, Volume 68, Issue 11, pp 2900–2911 | Cite as

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

  • Asghar Aryanfar
  • John Thomas
  • Anton Van der Ven
  • Donghua Xu
  • Mostafa Youssef
  • Jing Yang
  • Bilge Yildiz
  • Jaime MarianEmail author


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.


Hydride Oxide Scale Vibrational Excitation Zirconium Alloy Oxide Layer Thickness 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.



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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Copyright information

© The Minerals, Metals & Materials Society 2016

Authors and Affiliations

  • Asghar Aryanfar
    • 1
  • John Thomas
    • 2
  • Anton Van der Ven
    • 2
  • Donghua Xu
    • 3
  • Mostafa Youssef
    • 4
  • Jing Yang
    • 4
  • Bilge Yildiz
    • 4
  • Jaime Marian
    • 1
    Email author
  1. 1.University of California, Los AngelesLos AngelesUSA
  2. 2.University of California, Santa BarbaraSanta BarbaraUSA
  3. 3.University of Tennessee-KnoxvilleKnoxvilleUSA
  4. 4.Massachussetts Institute of TechnologyCambridgeUSA

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