Application of a thermal circuit model for the prediction of interfacial thermal resistance between water and a nanostructure surface using molecular dynamics simulations

Jiang, Zhiwen; Shibahara, Masahiko

International Journal of Thermal Sciences, 2025, 208, 109441

Number of Access:296（2025-08-28 20:32 Counts）

Identifier to cite or link to this item: https://hdl.handle.net/11094/98473

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Title
Application of a thermal circuit model for the prediction of interfacial thermal resistance between water and a nanostructure surface using molecular dynamics simulations
Creator
CreatorName
Jiang, Zhiwen
NRID
1000040294045 1000040294045
ORCID
0000-0002-9846-3569 0000-0002-9846-3569
researchmap permalink
read0051684 read0051684
Scopus Author ID
7005167142 7005167142
CreatorName
Shibahara, Masahiko
Subject
Interfacial thermal resistances
Non-equilibrium molecular dynamics simulation
Solid-liquid interface
Thermal circuit models
Description
Jiang Z., Shibahara M. Application of a thermal circuit model for the prediction of interfacial thermal resistance between water and a nanostructure surface using molecular dynamics simulations. International Journal of Thermal Sciences 208, 109441 (2025); https://doi.org/10.1016/j.ijthermalsci.2024.109441.
Abstract
The present study proposes various thermal circuit models (TCMs) to predict interfacial thermal resistances (ITRs) between water and a nanostructure surface. The effects of water models, nanopillar widths on nanostructure surfaces, and composite surfaces on the relationship between ITRs calculated by non-equilibrium molecular dynamics simulations and ITRs predicted by TCMs are investigated in water-copper and water-graphene-copper systems. The results reveal that the ITRs predicted by some TCMs are slightly affected by water pressure, while MD-calculated ITRs of the nanostructure surfaces in the Wenzel states agree with most of the predicted ITRs. Additionally, it is demonstrated that water molecules in the groove of a nanostructure surface play a crucial role in TCMs in the Cassie-Baxter states. Considering the effective contact region of water molecules in the groove in the Cassie-Baxter states, the use of TCMs can effectively reduce the prediction error of ITRs.
Publisher
Elsevier Masson SAS
Source Title
International Journal of Thermal Sciences
Volume (Issue)
208
Page
109441
Date of Issued
2025-02-01
Language
English
Handle URL
https://hdl.handle.net/11094/98473
PISSN
12900729
Relation.isVersionOf
DOI (Publisher Version)
https://doi.org/10.1016/j.ijthermalsci.2024.109441
Access Rights
embargoed access
CopyRight
© 2024. This manuscript version is made available under the CC-BY-NC-ND 4.0 license https://creativecommons.org/licenses/by-nc-nd/4.0/
The full-text file will be made open to the public on 1 February 2027 in accordance with the publisher's policy.
oaire:version
Accepted Manuscript
Category
学術雑誌論文 Journal Article