| 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 | |
| Source Publication | MATERIALS TODAY COMMUNICATIONS
 |
| 2023-06-01 | |
| Volume | 35Pages:106132 |
| Abstract | 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. |
| Keyword | Montmorillonite Molecular dynamic Water content Mechanical anisotropy Compressive mechanical properties |
| DOI | 10.1016/j.mtcomm.2023.106132 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:001042119200001 |
| WOS Research Area | Materials Science |
| WOS Subject | Materials Science, Multidisciplinary |
| Funding Organization | 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 |
| Classification | 二类 |
| Ranking | 1 |
| Contributor | Han, ZF (corresponding author), Chinese Acad Sci, Inst Mech, Key Lab Mech Fluid Solid Coupling Syst, Beijing 100190, Peoples R China. |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/92549 |
| Collection | 流固耦合系统力学重点实验室 |
| Affiliation | 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 |
| Recommended Citation 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.Rp_Au:Han, ZF (corresponding author), Chinese Acad Sci, Inst Mech, Key Lab Mech Fluid Solid Coupling Syst, Beijing 100190, Peoples R China. |
| 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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| Jp2023Fa219.pdf（5519KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Download | |
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