Tensile and compressive behavior of Na-, K-, Ca-Montmorillonite and temperature effects

Zhao, H. Y.; Cui, Hanwen; Jiang, Shuhan; Awadalseed, Waleed; Guo, J.; Yang, Wei; Kang, Xin

doi:10.1016/j.chemphys.2023.111855

Cited by 7 publications

(1 citation statement)

References 29 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…To date, a variety of force fields that can be applied to clays have been developed, including ClayFF, InterfaceFF, ReaxFF, etc . On the nanoscale, the mechanical parameters of montmorillonite and stacks at different water contents and temperatures and with different interlayer cation types were evaluated by tensile, compressive, and shear tests. − The presence of a gas such as carbon dioxide or methane can also influence the adsorption processes and mechanical properties of montmorillonite systems. , At the aggregate level, dynamic microstructure evolution of clay systems in various physicochemical environments has been explored by large-scale MD simulations. , In view of the complex structures of montmorillonite, speculating about the mechanical behaviors of clay aggregates will be extremely challenging. − …”

Section: Introductionmentioning

confidence: 99%

Microscale Normal Compression Behaviors of Clay Aggregates: A Coarse-Grained Molecular Dynamics Study

Tong,

Yu,

Wang

et al. 2024

Langmuir

View full text Add to dashboard Cite

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.

show abstract