Deformation and failure processes of Na-montmorillonite under uniaxial compressive strain condition via molecular dynamic method

doi:10.1016/j.mtcomm.2023.106132

IMECH-IR > 流固耦合系统力学重点实验室

	Deformation and failure processes of Na-montmorillonite under uniaxial compressive strain condition via molecular dynamic method
	Li, Dongbo ; Li, Guangzhou ; Bai, Zhentao ; Han ZF(韩宗芳); Lu, Wei
发表期刊	MATERIALS TODAY COMMUNICATIONS
	2023-06-01
卷号	35 页码:106132
摘要	It is crucial to understand the compressive mechanical properties of bentonite for nuclear waste burial engineering while existing theories and methods are difficult to predict the mechanical properties and failure mechanisms of hydrated montmorillonite in the small strain scope. The structural evolution and mechanical behavior of different hydrated montmorillonite under compressive strain had been investigated through molecular dynamics simulation. Results indicated that the characteristics of deformation and failure in three directions were as follows. Compression in the X-direction led to the bending of the clay mineral planes, and rapid crack nucleation causing brittle failure. Y-direction compression caused the orientation of the clay mineral to tilt, local chemical bonds broke and dislocations occurred. Z-direction deformation was characterized by interlaminar compression, then stacking of layers, disordered distribution of atoms, and finally the collapse of the structural system. The mechanical properties of montmorillonite had a strong dependence on water content. There was a negative correlation between the ultimate compressive strength, Young's modulus, and water content in the X- and Y-directions. Meanwhile the bilayer hydrated state had a higher ultimate compressive strength than the other two ones in the Z-direction.
关键词	Montmorillonite Molecular dynamic Water content Mechanical anisotropy Compressive mechanical properties
DOI	10.1016/j.mtcomm.2023.106132
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:001042119200001
WOS研究方向	Materials Science
WOS类目	Materials Science, Multidisciplinary
项目资助者	General program of the National Natural Science Foundation of China [51878547] ; National Natural Science Foundation of China Youth Science Fund [52008332] ; China Postdoctoral Fund Regional Special Support Program [2021M693877] ; Guangdong Aerospace Research Academy Research Project [GARA2022003000] ; Qian Xuesen Laboratory, China Academy of Space Technology [TKTSPY-2020-05-01] ; Experiments for Space Exploration Program
论文分区	二类
力学所作者排名	1
RpAuthor	Han, ZF (corresponding author), Chinese Acad Sci, Inst Mech, Key Lab Mech Fluid Solid Coupling Syst, Beijing 100190, Peoples R China.
引用统计
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/92549
专题	流固耦合系统力学重点实验室
作者单位	1.{Li, Dongbo, Li, Guangzhou, Bai, Zhentao, Lu, Wei} Xian Univ Architecture & Technol, Sch Sci, Xian 710055, Peoples R China 2.{Han, Zongfang} Chinese Acad Sci, Inst Mech, Key Lab Mech Fluid Solid Coupling Syst, Beijing 100190, Peoples R China 3.{Han, Zongfang} Guangdong Aerosp Res Acad, Shenzhen 511400, Guangdong, Peoples R China
推荐引用方式 GB/T 7714	Li, Dongbo,Li, Guangzhou,Bai, Zhentao,et al. Deformation and failure processes of Na-montmorillonite under uniaxial compressive strain condition via molecular dynamic method[J]. MATERIALS TODAY COMMUNICATIONS,2023,35:106132.
APA	Li, Dongbo,Li, Guangzhou,Bai, Zhentao,韩宗芳,&Lu, Wei.(2023).Deformation and failure processes of Na-montmorillonite under uniaxial compressive strain condition via molecular dynamic method.MATERIALS TODAY COMMUNICATIONS,35,106132.
MLA	Li, Dongbo,et al."Deformation and failure processes of Na-montmorillonite under uniaxial compressive strain condition via molecular dynamic method".MATERIALS TODAY COMMUNICATIONS 35(2023):106132.

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