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Open Access

Peer-reviewed

Research Article

Study on hydration characteristics and micromechanical properties of illite based on molecular dynamics

Mian Li,

Roles Funding acquisition, Writing – review & editing

Affiliations Chongqing Vocational Institute of Safety Technology, Chongqing City, China, Chongqing Sanxia University of Science and Technology, Chongqing City, China
⨯
Zhangping Yan ,

Roles Data curation, Writing – original draft

* E-mail: zhangpingyan99@126.com

Affiliation Chongqing Sanxia University of Science and Technology, Chongqing City, China

https://orcid.org/0009-0006-8623-1492

⨯
Yang Xu,

Roles Formal analysis, Software, Visualization

Affiliation Chongqing Vocational Institute of Safety Technology, Chongqing City, China
⨯
Qiuqi Chen,

Roles Software

Affiliation Chongqing Sanxia University of Science and Technology, Chongqing City, China
⨯
Yuhang Zhou,

Roles Investigation

Affiliation Chongqing Sanxia University of Science and Technology, Chongqing City, China
⨯
Xin Tang

Roles Data curation, Writing – review & editing

Affiliations Chongqing Sanxia University of Science and Technology, Chongqing City, China, China University of Mining and Technology, Jiangsu City, China
⨯

Study on hydration characteristics and micromechanical properties of illite based on molecular dynamics

Mian Li,
Zhangping Yan,
Yang Xu,
Qiuqi Chen,
Yuhang Zhou,
Xin Tang

x

Published: May 12, 2026
https://doi.org/10.1371/journal.pone.0346820

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Molecular dynamics
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Clay mineralogy
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Mechanical properties
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Crystal structure
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Molecular structure
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Oxygen
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Hydrogen
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