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Meeting MS&T21: Materials Science & Technology
Symposium Progressive Solutions to Improve Corrosion Resistance for Nuclear Waste Storage
Presentation Title Understanding Corrosion of Nuclear Waste Glasses through Molecular Dynamics Simulations and Quantitative Structural Property Relationship Analysis
Author(s) Jincheng Du
On-Site Speaker (Planned) Jincheng Du
Abstract Scope Glass is a well-accepted nuclear waste form and the its long-term durability is one of the most important material characteristics to ensure safe disposal and prevention the release of radioactive elements to the environment. Detailed understanding of the glass structure and glass-water reaction mechanisms is required to accurately predict the chemical durability. In this talk, I will present applications of molecular dynamic simulations of complex borosilicate nuclear waste glasses and validation of the structural models with experimental characterizations. Quantitative Structural Property Relationship (QSPR) analysis is used as a valuable means to find correlations of the such as initial dissolution rate and other properties with its structural descriptor obtained from structural models from MD simulations. By testing in a wide range of borosilicate glasses with different corrosion rates, the results show that QSPR is a promising approach to predict the corrosion rate and other glass properties of nuclear waste glasses.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Geopolymer for Hanford Secondary Waste
Introductory Comments
Neutron Microscope Based on Wolter Optics for Imaging Hydrogen Distribution in Glass
Particulars of Crystallization of Glass-ceramics for Nuclear Waste Storage
Predicting Zeolites’ Stability during the Corrosion of Nuclear Waste Immobilization Glasses
Understanding Corrosion of Nuclear Waste Glasses through Molecular Dynamics Simulations and Quantitative Structural Property Relationship Analysis
Using Stress Modelling to Understand Effects of Pit Morphology on Stress Corrosion Cracking Initiation in Austenitic Stainless Steels

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