The browser you are using is not supported by this website. All versions of Internet Explorer are no longer supported, either by us or Microsoft (read more here: https://www.microsoft.com/en-us/microsoft-365/windows/end-of-ie-support).

Please use a modern browser to fully experience our website, such as the newest versions of Edge, Chrome, Firefox or Safari etc.

Default user image.

Gunnar Karlström

Professor emeritus

Default user image.

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

Author

  • Gunnar Karlström

Summary, in English

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.

Department/s

  • Computational Chemistry

Publishing year

2007

Language

English

Pages

10745-10758

Publication/Series

The Journal of Physical Chemistry Part B

Volume

111

Issue

36

Document type

Journal article

Publisher

The American Chemical Society (ACS)

Topic

  • Theoretical Chemistry (including Computational Chemistry)

Status

Published

ISBN/ISSN/Other

  • ISSN: 1520-5207