Thermodynamic non-ideality and disorder heterogeneity in actinide silicate solid solutions

نویسندگان

چکیده

Abstract Non-ideal thermodynamics of solid solutions can greatly impact materials degradation behavior. We have investigated an actinide silicate solution system (USiO 4 –ThSiO ), demonstrating that thermodynamic non-ideality follows a distinctive, atomic-scale disordering process, which is usually considered as random distribution. Neutron total scattering implemented by pair distribution function analysis confirmed model for U and Th in first three coordination shells; however, machine-learning algorithm suggested heterogeneous clusters at nanoscale (~2 nm). The local disorder nanosized example the mixing has electronic origin. Partial covalency from U/Th 5 f –O 2 p hybridization promotes electron transfer during leads to polyhedral distortions. origin accounts strong parameters extends stability field silicates nature under typical nuclear waste repository conditions.

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ژورنال

عنوان ژورنال: npj Materials degradation

سال: 2021

ISSN: ['2397-2106']

DOI: https://doi.org/10.1038/s41529-021-00179-0