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Title: The Intrinsic Fragility of the Liquid-Vapor Interface: A Stress Network Perspective
Authors: Rahman, MR
Shen, L
Ewen, JP
Dini, D
Smith, ER
Issue Date: 6-Apr-2022
Publisher: ACS Publications
Citation: Rahman, M.R. et al. (2022) 'The Intrinsic Fragility of the Liquid-Vapor Interface: A Stress Network Perspective', Langmuir, 38 (15), pp. 4669 - 4679. doi: 10.1021/acs.langmuir.2c00201.
Abstract: Copyright . 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.
Description: Supporting Information is available online at .
ISSN: 0743-7463
Appears in Collections:Dept of Mechanical and Aerospace Engineering Research Papers

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