Luis Ruiz Pestana

Mar 14, 2024 | nature.com | Meili Liu |Luis Ruiz Pestana

AbstractThe dissolution of silicate glasses has implications in diverse fields ranging from the immobilization of radioactive waste to the development of sustainable alternatives to Portland cement. Here, we used ab initio molecular dynamics simulations biased with well-tempered metadynamics to study Si-O-T bridge dissociation in calcium aluminosilicate glasses, crucial for understanding their dissolution.