Thermodynamic assessment of the Fe–U, U–Zr and Fe–U–Zr systems

Density-functional study of bcc U–Mo, Np–Mo, Pu–Mo, and Am–Mo alloys

“…In our previous papers [1,[9][10][11] we performed detailed calculations of the heat of formation of bcc-based ( ) XZr (X = U, Np, Pu, Am) solid solutions, which can be used for further analysis of the constituent redistribution in the central zone of -U-Zr nuclear fuels. We found that theoretical heats of formation of the -U-Zr, -Np-Zr, and -Pu-Zr alloys are in a good agreement with data derived from a CALPHAD assessment [12][13][14] of the experimental thermodynamics and phase diagram information for these systems, although we could not perform a similar assessment in the case of the Am-Zr system due to the total lack of experimental thermodynamics data and absence of the phase diagram.…”

Ab Initio Enhanced calphad Modeling of Actinide-Rich Nuclear Fuels

“…U-Zr alloy therefore should have similar strength of correlations as U metal. Table 5, and the models used in different assessments [76][77][78][79][80][81] are given in Table 6. [82,[85][86][87][88][89][90][91][92][93][94] and thermodynamic descriptions [77,79], (b) and (c) are magnified parts of (a).…”

“…It should be noted that since the thermodynamic assessments performed by Ogawa et al [80] and Leibowitz et al 1989 [81] were not based on the lattice stability by SGTE [33], they are not considered in the present discussion for comparison. To keep the comparison tractable, only the most updated version of the thermodynamic modeling performed by Chevalier et al [79] and Kurata [77] (but not their earlier versions [76,78]) are considered for comparison. However, one should also notice that in the work by Chevalier et al [79], the thermodynamic description of the tetragonal (Zr) as the unstable structure is described differently than in the SGTE database [33].…”

Thermodynamic Database and the Phase Diagrams of the (U, Th, Pu)-X Binary Systems

“…Li et al [11] Kurata [12] Wang et al [13] Wang et al [13] Y Y Kurata et al [20] Wang et al [16] Y L i u et al [17] Y L i u et al [17] F F F Wang et al [16] Kurata [12] Th AEAEAE AEAEAE Y Y Wang et al [14] Y Y Wang et al [14] F Y Y Wang et al [18] Y Y Y F Y L ieta l . [11] Pu AEAEAE AEAEAE AEAEAE Turchi et al [19] F Y Wang et al [15] Kurata et al [21] Turchi et al [19] Wang et al [15] Y [12] Binary systems of the (U, Th, Pu)-X alloy database.…”