Long-time self-diffusion for Brownian Gaussian-core particles

DOI10.1016/J.CPC.2008.01.009MaRDI QIDQ711179zbMATH OpenOpenAlexWikidataFDO

Authors H. H. Wensink, Hartmut Löwen, M. Rex, C. N. Likos, S. Van Teeffelen

Publication date 25 October 2010

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/0710.3111

zbMATH Keywords

Brownian dynamicscolloidsself-diffusionsimulations

Mathematics Subject Classification ID

Random walks, random surfaces, lattice animals, etc. in equilibrium statistical mechanics (82B41) Statistical mechanics of random media, disordered materials (including liquid crystals and spin glasses) (82D30)

Abstract: Using extensive Brownian dynamics computer simulations, the long-time self-diffusion coefficient is calculated for Gaussian-core particles as a function of the number density. Both spherical and rod-like particles interacting via Gaussian segments ar$ For increasing concentration we find that the translational self-diffusion behaves non-monotonically reflecting the structural reentrance effect in the equilibrium phase diagram. Both in the limits of zero and infinite concentration, it approaches its short-time value. The microscopic Medina-Noyola theory qualitatively accounts for the translational long-time diffusion. The long-time orientational diffusion coefficient for Gaussian rods, on the other hand, remains very close to its short-time counterpart for any density. Some implications of the weak translation-rotation coupling for ultrasoft rods are discussed.

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Cites work

• Dynamic simulation of hydrodynamically interacting particles

Cited in

(7)

• The long time and Brownian limits of tagged particle motion in liquids
• Self-diffusion for Brownian motions with local interaction
• Long time behaviour of a stochastic nanoparticle
• Anomalous diffusion in the Gaussian core model (GCM)-liquid
• Brownian diffusion in concentrated suspensions of interacting particles
• Effects of rotational anisotropy on the self-diffusion coefficient of a dilute fluid composed of infinitely thin hard needles
• Long time asymptotics of a Brownian particle coupled with a random environment with non-diffusive feedback force

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