Change search
ReferencesLink to record
Permanent link

Direct link
Brownian dynamics simulations with hard-body interactions: Spherical particles
Stockholm University, Nordic Institute for Theoretical Physics (Nordita).
2012 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 137, no 16, 164108- p.Article in journal (Refereed) Published
Abstract [en]

A novel approach to account for hard-body interactions in (overdamped) Brownian dynamics simulations is proposed for systems with non-vanishing force fields. The scheme exploits the analytically known transition probability for a Brownian particle on a one-dimensional half-line. The motion of a Brownian particle is decomposed into a component that is affected by hard-body interactions and into components that are unaffected. The hard-body interactions are incorporated by replacing the affected component of motion by the evolution on a half-line. It is discussed under which circumstances this approach is justified. In particular, the algorithm is developed and formulated for systems with space-fixed obstacles and for systems comprising spherical particles. The validity and justification of the algorithm is investigated numerically by looking at exemplary model systems of soft matter, namely at colloids in flow fields and at protein interactions. Furthermore, a thorough discussion of properties of other heuristic algorithms is carried out.

Place, publisher, year, edition, pages
2012. Vol. 137, no 16, 164108- p.
National Category
Atom and Molecular Physics and Optics
URN: urn:nbn:se:su:diva-83789DOI: 10.1063/1.4761827ISI: 000310853800009OAI: diva2:578542


Available from: 2012-12-18 Created: 2012-12-14 Last updated: 2012-12-18Bibliographically approved

Open Access in DiVA

No full text

Other links

Publisher's full text

Search in DiVA

By author/editor
Eichhorn, Ralf
By organisation
Nordic Institute for Theoretical Physics (Nordita)
In the same journal
Journal of Chemical Physics
Atom and Molecular Physics and Optics

Search outside of DiVA

GoogleGoogle Scholar
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 43 hits
ReferencesLink to record
Permanent link

Direct link