Thermodynamic Database and the Phase Diagrams of the (U, Th, Pu)-X Binary Systems
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Thermodynamic Database and the Phase Diagrams of the (U, Th, Pu)-X Binary Systems C.P. Wang, Z.S. Li, W. Fang, and X.J. Liu
(Submitted April 3, 2009; in revised form May 11, 2009) A thermodynamic database for nuclear materials, including U-Th, U-Pu, Th-Pu, and (U, Th, Pu)-X (X = Al, Co, Cr, Cu, Fe, Ga, Mg, Mn, Mo, Nb, Ni, Si, Ta, W, Zr) binary system has been developed by the Calculation of Phase Diagrams (CALPHAD) method. Thermodynamic parameters describing Gibbs free energies of different phases have been evaluated by optimizing experimental data on phase equilibria and thermodynamic properties. The present thermodynamic database can provide much-needed information such as stable and metastable phase equilibria, phase fractions, and various thermodynamic quantities that is important to the design of nuclear materials. This database is also an essential starting point to construct thermodynamic databases for the multicomponent systems.
Keywords
nuclear reactor materials, phase diagrams, thermodynamic modeling, thermodynamic properties
1. Introduction With ever increasing global demands for energy and rapid depletion of fossil fuel, nuclear energy will become an important part of the global energy portfolio.[1] To achieve nuclear energy’s full potential, new nuclear materials need to be developed for new generations of reactors. The use of uranium (U), thorium (Th), and plutonium (Pu) in the production of nuclear energy has given considerable impetus to the investigation of nuclear materials in recent decades. The investigations of the U, Th, and Pu base alloys focus not only on the U, Th, and Pu compounds used in the fuels, but also on the structural materials and fission products of the U, Th, and Pu base alloys.[2-4] In order to develop nuclear materials with better performance, a thermodynamic database of the U, Th, and Pu alloys for reliable predictions of liquidus, phase fraction, equilibrium,
This article is an invited paper selected from participants of the 14th National Conference and Multilateral Symposium on Phase Diagrams and Materials Design in honor of Prof. Zhanpeng Jin’s 70th birthday, held November 3-5, 2008, in Changsha, China. The conference was organized by the Phase Diagrams Committee of the Chinese Physical Society with Drs. Huashan Liu and Libin Liu as the key organizers. Publication in Journal of Phase Equilibria and Diffusion was organized by J.-C. Zhao, The Ohio State University; Yong Du, Central South University; and Qing Chen, Thermo-Calc Software AB. C.P. Wang, Z.S. Li, W. Fang, and X.J. Liu, Department of Materials Science and Engineering, College of Materials, Xiamen University, Xiamen 361005, P.R. China and Research Center of Materials Design and Applications, Xiamen University, Xiamen 361005, P.R. China. Contact e-mail: [email protected].
and nonequilibrium solidification behavior in multicomponent system is highly desirable. The objective of the present study is to develop a thermodynamic database for the phase diagrams of the U, Th, and Pu containing systems including (U, Th, Pu)-X
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