Radioactive decay of $$\mathrm {{}^{90}Sr}$$ in cement: a non-equilibrium first-principles investigation

Abstract Cement is an inexpensive and relatively easily manageable material that used as a last barrier for nuclear waste disposal. Under these conditions, the cement in contact with low radiation doses, but there distinct possibility of being contaminated radioactive products. Of particular concern medium lived half-life product $$\mathrm {{}^{90}Sr}$$ 90 Sr (28.8 years) due to its ability replace Ca. undergoes $$\beta $$ β -decay {{}^{90}Y}$$ Y which, turn, -decays stable {{}^{90}Zr}$$ Zr . In this work, we discuss systematically chain non-equilibrium processes result consequence events cement. We first use density functional-based methods study consequences sudden increase charge from $$Z$$ Z $$Z+1$$ + 1 , possible induced ionization perturbation surrounding electronic charge. Secondly, molecular dynamics simulations recoil daughter nucleus. Finally, damage caused by cascade produced during propagation -electron resulting chemical structural perturbation. Graphic