The friction behavior of widespread clay minerals is a major concern in many geo-engineering problems, such as the stability of soft soil foundations and the induction of seismic fault zones. The present work aimed to study the friction behaviors of kaolinite at the particle level using the molecular dynamics method. The effects of normal force (Fn), shear velocity (v), and interfacial water film on nanofriction were discussed. The “stick-slip” phenomenon and periodic evolution of friction forces (Ff) were observed in dry friction and became less pronounced with water lubrication. The dry Ff of kaolinite was found to be insensitive to Fn. However, wet Ff exhibited a linear increase with Fn and then transitioned to a non-linear relationship as slip displacement increases due to the continuous loss of water molecules from the interface during friction. Notably, at high loads (Fn ≥ 30 nN), the peak friction of wet kaolinite showed characteristics similar to dry friction. A velocity-strengthening behavior of kaolinite at high velocities was observed in both dry and wet conditions. The macroscale friction coefficients of kaolinite were predicted from nanofriction data and results showed good agreement with experimental values. This study lays the foundation for bridging micro- and macro-mechanical behaviors, suggesting a new pathway for acquiring precise macroscopic friction of minerals through cross-scale studies.
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