Molecular Structural Transformation of 2:1 Clay Minerals by a Constant-Pressure Molecular Dynamics Simulation Method
Figure 9
Comparison of the volume-pressure relationships from the current MD study and the experimental study by Gatta et al. [14]. (a) interlayer spacing-versus-normal pressure relationship from the current MD study with cell shear distortion allowed. (b) Interlayer spacing-versus-normal pressure relationship from the current MD study with cell shear distortion prohibited. (c) K-polyhedron volume-versus-hydrostatic pressure relationship of a 3T-phengite mica by Gatta et al. [14].
