Investigation of the Orientation of δ Zirconium Hydrides Using Quantitative Phase Field Simulations Supported by Experiments

29 Pages Posted: 9 May 2019

See all articles by Pierre-Clement A. Simon

Pierre-Clement A. Simon

Pennsylvania State University - Department of Mechanical and Nuclear Engineering

Larry K. Aagesen

Idaho National Laboratory - Fuel Modeling and Simulation Department

Andrea M. Jokisaari

Idaho National Laboratory - Fuel Modeling and Simulation Department

Evrard Lacroix

Pennsylvania State University - Department of Mechanical and Nuclear Engineering

Arthur T. Motta

Pennsylvania State University - Department of Mechanical and Nuclear Engineering

Michael R. Tonks

University of Florida - Department of Materials Science and Engineering

Date Written: May 8, 2019

Abstract

Light water reactor fuel cladding integrity is sensitive to the morphology of zirconium hydride precipitates,which can vary depending on the thermomechanical history of the cladding. This study provides insights on the orientation and stacking of nanoscale δ hydrides in a single grain of α zirconium using results from a newly developed quantitative phase field model and experimental observations. The model is informed by CALPHAD free energies and incorporates misfit strains due to the volume difference between the two phases, hydrogen in solid solution in the matrix, and thermal expansion. Simulation results on the growth, orientation, and stacking of nanoscale hydrides are supported by SEM observations of recrystallized zirconium.The model accurately predicts the elongated growth of δ hydrides along the basal plane of the α zirconium. Moreover, nanoscale hydrides are observed to stack circumferentially into long mesoscale hydrides. The effect of applied stress on the microstructure is investigated to probe the experimentally observed hydride reorientation phenomenon. This model predicts that hydride reorientation cannot be explained by radial growth of nanoscale hydrides, nor by a change of the most favorable stacking configuration in a single grain, since the applied stress needed to observe these phenomena is significantly greater than experimentally observed.

Keywords: Microstructure Evolution, Zirconium Hydrides, Phase Field Modeling, Experimental Validation, Nuclear Materials

Suggested Citation

Simon, Pierre-Clement A. and Aagesen, Larry K. and Jokisaari, Andrea M. and Lacroix, Evrard and Motta, Arthur T. and Tonks, Michael R., Investigation of the Orientation of δ Zirconium Hydrides Using Quantitative Phase Field Simulations Supported by Experiments (May 8, 2019). Available at SSRN: https://ssrn.com/abstract=3384332

Pierre-Clement A. Simon (Contact Author)

Pennsylvania State University - Department of Mechanical and Nuclear Engineering ( email )

University Park
State College, PA 16802
United States

Larry K. Aagesen

Idaho National Laboratory - Fuel Modeling and Simulation Department

United States

Andrea M. Jokisaari

Idaho National Laboratory - Fuel Modeling and Simulation Department

United States

Evrard Lacroix

Pennsylvania State University - Department of Mechanical and Nuclear Engineering

University Park
State College, PA 16802
United States

Arthur T. Motta

Pennsylvania State University - Department of Mechanical and Nuclear Engineering ( email )

137 Reber Building
University Park, PA 16802
United States

Michael R. Tonks

University of Florida - Department of Materials Science and Engineering

United States

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