Research Article

Molecular Structural Transformation of 2:1 Clay Minerals by a Constant-Pressure Molecular Dynamics Simulation Method

Figure 6

Relaxation behavior of the same dehydrated mica predicted by the static method. Only the cell size change is allowed. (a) Evolution of the average unbalanced forces per atom. (b) Evolution of the maximum unbalanced atomic forces in the system. (c) Evolution of the atomic level internal stress tensor. (d) Evolution of the simulation cell tensor indicating cell size changes.
795174.fig.006a
(a)
795174.fig.006b
(b)
795174.fig.006c
(c)
795174.fig.006d
(d)