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Formation of ferroelectric domains observed in simulation of droplets of dipolar particles

Karlström, Gunnar LU (2007) In The Journal of Physical Chemistry Part B 111(36). p.10745-10758
Abstract
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... (More)
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. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
The Journal of Physical Chemistry Part B
volume
111
issue
36
pages
10745 - 10758
publisher
The American Chemical Society
external identifiers
  • wos:000249329500015
  • scopus:34848892419
ISSN
1520-5207
DOI
10.1021/jp072178e
language
English
LU publication?
yes
id
8f8601b9-5c43-4dda-9d2a-1891d6a2479d (old id 657138)
date added to LUP
2007-12-13 11:15:40
date last changed
2017-01-01 06:54:58
@article{8f8601b9-5c43-4dda-9d2a-1891d6a2479d,
  abstract     = {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.},
  author       = {Karlström, Gunnar},
  issn         = {1520-5207},
  language     = {eng},
  number       = {36},
  pages        = {10745--10758},
  publisher    = {The American Chemical Society},
  series       = {The Journal of Physical Chemistry Part B},
  title        = {Formation of ferroelectric domains observed in simulation of droplets of dipolar particles},
  url          = {http://dx.doi.org/10.1021/jp072178e},
  volume       = {111},
  year         = {2007},
}