order parameters q and p can be visualized as strain and polarisation, respectively. The parameter κ denotes the ratio of intrinsic length scales for q and p. We show that the st...
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The paper presents and illustrates a method which uses numerical integration of the van der Waals envelope(s) to calculate with desired accuracy the molecular van der Waals volume and the three-dimensional molecular shape descriptor defined as the twin-number [OV(a, /?); NOV(/?, a)], where OV and NOV represent the overlapping and, respectively, the nonoverlapping van der Waals volumes of the mo...
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ژورنال
عنوان ژورنال: Liquid Crystals
سال: 2000
ISSN: 0267-8292,1366-5855
DOI: 10.1080/02678290050121999