Cargando…

A dissipative particle dynamics study of the realignment of a nanodroplet of a nematic in a weak external magnetic field

We present a dissipative particle dynamics (DPD) approach for simulating the realignment of a nematic nanodroplet suspended in an isotropic fluid following a switch in the direction of an applied external magnetic field. The interaction of the mesogens with the external field is weak relative to the...

Descripción completa

Detalles Bibliográficos
Autores principales: Levine, Y. K., Polimeno, A.
Formato: Texto
Lenguaje:English
Publicado: Società Italiana di Fisica 2007
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2798057/
https://www.ncbi.nlm.nih.gov/pubmed/17497077
http://dx.doi.org/10.1140/epje/i2006-10080-6
_version_ 1782175715925426176
author Levine, Y. K.
Polimeno, A.
author_facet Levine, Y. K.
Polimeno, A.
author_sort Levine, Y. K.
collection PubMed
description We present a dissipative particle dynamics (DPD) approach for simulating the realignment of a nematic nanodroplet suspended in an isotropic fluid following a switch in the direction of an applied external magnetic field. The interaction of the mesogens with the external field is weak relative to the inter-molecular interactions. The simulations were used to investigate the way orientational equilibrium is re-established. The results reveal that the realignment process of the nanodroplet is consistent with its fluid structure. The reorientation of the nanodroplet as a whole is found to be caused by an internal structural rearrangement rather than a coherent rotation of the centres of mass of the mesogens about the centre of the nanodroplet. The switch in the field direction furthermore is found to induce a transient spatial variation in the orientational order of the long axes of the mesogens: the orientational order parameters decreases on moving from the core of the nanodroplet to the surface in contact with the isotropic environment. The results highlight differences between the time evolution of the orientation of the long molecular axes in the field and the rotations of the centres of mass of the mesogens about the centre of the nanodroplet.
format Text
id pubmed-2798057
institution National Center for Biotechnology Information
language English
publishDate 2007
publisher Società Italiana di Fisica
record_format MEDLINE/PubMed
spelling pubmed-27980572010-01-13 A dissipative particle dynamics study of the realignment of a nanodroplet of a nematic in a weak external magnetic field Levine, Y. K. Polimeno, A. Eur Phys J E Soft Matter Regular Article We present a dissipative particle dynamics (DPD) approach for simulating the realignment of a nematic nanodroplet suspended in an isotropic fluid following a switch in the direction of an applied external magnetic field. The interaction of the mesogens with the external field is weak relative to the inter-molecular interactions. The simulations were used to investigate the way orientational equilibrium is re-established. The results reveal that the realignment process of the nanodroplet is consistent with its fluid structure. The reorientation of the nanodroplet as a whole is found to be caused by an internal structural rearrangement rather than a coherent rotation of the centres of mass of the mesogens about the centre of the nanodroplet. The switch in the field direction furthermore is found to induce a transient spatial variation in the orientational order of the long axes of the mesogens: the orientational order parameters decreases on moving from the core of the nanodroplet to the surface in contact with the isotropic environment. The results highlight differences between the time evolution of the orientation of the long molecular axes in the field and the rotations of the centres of mass of the mesogens about the centre of the nanodroplet. Società Italiana di Fisica 2007-05-14 2007 /pmc/articles/PMC2798057/ /pubmed/17497077 http://dx.doi.org/10.1140/epje/i2006-10080-6 Text en © The Author(s) 2007 https://creativecommons.org/licenses/by/4.0/Open Access This article is distributed under the terms of the Creative Commons Attribution License which permits any use, distribution and reproduction in any medium, provided the original author(s) and source are credited.
spellingShingle Regular Article
Levine, Y. K.
Polimeno, A.
A dissipative particle dynamics study of the realignment of a nanodroplet of a nematic in a weak external magnetic field
title A dissipative particle dynamics study of the realignment of a nanodroplet of a nematic in a weak external magnetic field
title_full A dissipative particle dynamics study of the realignment of a nanodroplet of a nematic in a weak external magnetic field
title_fullStr A dissipative particle dynamics study of the realignment of a nanodroplet of a nematic in a weak external magnetic field
title_full_unstemmed A dissipative particle dynamics study of the realignment of a nanodroplet of a nematic in a weak external magnetic field
title_short A dissipative particle dynamics study of the realignment of a nanodroplet of a nematic in a weak external magnetic field
title_sort dissipative particle dynamics study of the realignment of a nanodroplet of a nematic in a weak external magnetic field
topic Regular Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2798057/
https://www.ncbi.nlm.nih.gov/pubmed/17497077
http://dx.doi.org/10.1140/epje/i2006-10080-6
work_keys_str_mv AT levineyk adissipativeparticledynamicsstudyoftherealignmentofananodropletofanematicinaweakexternalmagneticfield
AT polimenoa adissipativeparticledynamicsstudyoftherealignmentofananodropletofanematicinaweakexternalmagneticfield
AT levineyk dissipativeparticledynamicsstudyoftherealignmentofananodropletofanematicinaweakexternalmagneticfield
AT polimenoa dissipativeparticledynamicsstudyoftherealignmentofananodropletofanematicinaweakexternalmagneticfield