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

    Access Status
    Fulltext not available
    Authors
    Yang, H.
    He, M.
    Lu, Chunsheng
    Gong, W.
    Date
    2019
    Type
    Journal Article
    
    Metadata
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    Citation
    Yang, H. and He, M. and Lu, C. and Gong, W. 2019. Deformation and failure processes of kaolinite under tension: Insights from molecular dynamics simulations. Science China: Physics, Mechanics and Astronomy. 62 (6): Article ID 64612.
    Source Title
    Science China: Physics, Mechanics and Astronomy
    DOI
    10.1007/s11433-018-9316-3
    ISSN
    1674-7348
    School
    School of Civil and Mechanical Engineering (CME)
    URI
    http://hdl.handle.net/20.500.11937/74850
    Collection
    • Curtin Research Publications
    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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