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DC Field | Value | Language |
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dc.contributor.author | Shi, K | - |
dc.contributor.author | Smith, ER | - |
dc.contributor.author | Santiso, EE | - |
dc.contributor.author | Gubbins, KE | - |
dc.date.accessioned | 2023-05-27T19:22:59Z | - |
dc.date.available | 2023-05-27T19:22:59Z | - |
dc.date.issued | 2023-01-28 | - |
dc.identifier | ORCID iDs: Kaihang Shi https://orcid.org/0000-0002-0297-1746; Edward R. Smith https://orcid.org/0000-0002-7434-5912; Erik E. Santiso https://orcid.org/0000-0003-1768-8414; Keith E. Gubbins https://orcid.org/0000-0003-0546-080X. | - |
dc.identifier | 040901 | - |
dc.identifier.citation | Shi, H. et al. (2023) 'A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges', Journal of Chemical Physics, 158 (4),, 040901pp. 1 - 32. doi: 10.1063/5.0132487. | en_US |
dc.identifier.issn | 0021-9606 | - |
dc.identifier.uri | https://bura.brunel.ac.uk/handle/2438/26550 | - |
dc.description | Data availability: The data that support the findings of this study are availablefrom the corresponding authors upon reasonable request. | en_US |
dc.description.abstract | Copyright . The pressure tensor (equivalent to the negative stress tensor) at both microscopic and macroscopic levels is fundamental to many aspects of engineering and science, including fluid dynamics, solid mechanics, biophysics, and thermodynamics. In this Perspective, we review methods to calculate the microscopic pressure tensor. Connections between different pressure forms for equilibrium and nonequilibrium systems are established. We also point out several challenges in the field, including the historical controversies over the definition of the microscopic pressure tensor; the difficulties with many-body and long-range potentials; the insufficiency of software and computational tools; and the lack of experimental routes to probe the pressure tensor at the nanoscale. Possible future directions are suggested. | en_US |
dc.description.sponsorship | E.S. acknowledges funding from the EPSRC Project No. EP/S019545/1 and is grateful to the UK Materials and Molecular Modeling Hub for computational resources, which is partially funded by EPSRC (Grant Nos. EP/P020194/1 and EP/T022213/1). K.E.G. thanks the U.S. National Science Foundation for partial support under Grant No. CBET-1603851. E.E.S. thanks the U.S. National Science Foundation for support under Grant No. CBET-1855465. | en_US |
dc.format.extent | 1 - 32 | - |
dc.format.medium | Print-Electronic | - |
dc.language | English | - |
dc.language.iso | en_US | en_US |
dc.publisher | AIP Publishing | en_US |
dc.rights | Copyright © 2023 Authors. Published under an exclusive license by AIP Publishing. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in [citation of article] and may be found at https://doi.org/10.1063/5.0132487 (see: https://publishing.aip.org/resources/researchers/rights-and-permissions/sharing-content-online/. Please direct any questions to the Rights Office at rights@aip.org.). | - |
dc.rights.uri | https://publishing.aip.org/resources/researchers/rights-and-permissions/sharing-content-online/ | - |
dc.subject | molecular simulations | en_US |
dc.subject | molecular dynamics | en_US |
dc.subject | Cauchy stress tensor | en_US |
dc.subject | stress function | en_US |
dc.subject | thermodynamics | en_US |
dc.subject | tensor formalism | en_US |
dc.subject | disjoining pressure | en_US |
dc.subject | statistical mechanics | en_US |
dc.subject | nonequilibrium statistical mechanics | en_US |
dc.title | A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges | en_US |
dc.type | Article | en_US |
dc.identifier.doi | https://doi.org/10.1063/5.0132487 | - |
dc.relation.isPartOf | Journal of Chemical Physics | - |
pubs.issue | 4 | - |
pubs.publication-status | Published | - |
pubs.volume | 158 | - |
dc.identifier.eissn | 1089-7690 | - |
dc.rights.holder | Authors | - |
Appears in Collections: | Dept of Mechanical and Aerospace Engineering Embargoed Research Papers |
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File | Description | Size | Format | |
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FullText.pdf | Embargoed until 28 January 2024. Article is free to use online at AIP Publishing: https://doi.org/10.1063/5.0132487 | 12.06 MB | Adobe PDF | View/Open |
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