Atomic and micro-structure features of nanoporous aluminosilicate glasses from reactive molecular dynamics simulations (vol 104, pg 229, 2021)

Summary: The long-term chemical durability of borosilicate glasses is achieved through the formation of a porous aluminosilicate gel layer, which limits water transport and corrosion. Understanding the porous silicate gel layer is crucial for elucidating the corrosion mechanism of these glasses and designing new glass compositions. The use of charge scaling techniques is effective for generating porous structures with controllable pore morphologies. The porosities and pore size distributions of the porous structures are strongly correlated to processing temperature and local atomic structure.