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Diffusion of hard disks and rodlike molecules on surfaces

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.author Lahtinen, J. M.
dc.contributor.author Hjelt, T.
dc.contributor.author Ala-Nissilä, Tapio
dc.contributor.author Chvoj, Z.
dc.date.accessioned 2015-04-28T09:44:43Z
dc.date.available 2015-04-28T09:44:43Z
dc.date.issued 2001
dc.identifier.citation Lahtinen, J. M. & Hjelt, T. & Ala-Nissilä, Tapio & Chvoj, Z. 2001. Diffusion of hard disks and rodlike molecules on surfaces. Physical Review E. Volume 64, Issue 2. P. 021204/1-7. ISSN 1539-3755 (printed). DOI: 10.1103/physreve.64.021204. en
dc.identifier.issn 1539-3755 (printed)
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/15801
dc.description.abstract We study the submonolayer diffusion of hard disks and rodlike molecules on smooth surfaces through numerical simulations and theoretical arguments. We concentrate on the behavior of the various diffusion coefficients as a function of the two-dimensional (2D) number density ρ in the case where there are no explicit surface-particle interactions. For the hard disk case, we find that while the tracer diffusion coefficient DT(ρ) decreases monotonically up to the freezing transition, the collective diffusion coefficient DC(ρ) is wholly determined by the inverse compressibility which increases rapidly on approaching freezing. We also study memory effects associated with tracer diffusion, and present theoretical estimates of DT(ρ) from the mode-mode coupling approximation. In the case of rigid rods with short-range repulsion and no orientational ordering, we find behavior very similar to the case of disks with the same repulsive interaction. Both DT(ρ) and the angular diffusion coefficient DR(ρ) decrease with ρ. Also in this case DC(ρ) is determined by inverse compressibility and increases rapidly close to freezing. This is in contrast to the case of flexible chainlike molecules in the lattice-gas limit, where DC(ρ) first increases and then decreases as a function of the density due to the interplay between compressibility and mobility. en
dc.format.extent 021204/1-7
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher American Physical Society (APS) en
dc.relation.ispartofseries Physical Review E en
dc.relation.ispartofseries Volume 64, Issue 2
dc.rights © 2001 American Physical Society (APS). http://www.aps.org en
dc.subject.other Physics en
dc.title Diffusion of hard disks and rodlike molecules on surfaces en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.rights.holder American Physical Society (APS)
dc.contributor.school Perustieteiden korkeakoulu fi
dc.contributor.school School of Science en
dc.contributor.department Teknillisen fysiikan laitos fi
dc.contributor.department Department of Applied Physics en
dc.subject.keyword surface diffusion en
dc.subject.keyword Brownian motion en
dc.subject.keyword computer simulations en
dc.identifier.urn URN:NBN:fi:aalto-201504282462
dc.type.dcmitype text en
dc.identifier.doi 10.1103/physreve.64.021204
dc.type.version Final published version en

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