Show simple item record

dc.contributor.authorTownsend, Peteren
dc.contributor.authorEllis, Johnen
dc.date.accessioned2018-12-18T00:32:26Z
dc.date.available2018-12-18T00:32:26Z
dc.date.issued2018-11en
dc.identifier.issn0021-9606
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/287095
dc.description.abstractThe classical Langevin dynamics of a particle in a periodic potential energy landscape are studied via the intermediate scattering function (ISF). By construction, the particle performs coupled vibrational and activated jump motion with a wide separation of the vibrational period and the mean residence time between jumps. The long time limit of the ISF is a decaying tail proportional to the function that describes ideal jump motion in the absence of vibrations. The amplitude of the tail is unity in idealized jump dynamics models, but is reduced from unity by the intra-well motion. Analytical estimates of the amplitude of the jump motion signature are provided by assuming a \textcolor{blue}{factorization of the conditional probability density of the particle position at long times, motivated by the separation of time scales associated with inter-cell and intra-cell motion}. The assumption leads to a factorization of the ISF at long correlation times, where one factor is an ideal jump motion signature, and the other component is the amplitude of the signature. The amplitude takes the form of a single-particle anharmonic Debye-Waller factor. The factorization approximation is exact at the diffraction conditions associated with the periodic potential. Numerical simulations of the Langevin equation in one and two spatial dimensions confirm that for a strongly corrugated potential the analytical approximation provides a good qualitative description of the trend in the jump signature amplitude, between the points where the factorization is exact.
dc.format.mediumPrinten
dc.languageengen
dc.publisherAIP
dc.rightsPublisher's own licence
dc.rights.uri
dc.titleAmplitude of jump motion signatures in classical vibration-jump dynamics.en
dc.typeArticle
prism.issueIdentifier19en
prism.publicationDate2018en
prism.publicationNameThe Journal of chemical physicsen
prism.startingPage194705
prism.volume149en
dc.identifier.doi10.17863/CAM.34405
dcterms.dateAccepted2018-10-26en
rioxxterms.versionofrecord10.1063/1.5053123en
rioxxterms.versionVoR
rioxxterms.licenseref.urihttp://www.rioxx.net/licenses/all-rights-reserveden
rioxxterms.licenseref.startdate2018-11en
dc.contributor.orcidTownsend, Peter [0000-0003-1616-4037]
dc.identifier.eissn1089-7690
rioxxterms.typeJournal Article/Reviewen
pubs.funder-project-idEPSRC (1363145)
pubs.funder-project-idEPSRC (EP/E004962/1)
rioxxterms.freetoread.startdate2019-12-17


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record