A diffuse-interface model simultaneously simulates sodium electrode thickness changes and interfacial void growth and shrinkage in solid-state batteries, and shows grain boundary conductivity only weakly affects void evolution.
Impact of grain boundary and surface diffusion on predicted fission gas bubble behavior and release in UO$_2$ fuel
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abstract
In this work, we quantify the impact of grain boundary (GB) and surface diffusion on fission gas bubble evolution and fission gas release in UO$_2$ nuclear fuel using simulations with a hybrid phase field/cluster dynamics model. We begin with a comprehensive literature review of uranium vacancy and xenon atom diffusivity in UO$_2$ through the bulk, along GBs, and along surfaces. In our model we represent fast GB and surface diffusion using a heterogeneous diffusivity that is a function of the order parameters that represent bubbles and grains. We find that the GB diffusivity directly impacts the rate of gas release via GB transport, and that the GB diffusivity is likely below 10$^4$ times the lower value from Olander and van Uffelen (2001). We also find that the surface diffusivity impacts bubble coalescence and mobility, and that the bubble surface diffusivity is likely below $10^{-4}$ times the value from Zhou and Olander (1984).
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cond-mat.mtrl-sci 1years
2024 1verdicts
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A diffuse-interface model for predicting the evolution of metallic negative electrodes and interfacial voids in solid-state batteries with homogeneous and polycrystalline solid electrolyte separators
A diffuse-interface model simultaneously simulates sodium electrode thickness changes and interfacial void growth and shrinkage in solid-state batteries, and shows grain boundary conductivity only weakly affects void evolution.