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The Intrinsic Fragility of the Liquid–Vapor Interface: A Stress Network Perspective
[Image: see text] The evolution of the liquid–vapor interface of a Lennard-Jones fluid is examined with molecular dynamics simulations using the intrinsic sampling method. Results suggest clear damping of the intrinsic profiles with increasing temperature. Investigating the surface stress distributi...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9022435/ https://www.ncbi.nlm.nih.gov/pubmed/35385282 http://dx.doi.org/10.1021/acs.langmuir.2c00201 |
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author | Rahman, Muhammad Rizwanur Shen, Li Ewen, James P. Dini, Daniele Smith, E. R. |
author_facet | Rahman, Muhammad Rizwanur Shen, Li Ewen, James P. Dini, Daniele Smith, E. R. |
author_sort | Rahman, Muhammad Rizwanur |
collection | PubMed |
description | [Image: see text] The evolution of the liquid–vapor interface of a Lennard-Jones fluid is examined with molecular dynamics simulations using the intrinsic sampling method. Results suggest clear damping of the intrinsic profiles with increasing temperature. Investigating the surface stress distribution, we have identified a linear variation of the space-filling nature (fractal dimension) of the stress clusters at the intrinsic surface with increasing surface tension or, equivalently, with decreasing temperature. A percolation analysis of these stress networks indicates that the stress field is more disjointed at higher temperatures. This leads to more fragile (or poorly connected) interfaces which result in a reduction in surface tension. |
format | Online Article Text |
id | pubmed-9022435 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-90224352022-04-21 The Intrinsic Fragility of the Liquid–Vapor Interface: A Stress Network Perspective Rahman, Muhammad Rizwanur Shen, Li Ewen, James P. Dini, Daniele Smith, E. R. Langmuir [Image: see text] The evolution of the liquid–vapor interface of a Lennard-Jones fluid is examined with molecular dynamics simulations using the intrinsic sampling method. Results suggest clear damping of the intrinsic profiles with increasing temperature. Investigating the surface stress distribution, we have identified a linear variation of the space-filling nature (fractal dimension) of the stress clusters at the intrinsic surface with increasing surface tension or, equivalently, with decreasing temperature. A percolation analysis of these stress networks indicates that the stress field is more disjointed at higher temperatures. This leads to more fragile (or poorly connected) interfaces which result in a reduction in surface tension. American Chemical Society 2022-04-06 2022-04-19 /pmc/articles/PMC9022435/ /pubmed/35385282 http://dx.doi.org/10.1021/acs.langmuir.2c00201 Text en © 2022 American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Rahman, Muhammad Rizwanur Shen, Li Ewen, James P. Dini, Daniele Smith, E. R. The Intrinsic Fragility of the Liquid–Vapor Interface: A Stress Network Perspective |
title | The Intrinsic Fragility of the Liquid–Vapor
Interface: A Stress Network Perspective |
title_full | The Intrinsic Fragility of the Liquid–Vapor
Interface: A Stress Network Perspective |
title_fullStr | The Intrinsic Fragility of the Liquid–Vapor
Interface: A Stress Network Perspective |
title_full_unstemmed | The Intrinsic Fragility of the Liquid–Vapor
Interface: A Stress Network Perspective |
title_short | The Intrinsic Fragility of the Liquid–Vapor
Interface: A Stress Network Perspective |
title_sort | intrinsic fragility of the liquid–vapor
interface: a stress network perspective |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9022435/ https://www.ncbi.nlm.nih.gov/pubmed/35385282 http://dx.doi.org/10.1021/acs.langmuir.2c00201 |
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