Figure 3
(a) The density evolution of pure minerals as a function of accumulated radiation dosage. The density of quartz is somewhat underestimated due to the choice of interatomic potential used in the MD-simulations50 and (b) The evolution of nc, in α-quartz and calcite as a function of accumulated radiation dosage. Calcite when exposed to 600 eV incident radiation remains unaffected. However, a higher incident energy of 1000 eV is noted to induce changes in density. Density changes are provoked by rotations and distortions of the CO32− groups with respect to the Ca-atom positions, post-irradiation. Unless stated otherwise, an incident energy of 600 eV is simulated.
