[2C15-20] Migration/Sorption2

[2C17] Study for improvement in reliability of performance assessment of vitrified waste in geological disposal

(3)Elucidating the atomic structures of the gel layer formed during aluminoborosilicate glass dissolution: an integrated experimental and simulation study

*Takahro Ohkubo¹, Ryuta Matsubara² (1. Chiba university, 2. NUMO)

Keywords:nuclear waste glass, altered glass layer, molecular dynamics simulation

Altered glass surfaces resulting from the dissolution of nuclear waste glass are the most difficult materials to understand their structure at the atomic level due to their amorphous nature, pore structure with high fractal dimension, and various hydration levels. In this study, a combined experimental and computational approach was used to analyze the complex atomic structure of aluminoborosilicate alteration glasses. Structures with various voids were created by molecular dynamics with charge scaling method and compared with experimentally observed structure factors and solid-state NMR spectra to build precise structural analysis.