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DC Field | Value | Language |
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dc.contributor.author | Rahman, MR | - |
dc.contributor.author | Shen, L | - |
dc.contributor.author | Ewen, JP | - |
dc.contributor.author | Collard, B | - |
dc.contributor.author | Heyes, DM | - |
dc.contributor.author | Dini, D | - |
dc.contributor.author | Smith, ER | - |
dc.date.accessioned | 2023-05-27T12:39:33Z | - |
dc.date.available | 2023-05-27T12:39:33Z | - |
dc.date.issued | 2023-04-17 | - |
dc.identifier | ORCID iD: Muhammad Rizwanur Rahman https://orcid.org/0000-0002-1867-0737 | - |
dc.identifier | ORCID iD: James P. Ewen https://orcid.org/0000-0001-5110-6970 | - |
dc.identifier | ORCID iD: Benjamin Collard https://orcid.org/0000-0003-2225-3490 | - |
dc.identifier | ORCID iD: D. M. Heyes https://orcid.org/0000-0002-4439-4828 | - |
dc.identifier | ORCID iD: Daniele Dini https://orcid.org/0000-0002-5518-499X | - |
dc.identifier | ORCID iD: E. R. Smith https://orcid.org/0000-0002-7434-5912. | - |
dc.identifier | 151104 | - |
dc.identifier.citation | Rahman, 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.issn | 0021-9606 | - |
dc.identifier.uri | https://bura.brunel.ac.uk/handle/2438/26548 | - |
dc.description | Data availability: The data that support the findings of this study are available from the corresponding author upon reasonable request. | en_US |
dc.description | Codes to reproduce and analyze the data reported in this work can be found at https://github.com/MuhammadRRahman/Thin-Film-Rupture-NEMD.git. | - |
dc.description | Supplementary 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.abstract | The 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.sponsorship | M.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.extent | 1 - 7 | - |
dc.format.medium | Print-Electronic | - |
dc.language | English | - |
dc.language.iso | en_US | en_US |
dc.publisher | AIP Publishing | en_US |
dc.rights | Copyright © 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.rights | Author(s) | - |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | - |
dc.title | Non-equilibrium molecular simulations of thin film rupture | en_US |
dc.type | Article | en_US |
dc.identifier.doi | https://doi.org/10.1063/5.0149974 | - |
dc.relation.isPartOf | Journal of Chemical Physics | - |
pubs.issue | 15 | - |
pubs.publication-status | Published | - |
pubs.volume | 158 | - |
dc.identifier.eissn | 1089-7690 | - |
Appears in Collections: | Dept of Mechanical and Aerospace Engineering Research Papers |
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FullText.pdf | Copyright © 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/). | 5.15 MB | Adobe PDF | View/Open |
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