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Integrated Computational Modeling of Water Side Corrosion in Zirconium Metal Clad Under Nominal LWR Operating Conditions

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Abstract

A mesoscopic chemical reaction kinetics model to predict the formation of zirconium oxide and hydride accumulation light-water reactor (LWR) fuel clad is presented. The model is designed to include thermodynamic information from ab initio electronic structure methods as well as parametric information in terms of diffusion coefficients, thermal conductivities and reaction constants. In contrast to approaches where the experimentally observed time exponents are captured by the models by design, our approach is designed to be predictive and to provide an improved understanding of the corrosion process. We calculate the time evolution of the oxide/metal interface and evaluate the order of the chemical reactions that are conducive to a t 1/3 dependence. We also show calculations of hydrogen cluster accumulation as a function of temperature and depth using spatially dependent cluster dynamics. Strategies to further cohesively integrate the different elements of the model are provided.

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Acknowledgements

This research was supported by the Consortium for Advanced Simulation of Light Water Reactors (CASL), an Energy Innovation Hub for Modeling and Simulation of Nuclear Reactors under US Department of Energy Contract No. DE-AC05-00OR22725.

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Authors and Affiliations

  1. University of California, Los Angeles, Los Angeles, CA, USA

    Asghar Aryanfar & Jaime Marian

  2. University of California, Santa Barbara, Santa Barbara, CA, USA

    John Thomas & Anton Van der Ven

  3. University of Tennessee-Knoxville, Knoxville, TN, USA

    Donghua Xu

  4. Massachussetts Institute of Technology, Cambridge, MA, USA

    Mostafa Youssef, Jing Yang & Bilge Yildiz

Authors
  1. Asghar Aryanfar
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  2. John Thomas
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  3. Anton Van der Ven
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  4. Donghua Xu
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  5. Mostafa Youssef
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  6. Jing Yang
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  7. Bilge Yildiz
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  8. Jaime Marian
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Correspondence to Jaime Marian.

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Aryanfar, A., Thomas, J., Van der Ven, A. et al. Integrated Computational Modeling of Water Side Corrosion in Zirconium Metal Clad Under Nominal LWR Operating Conditions. JOM 68, 2900–2911 (2016). https://doi.org/10.1007/s11837-016-2129-1

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  • DOI: https://doi.org/10.1007/s11837-016-2129-1

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