dc.contributor.author
Bakhshandeh, Amin
dc.contributor.author
dos Santos, Alexandre P.
dc.contributor.author
Levin, Yan
dc.date.accessioned
2019-03-28T13:00:26Z
dc.date.available
2019-03-28T13:00:26Z
dc.identifier.uri
https://refubium.fu-berlin.de/handle/fub188/24220
dc.identifier.uri
http://dx.doi.org/10.17169/refubium-1992
dc.description.abstract
We present a method to efficiently simulate nano-patterned charged surfaces inside an electrolyte solution. Simulations are performed in the grand canonical ensemble and are used to calculate the force between surfaces with various charge patterns. The electric field produced by the surfaces is calculated analytically and is used as an external potential. To treat the long range Coulomb interaction between the ions we use a modified 3d Ewald summation method. The force between the surfaces is found to depend strongly on the specific charge pattern, on the surface alignment and separation.
en
dc.rights.uri
http://www.fu-berlin.de/sites/refubium/rechtliches/Nutzungsbedingungen
dc.subject
nano-patterned charged surfaces
en
dc.subject
Ewald summation method
en
dc.subject
Simulations in grand canonical ensemble
en
dc.subject.ddc
500 Natural sciences and mathematics::530 Physics::530 Physics
dc.title
Efficient simulation method for nano-patterned charged surfaces in an electrolyte solution
dc.type
Wissenschaftlicher Artikel
dcterms.bibliographicCitation.doi
10.1039/C8SM00226F
dcterms.bibliographicCitation.journaltitle
Soft Matter
dcterms.bibliographicCitation.number
20
dcterms.bibliographicCitation.pagestart
4081
dcterms.bibliographicCitation.pageend
4086
dcterms.bibliographicCitation.volume
14
dcterms.bibliographicCitation.url
https://pubs.rsc.org/en/Content/ArticleLanding/2018/SM/C8SM00226F#!divAbstract
refubium.affiliation
Physik
refubium.affiliation.other
Institut für Theoretische Physik
refubium.funding
Open Access Publikation in Allianzlizenz
refubium.resourceType.isindependentpub
no
dcterms.accessRights.openaire
open access