Molecular Dynamics Simulation of the Mechanical Behavior of Mixed-Layer Clay upon Hydration

A proper understanding of the mechanical behavior clay minerals is crucial importance in earth sciences, soil mechanics, and geotechnical engineering. Although more than seventy percent all clays are mixed layer types, vast majority previous studies devoted to pure clays, which make hydraulic properties widespread mixed-layer (MLC) its role soils little understood, especially most common illite-montmorillonite (I-M) (MLC). This research reports on a molecular dynamics (MD) study differences between I-M MLC containing K+ Na+ Na-montmorillonite (Na-MMT). The variations key components stiffness matrix with hydration have been analyzed. It found that tensor two types could be split into groups: in-plane coefficients (C11, C12, C22, C66) out-of-plane (C13, C23, C33, C44, C55). Due different forms support force layered structure directions, they exhibit significantly mechanisms. Moreover, difficult hydrate swell due asymmetric interlayer existence K+, ability resist deformation stronger Na-MMT. work offers insight mechanism for initial swelling MLC. will help decipher specific controlling swelling.