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Please use this identifier to cite or link to this item: http://bura.brunel.ac.uk/handle/2438/26548
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dc.contributor.authorRahman, MR-
dc.contributor.authorShen, L-
dc.contributor.authorEwen, JP-
dc.contributor.authorCollard, B-
dc.contributor.authorHeyes, DM-
dc.contributor.authorDini, D-
dc.contributor.authorSmith, ER-
dc.date.accessioned2023-05-27T12:39:33Z-
dc.date.available2023-05-27T12:39:33Z-
dc.date.issued2023-04-17-
dc.identifierORCID iD: Muhammad Rizwanur Rahman https://orcid.org/0000-0002-1867-0737-
dc.identifierORCID iD: James P. Ewen https://orcid.org/0000-0001-5110-6970-
dc.identifierORCID iD: Benjamin Collard https://orcid.org/0000-0003-2225-3490-
dc.identifierORCID iD: D. M. Heyes https://orcid.org/0000-0002-4439-4828-
dc.identifierORCID iD: Daniele Dini https://orcid.org/0000-0002-5518-499X-
dc.identifierORCID iD: E. R. Smith https://orcid.org/0000-0002-7434-5912.-
dc.identifier151104-
dc.identifier.citationRahman, M.R. et al. (2023) 'Non-equilibrium molecular simulations of thin film rupture', Journal of Chemical Physics, 158 (15), 151104, pp. 1 - 7. doi: 10.1063/5.0149974.en_US
dc.identifier.issn0021-9606-
dc.identifier.urihttps://bura.brunel.ac.uk/handle/2438/26548-
dc.descriptionData availability: The data that support the findings of this study are available from the corresponding author upon reasonable request.en_US
dc.descriptionCodes to reproduce and analyze the data reported in this work can be found at https://github.com/MuhammadRRahman/Thin-Film-Rupture-NEMD.git.-
dc.descriptionSupplementary data are available online at https://pubs.aip.org/aip/jcp/article/158/15/151104/2882242/Non-equilibrium-molecular-simulations-of-thin-film#supplementary-data .-
dc.description.abstractThe retraction of thin films, as described by the Taylor–Culick (TC) theory, is subject to widespread debate, particularly for films at the nanoscale. We use non-equilibrium molecular dynamics simulations to explore the validity of the assumptions used in continuum models by tracking the evolution of holes in a film. By deriving a new mathematical form for the surface shape and considering a locally varying surface tension at the front of the retracting film, we reconcile the original theory with our simulation to recover a corrected TC speed valid at the nanoscale.en_US
dc.description.sponsorshipM.R.R. acknowledges Shell and the Beit Trust for Ph.D. funding through a Beit Fellowship for Scientific Research. L.S. acknowledges the Engineering and Physical Sciences Research Council (EPSRC) for a Postdoctoral Fellowship (Grant No. EP/V005073/1). J.P.E. was supported by the Royal Academy of Engineering (RAEng) through their Research Fellowships scheme. B.C. was supported by Shell and the EPSRC via an iCASE Ph.D. studentship (Grant No. EP/T517690/1). D.D. acknowledges a Shell/RAEng Research Chair in Complex Engineering Interfaces and the EPSRC for an Established Career Fellowship (Grant No. EP/N025954/1).en_US
dc.format.extent1 - 7-
dc.format.mediumPrint-Electronic-
dc.languageEnglish-
dc.language.isoen_USen_US
dc.publisherAIP Publishingen_US
dc.rightsCopyright © Author(s) 2023. Published by AIP Publishing. All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).-
dc.rightsAuthor(s)-
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/-
dc.titleNon-equilibrium molecular simulations of thin film ruptureen_US
dc.typeArticleen_US
dc.identifier.doihttps://doi.org/10.1063/5.0149974-
dc.relation.isPartOfJournal of Chemical Physics-
pubs.issue15-
pubs.publication-statusPublished-
pubs.volume158-
dc.identifier.eissn1089-7690-
Appears in Collections:Dept of Mechanical and Aerospace Engineering Research Papers

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