Mechanical damage and failure mechanisms of chlorite by molecular dynamics
Chlorite schist, a layered soft rock with low strength and significant water-induced softening, poses challenges for deeply buried underground projects due to large deformations and collapse during excavation. To address the limited understanding of its deformation and failure mechanisms, especially...
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Elsevier
2025-03-01
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| Series: | Results in Engineering |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2590123024021418 |
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| author | Li Liu Xinlong Li Runqing Zhang Ran Ji Wenhao He Huaizhong Shi Zhongwei Huang Yongxin Li Gaojian Fan Songqing Zhao |
| author_facet | Li Liu Xinlong Li Runqing Zhang Ran Ji Wenhao He Huaizhong Shi Zhongwei Huang Yongxin Li Gaojian Fan Songqing Zhao |
| author_sort | Li Liu |
| collection | DOAJ |
| description | Chlorite schist, a layered soft rock with low strength and significant water-induced softening, poses challenges for deeply buried underground projects due to large deformations and collapse during excavation. To address the limited understanding of its deformation and failure mechanisms, especially at the microscopic level, this study employs molecular dynamics simulations to analyze the mechanical strength and deformation behavior of chlorite under varying loads and high-temperature conditions. Results reveal that chlorite exhibits anisotropy, with lower strength perpendicular to its molecular layers and higher resistance to compression compared to tension. Mechanical properties, including Young's modulus, shear modulus, and ultimate strength, decrease with increasing temperature. Failure mechanisms are dominated by the collapse and bending of clay mineral layers, influenced by loading paths and directions. Energy dissipation occurs through atomic pair positional changes, with van der Waals and Coulomb energies displaying opposite trends during tensile and compressive deformation. This study investigates the mechanical properties and deformation-failure mechanisms of the clay mineral chlorite, providing a theoretical foundation for further research on the large deformation and collapse of soft rock tunnels induced by temperature-fluid-mechanical coupling effects. |
| format | Article |
| id | doaj-art-93f55fe99f7a400a9f15e06ec7fc7b11 |
| institution | Kabale University |
| issn | 2590-1230 |
| language | English |
| publishDate | 2025-03-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Results in Engineering |
| spelling | doaj-art-93f55fe99f7a400a9f15e06ec7fc7b112025-01-15T04:11:49ZengElsevierResults in Engineering2590-12302025-03-0125103898Mechanical damage and failure mechanisms of chlorite by molecular dynamicsLi Liu0Xinlong Li1Runqing Zhang2Ran Ji3Wenhao He4Huaizhong Shi5Zhongwei Huang6Yongxin Li7Gaojian Fan8Songqing Zhao9Beijing Key Laboratory of Optical Detection Technology for Oil and Gas, China University of Petroleum-Beijing, Beijing 102249, PR China; Basic Research center for Energy Interdisciplinary, College of Science, China University of Petroleum, Beijing 102249, PR ChinaBeijing Key Laboratory of Optical Detection Technology for Oil and Gas, China University of Petroleum-Beijing, Beijing 102249, PR China; Basic Research center for Energy Interdisciplinary, College of Science, China University of Petroleum, Beijing 102249, PR ChinaBeijing Key Laboratory of Optical Detection Technology for Oil and Gas, China University of Petroleum-Beijing, Beijing 102249, PR China; Basic Research center for Energy Interdisciplinary, College of Science, China University of Petroleum, Beijing 102249, PR ChinaState Key Laboratory of Petroleum Resources and engineering, China University of Petroleum-Beijing, Beijing 102249, PR ChinaBeijing Key Laboratory of Optical Detection Technology for Oil and Gas, China University of Petroleum-Beijing, Beijing 102249, PR China; Basic Research center for Energy Interdisciplinary, College of Science, China University of Petroleum, Beijing 102249, PR China; Corresponding authors.State Key Laboratory of Petroleum Resources and engineering, China University of Petroleum-Beijing, Beijing 102249, PR China; Corresponding authors.State Key Laboratory of Petroleum Resources and engineering, China University of Petroleum-Beijing, Beijing 102249, PR ChinaBeijing Key Laboratory of Optical Detection Technology for Oil and Gas, China University of Petroleum-Beijing, Beijing 102249, PR China; Basic Research center for Energy Interdisciplinary, College of Science, China University of Petroleum, Beijing 102249, PR ChinaBeijing Key Laboratory of Optical Detection Technology for Oil and Gas, China University of Petroleum-Beijing, Beijing 102249, PR China; Basic Research center for Energy Interdisciplinary, College of Science, China University of Petroleum, Beijing 102249, PR ChinaChina University of Petroleum-Beijing at Karamay, Karamay 834000, PR China; Corresponding authors.Chlorite schist, a layered soft rock with low strength and significant water-induced softening, poses challenges for deeply buried underground projects due to large deformations and collapse during excavation. To address the limited understanding of its deformation and failure mechanisms, especially at the microscopic level, this study employs molecular dynamics simulations to analyze the mechanical strength and deformation behavior of chlorite under varying loads and high-temperature conditions. Results reveal that chlorite exhibits anisotropy, with lower strength perpendicular to its molecular layers and higher resistance to compression compared to tension. Mechanical properties, including Young's modulus, shear modulus, and ultimate strength, decrease with increasing temperature. Failure mechanisms are dominated by the collapse and bending of clay mineral layers, influenced by loading paths and directions. Energy dissipation occurs through atomic pair positional changes, with van der Waals and Coulomb energies displaying opposite trends during tensile and compressive deformation. This study investigates the mechanical properties and deformation-failure mechanisms of the clay mineral chlorite, providing a theoretical foundation for further research on the large deformation and collapse of soft rock tunnels induced by temperature-fluid-mechanical coupling effects.http://www.sciencedirect.com/science/article/pii/S2590123024021418ChloriteStrengthTemperatureMolecular simulationDamage mechanism |
| spellingShingle | Li Liu Xinlong Li Runqing Zhang Ran Ji Wenhao He Huaizhong Shi Zhongwei Huang Yongxin Li Gaojian Fan Songqing Zhao Mechanical damage and failure mechanisms of chlorite by molecular dynamics Results in Engineering Chlorite Strength Temperature Molecular simulation Damage mechanism |
| title | Mechanical damage and failure mechanisms of chlorite by molecular dynamics |
| title_full | Mechanical damage and failure mechanisms of chlorite by molecular dynamics |
| title_fullStr | Mechanical damage and failure mechanisms of chlorite by molecular dynamics |
| title_full_unstemmed | Mechanical damage and failure mechanisms of chlorite by molecular dynamics |
| title_short | Mechanical damage and failure mechanisms of chlorite by molecular dynamics |
| title_sort | mechanical damage and failure mechanisms of chlorite by molecular dynamics |
| topic | Chlorite Strength Temperature Molecular simulation Damage mechanism |
| url | http://www.sciencedirect.com/science/article/pii/S2590123024021418 |
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