Heat capacities of uranium-zirconium alloys from 300 to 1100 K

Ab Initio Enhanced calphad Modeling of Actinide-Rich Nuclear Fuels

“…According to the comparison made in Fig. 14, the present CALPHAD assessment agrees well with the experimental data reported by Takahashi et al [94] and Matsui et al [93]. Regarding the previous modeling, the one performed by Chevalier et al [79] can only describe well the low-temperature range, roughly below 900 K, while the model by Kurata [77] is better in the description for the relatively high-temperature range, i.e., roughly above 900 K. Based on the comparison for pure U and Zr between the SGTE database and the experimental data by Fedorov and Smirnov [103] given in Figs.…”

“…Only the occupied part between -4. [82,[85][86][87][88][89][90][91][92][93][94] and thermodynamic descriptions [77,79], (b) and (c) are magnified parts of (a). ........... 36 Figure 14.…”

“…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).…”

“…Comparison of heat capacity of the U-Zr alloys between CALPHAD modelprediction [77,79] and experimental data [92][93][94]103]. (a) Summary of the experimental information provided by different research groups [92][93][94]103] [105], CALPHAD [77,79] and experimental data [44]. In CALPHAD modeling from the present work, case 1A is using the energy difference of (Zr) between hcp and δ structures as 1000 J/mol for model 1 (Zr)1(U,Zr)2, while case 1B is using 527.…”

Studies of the reaction between metal fuels and T91 cladding

“…The activity of uranium was calculated by integrating the Gibbs-Duhem equation [50]. These data have allowed to fit the partial molar excess Gibbs energies versus temperature and concentration and to calculate the Gibbs energies of formation of compounds [47,[51][52][53][54][55][56]. The liquid systems exhibit large negative deviations from ideality indicating a strong attractive interaction between the two components.…”