Experimental and Modeling Review of the Plutonium-Zirconium (Pu-Zr) System: Lost in Translation and Over Time?
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Experimental and Modeling Review of the Plutonium-Zirconium (Pu-Zr) System: Lost in Translation and Over Time? Aure´lien Perron1 • Patrice E. A. Turchi1
Submitted: 12 August 2020 / Accepted: 30 September 2020 Ó ASM International 2020
Abstract This article presents a review of the phase equilibria of the Pu-Zr system and discusses the contradictory reports on the experimental phase diagram and misinterpretations that have led to confusion over time. In addition, a review of the few Pu-Zr CALculation of PHAse Diagrams (CALPHAD) assessments is presented with emphasis on the heat of formation of the bcc phase, highlighting a disagreement between CALPHAD and ab initio calculations. Based on the information gathered in this study, a critical re-assessment of the Pu-Zr system involving the f (Pu28Zr), h (Pu4Zr), kinetically hindered j (PuZr2), and once observed i phases is called for. Keywords actinides assessment CALPHAD phase diagram plutonium-zirconium review
This article is an invited paper selected from presentations at ‘‘PSDK XIV: Phase Stability and Diffusion Kinetics—Gibbs: Phase Equilibria, Diffusion and Materials Design’’ held during MS&T’19, September 29–October 3, 2019, in Portland, Oregon. The special sessions were dedicated to honor Dr. Patrice Turchi, recipient of the ASM International 2019 J. Willard Gibbs Phase Equilibria Award ‘‘for outstanding and pioneering contributions in the application of first-principles, quantum–mechanical calculations to the modeling of phase equilibria and thermodynamic behavior of alloys.’’ It has been expanded from its original presentation. & Aure´lien Perron [email protected] 1
Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, CA 94550
1 Introduction Metallic fuels have many advantages over ceramic fuels because of their high density, high linear and specific power, high breeding ratios, higher thermal conductivity, reduced fabrication costs due to larger diameter fuel elements, and easy fabricability.[1] However, as mentioned in a recent review,[2] understanding phases and phase relationships in advanced metallic nuclear fuels based on the ternary U-Pu-Zr system (e.g. U-20Pu-10Zr, wt%) is of vital importance for predicting their properties and behavior (e.g. fuel constituent redistribution, swelling, fission gas release, etc.). To be able to grasp and predict the fuel behavior at various composition and temperature ranges, a critical evaluation of the available thermodynamic and phase diagram data, and CALPHAD assessments of the constitutive Pu-Zr system is crucial. First, this work aims at presenting the Pu-Zr phase diagram journey by discussing the contradictory reports on the experimental phase equilibria and misinterpretations that have led to confusion over time. Finally, a review of the few Pu-Zr CALPHAD assessments, essentials as constitutive element for CALPHAD predictions (phase stability of ternary and higherorder systems) and input (bulk Gibbs energy) for microstructure evolution modeling (i.e., phase field), is presented.
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