Figure 4
Calculated profiles of lattice parameters. (a) Calculated profiles of lattice lengths starting from the HP-tridymite structure. (b) Calculated profiles of lattice lengths starting from the MX1-tridymite structure. (c) Calculated profiles of lattice angles starting from the MX1-tridymite structure. Each profile corresponds to that during either heating or cooling. Conjectured structural types appearing during the simulation are indicated, accompanied by arrows. |