Journal Article

FZJ-2019-03795

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Solvent-induced depletion interactions in multiparticle collision dynamic simulations

Wagner, M. ; Ripoll, M. (Corresponding author)FZJ*

2019
World Scientific Singapore [u.a.]

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Please use a persistent id in citations: http://hdl.handle.net/2128/23242  doi:10.1142/S0129183119410080

Abstract: Molecular-dynamics-coupled multiparticle collision dynamic (MPC-MD) simulations have emerged to be an efficient and versatile tool in the description of mesoscale colloidal dynamics. However, the compressibility of the coarse-grained fluid leads to this method being prone to spurious depletion interactions that may dominate the colloidal dynamics. In this paper, we review the existing methodology to deal with these interactions, establish and report depletion measurements, and present a method to avoid artificial depletion in mesoscale simulation methods.

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Contributing Institute(s):

1. Theorie der Weichen Materie und Biophysik (ICS-2)
2. JARA - HPC (JARA-HPC)

Research Program(s):

1. 551 - Functional Macromolecules and Complexes (POF3-551) (POF3-551)
2. Thermophoretic microswimmers: from single particle to collective properties (jics22_20151101) (jics22_20151101)

Appears in the scientific report 2019

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Database coverage:
; ; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Web of Science Core Collection

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