Microscale Normal Compression Behaviors of Clay Aggregates: A Coarse-Grained Molecular Dynamics Study
文献类型：期刊论文
| 作者 | Tong, Kai-wen1,2,3; Yu, Fei1; Wang, Hao2; Huang, Kang1,3; Dai, Zhang-jun1; Chen, Shan-xiong1 |
| 刊名 | LANGMUIR
 |
| 出版日期 | 2024-07-18 |
| 卷号 | 40期号:30页码:15633-15649 |
| ISSN号 | 0743-7463 |
| DOI | 10.1021/acs.langmuir.4c01373 |
| 英文摘要 | Given the limitations of micromechanical experiments and molecular dynamics simulations, the normal compression process of clay aggregates was simulated under different vertical pressures (P), numbers of particles, loading methods, and environments by a Gay-Berne potential model. On the basis of the variations of particle orientation and the distribution of stacks, the evolution of deformation and stresses was elucidated. The results showed that the effects of the pressure level and loading environment on the deformation were significant. In the range of 0.1-10 MPa, the changes in the void ratio were essentially the evolution of the distribution of stacks determined by attractive short-range van der Waals interactions. The deformation under constant pressure was larger than that under step loading. Because the interactions between clay particles were mainly controlled by mechanical force when in the range of 40-100 MPa, the void ratios under various loading conditions were consistent. It was also found that changes in three-dimensional stresses during compression were dependent on those of the distribution of stacks. In the vacuum environment, owing to the lateral movement of interlocked small stacks, the horizontal stress decreased. The lateral pressure coefficients (k) were greater in an atmospheric environment because the anisotropic particle orientation was relatively less obvious. In the range of 10-100 MPa, when the loading path became longer, k was similar in vacuum but became smaller in an atmosphere. If the initial loading pressure was increased, the number of large stacks sharply increased and the anisotropy was significant in a vacuum environment, which was less prone to lateral expansion. In contrast, more consistent particle arrangements were maintained in an atmosphere. This work will be conducive to explaining experimental observations of long-term ripening. |
| 资助项目 | National Natural Science Foundation of China[42172308] ; Youth Innovation Promotion Association, CAS[2022331] ; China Scholarship Council (CSC)[202204910451] |
| WOS研究方向 | Chemistry ; Materials Science |
| 语种 | 英语 |
| WOS记录号 | WOS:001272787700001 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://119.78.100.198/handle/2S6PX9GI/41970]  |
| 专题 | 中科院武汉岩土力学所 |
| 通讯作者 | Yu, Fei |
| 作者单位 | 1.Chinese Acad Sci, Inst Rock & Soil Mech, State Key Lab Geomech & Geotech Engn, Wuhan 430071, Peoples R China 2.Univ Gustave Eiffel, Ecole Ponts, CNRS, Navier, F-77420 Marne La Vallee, France 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China |
| 推荐引用方式 GB/T 7714 | Tong, Kai-wen,Yu, Fei,Wang, Hao,et al. Microscale Normal Compression Behaviors of Clay Aggregates: A Coarse-Grained Molecular Dynamics Study[J]. LANGMUIR,2024,40(30):15633-15649. |
| APA | Tong, Kai-wen,Yu, Fei,Wang, Hao,Huang, Kang,Dai, Zhang-jun,&Chen, Shan-xiong.(2024).Microscale Normal Compression Behaviors of Clay Aggregates: A Coarse-Grained Molecular Dynamics Study.LANGMUIR,40(30),15633-15649. |
| MLA | Tong, Kai-wen,et al."Microscale Normal Compression Behaviors of Clay Aggregates: A Coarse-Grained Molecular Dynamics Study".LANGMUIR 40.30(2024):15633-15649. |
入库方式： OAI收割
来源：武汉岩土力学研究所
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