The effect of ballistic cascades on the aqueous corrosion of sodium borosilicate glass is investigated by conducting massive molecular dynamics simulations. The simulations disclose BO₄ to BO₃ structural transition and a shift in Na⁺ roles from charge compensators to network modifiers. Irradiated glass exhibited higher disorder, with a rise of 4.87% and 35% in total and configurational entropy, respectively. The sharpening of the Q⁴ band and increased BO₃ content reveal heterogeneity of the glass, supported by creation of more small-sized rings. Radiation led to a 2% density rise, 8.66% drop in Young’s modulus, 5.8% decrease in Tg, and 17.7% higher leach rates. VDOS displays red-shifts in Na modes and altered B–O modes for irradiated glasses. Overlapping structural profiles below 10 keV PKA suggest feasible structural recovery at low recoil energies. Results demonstrate the long-term stability of the glass despite moderate degradation and support use in nuclear waste immobilization.
Sahu et al. (Thu,) studied this question.