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

英文篇名：Deformation and failure processes of kaolinite under tension:Insights from molecular dynamics simulations
作者：Hua ; Yang ; ManChao ; He ; ChunSheng ; Lu ; WeiLi ; Gong
英文作者：Hua Yang;ManChao He;ChunSheng Lu;WeiLi Gong;State Key Laboratory for Geomechanics and Deep Underground Engineering, China University of Mining and Technology;Department of Mechanical Engineering, Curtin University;
英文关键词：kaolinite;;micromechanics;;deformation;;fracture;;molecular dynamics
中文刊名：JGXG
英文刊名：中国科学:物理学力学天文学(英文版)
机构：State Key Laboratory for Geomechanics and Deep Underground Engineering, China University of Mining and Technology;Department of Mechanical Engineering, Curtin University;
出版日期：2019-01-09 15:03
出版单位：Science China(Physics,Mechanics & Astronomy)
年：2019
期：v.62
基金：supported by the National Key Research and Development Program of China(Grant No.2016YFC0600901);; the Open Fund of State Key Laboratory for GeoMechanics and Deep Underground Engineering,China University of Mining&Technology(Beijing)(Grant No.SKLGDUEK1516)
语种：英文;
页：JGXG201906007
页数：9
CN：06
ISSN：11-5849/N
分类号：55-63

摘要

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.
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.

引文

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