Formation of Ferroelectric Domains Observed in Simulation of Droplets of Dipolar Particles

In this work it is shown that domains of ordered dipoles are formed in large droplets made from dipolar particles provided that the dipole−dipole interaction between nearest neighbors is larger than the thermal energy. The size of the domains grows almost linearly with the size of the droplets for d...

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Bibliographic Details
Published inThe journal of physical chemistry. B Vol. 111; no. 36; pp. 10745 - 10758
Main Author Karlström, Gunnar
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 13.09.2007
Subjects
Chemical Sciences
Kemi
Natural Sciences
Naturvetenskap
Teoretisk kemi
Theoretical Chemistry
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Summary:In this work it is shown that domains of ordered dipoles are formed in large droplets made from dipolar particles provided that the dipole−dipole interaction between nearest neighbors is larger than the thermal energy. The size of the domains grows almost linearly with the size of the droplets for droplets containing 1000−30 000 particles. The largest domains occupy around 25−35% of the droplet volume. The total dipole moment of a domain is of the order of 3−10% of the maximum dipole moment possible if all dipoles in the domain were parallel. The finding offers an explanation to the observation that different boundary conditions yield different long-range order for dipolar liquids and challenges the present view of a short-range dipolar order in polar solvents.
Bibliography:ark:/67375/TPS-TGCD7DPX-3
istex:56637D8C911029CF13103170600D654B45A42A6A
ObjectType-Article-1
SourceType-Scholarly Journals-1
ObjectType-Feature-2
content type line 23
ISSN:1520-6106
1520-5207
1520-5207
DOI:10.1021/jp072178e