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Predicting initial dissolution rates using structural featuresfrom molecular dynamics simulations (open access)

Predicting initial dissolution rates using structural featuresfrom molecular dynamics simulations

Article states that predicting the chemical durability of glass materials is important for various applications from daily life such as cell phone screens and kitchenware to advanced technologies such as nuclear waste disposal and biomedicine. In this work, we explored the prediction of the initial glass dissolution rates using structural features from molecular dynamics (MD) simulations for a series of glass compositions (total 28), including ZrO2- and V2O5-containing boroaluminosilicate, borosilicate, and aluminosilicate glasses.
Date: October 17, 2022
Creator: Lu, Xiaonan; Deng, Lu; Gin, Stéphane; Parruzot, Benjamin; Reiser, Joelle T.; Ryan, Joseph V. et al.
System: The UNT Digital Library