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Deformation and failure processes of kaolinite under tension: Insights from molecular dynamics simulations

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Abstract

As a primary constituent of soft rocks, kaolinite plays an important role in large deformations of underground structures, which usually leads to serious safety risks. This paper investigates the deformation and failure processes of kaolinite under tension using molecular dynamics simulations. Based on the atomistic scale of these deformation and failure processes and their stressstrain curves, Young’s moduli and strengths in three crystal directions and the surface energy of the (001) plane were obtained, which were consistent with theoretical predictions. The number of broken bonds and their corresponding broken sequences were determined. The results of our study indicated that as more bonds break during tension, the initiation of crack led to a sharp decrease in stress. We also explored the influence of temperature on the mechanical properties of kaolinite, which indicated that as temperature increased, the tensile strength and Young’s modulus decreased.

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Authors and Affiliations

  1. State Key Laboratory for Geomechanics and Deep Underground Engineering, China University of Mining and Technology, Beijing, 100083, China

    Hua Yang, ManChao He & WeiLi Gong

  2. Department of Mechanical Engineering, Curtin University, Perth, 6845, Australia

    ChunSheng Lu

Authors
  1. Hua Yang
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  2. ManChao He
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  3. ChunSheng Lu
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  4. WeiLi Gong
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Correspondence to ManChao He.

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Yang, H., He, M., Lu, C. et al. Deformation and failure processes of kaolinite under tension: Insights from molecular dynamics simulations. Sci. China Phys. Mech. Astron. 62, 64612 (2019). https://doi.org/10.1007/s11433-018-9316-3

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