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http://bura.brunel.ac.uk/handle/2438/26548| Title: | Non-equilibrium molecular simulations of thin film rupture |
| Authors: | Rahman, MR Shen, L Ewen, JP Collard, B Heyes, DM Dini, D Smith, ER |
| Issue Date: | 17-Apr-2023 |
| Publisher: | AIP Publishing |
| 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. |
| 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. |
| Description: | Data availability: The data that support the findings of this study are available from the corresponding author upon reasonable request. Codes to reproduce and analyze the data reported in this work can be found at https://github.com/MuhammadRRahman/Thin-Film-Rupture-NEMD.git. 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 . |
| URI: | https://bura.brunel.ac.uk/handle/2438/26548 |
| DOI: | https://doi.org/10.1063/5.0149974 |
| ISSN: | 0021-9606 |
| Other Identifiers: | ORCID iD: Muhammad Rizwanur Rahman https://orcid.org/0000-0002-1867-0737 ORCID iD: James P. Ewen https://orcid.org/0000-0001-5110-6970 ORCID iD: Benjamin Collard https://orcid.org/0000-0003-2225-3490 ORCID iD: D. M. Heyes https://orcid.org/0000-0002-4439-4828 ORCID iD: Daniele Dini https://orcid.org/0000-0002-5518-499X ORCID iD: E. R. Smith https://orcid.org/0000-0002-7434-5912. 151104 |
| Appears in Collections: | Dept of Mechanical and Aerospace Engineering Research Papers |
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| File | Description | Size | Format | |
|---|---|---|---|---|
| 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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