An evaluation of contact models for particle-scale simulation of clay

摘要: Geotechnical engineers are well aware that the particle surface chemistry and pore fluid composition can significantly influence mechanical behaviour of clay. Reference is often made to Derjaguin-Landau-Vervey-Overbeek (DLVO) theory, which enables electrochemical interactions between charged particles be estimated. Hitherto, absence an effective framework for particle-scale simulation clay has inhibited a direct link these (e.g. load:deformation response) or fabric (i.e. development disperse flocculated fabric). Ebrahimi [1] demonstrated viability using molecular dynamics simulations where grains simulated as ellipsoidal whose described by analytical expression called Gay-Berne (GB) potential. While promising when compared other approaches documented in literature, Ebrahimi's work considered only single mineralogy did not explicitly account composition. This paper considers use potential modelling from more general perspective. Calibration GB model parameters predict kaolinite reveals lack generality approach. The cannot simulate situations attractive repulsive co-exist, lead classical “cardhouse” fabric, case interacting via acidic fluid.