The system U-UO3: Phase diagram and oxygen potential

Babelot, J.-F.; Ohse, R.W.; Hoch, M.

doi:10.1016/0022-3115(86)90044-9

Cited by 26 publications

(16 citation statements)

References 23 publications

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“…Our liquidus and solidus lines are in fair agreement with those calculated by Babelot et al [14], also shown in Fig. 5.…”

Section: Discussionsupporting

confidence: 92%

“…5. The U-O system [6], and with the phase diagram calculated by Babelot et al [14]. In the most oxidized samples, horizontal error bands for the liquidus points are asymmetrically extended towards higher oxygen contents (dotted arrows) to take into account the possible effect of segregation on the actual composition of the liquid upon freezing.…”

Section: Discussionmentioning

confidence: 99%

See 1 more Smart Citation

Advances in the Experimental Determination of the Uranium–Oxygen Phase Diagram at High Temperature

Manara¹,

Pflieger²,

Sheindlin³

2005

Int J Thermophys

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“…Our liquidus and solidus lines are in fair agreement with those calculated by Babelot et al [14], also shown in Fig. 5.…”

Section: Discussionsupporting

confidence: 92%

Section: Discussionmentioning

confidence: 99%

Advances in the Experimental Determination of the Uranium–Oxygen Phase Diagram at High Temperature

Manara¹,

Pflieger²,

Sheindlin³

2005

Int J Thermophys

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“…(3) calculated from DFT. ∆G O2 has been measured by several investigators [40][41][42][43][44][45][46][47][48] and the results have been analyzed in thermodynamic assessments and reviews of the U-O system. 46,49-51 For example, based on experimental data from Markin and Bones, 41 Labroche et al calculated ∆H O2 /2 to range from −1.4 eV to −1.5 eV between UO 2.01 and UO 2.082 .…”

Section: Determination From Experimental Measurementsmentioning

confidence: 99%

First-principles calculations of uranium diffusion in uranium dioxide

et al. 2012

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The present work reports first-principles DFT+U calculations of uranium self-diffusion in uranium dioxide (UO2), with a focus on comparing calculated activation energies to those determined from experiments. To calculate activation energies, we initially formulate a point defect model for UO2±x that is valid for small deviations from stoichiometry. We investigate five migration mechanisms and calculate the corresponding migration barriers using both the LDA+U and GGA+U approximations. These energy barriers are calculated using the occupation matrix control scheme that allows one to avoid the metastable states that exist in the DFT+U approximation. The lowest migration barrier is obtained for a vacancy mechanism along the 110 direction. This mechanism involves significant contribution from the oxygen sublattice, with several oxygen atoms being displaced from their original position. The 110 vacancy diffusion mechanism is predicted to have lower activation energy than any of the interstitial mechanisms and comparison to experimental data for stoichiometric UO2 also confirms this mechanism.

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“…It should be noted that EOS of pure uranium is often used as an explicit constituent of combined EOS of hypo-stoichiometric uranium-oxygen mixture, the latter being described as a binary solution of U and UO 2 [10] (Fig. 2 [12], Fig.…”

Section: Eos Of Uranium In Applicationsmentioning

confidence: 99%

“…High-temperature uranium EOS is also required for investigation of a nuclear safety problem to construct the global uranium-oxygen phase diagram [9], [10], [12], [13] (see also [11], [2]). It should be noted that EOS of pure uranium is often used as an explicit constituent of combined EOS of hypo-stoichiometric uranium-oxygen mixture, the latter being described as a binary solution of U and UO2 [10] (Fig. 2 [12], Fig.…”

Section: Eos Of Uranium In Applicationsmentioning

confidence: 99%

Uranium critical point problem

Iosilevskiy

Gryaznov

2005

Journal of Nuclear Materials

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Significant uncertainty of uranium critical point parameters in present knowledge is considered. Paper is to reveal thermodynamic aspects of the problem through comparison of some available theoretical predictions for the uranium critical point parameters as well as to discuss in brief plausible versions to meet existing contradiction. New calculations of gas-liquid coexistence in uranium by modern thermodynamic code are included in the analysis.

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The system U-UO3: Phase diagram and oxygen potential

Cited by 26 publications

References 23 publications

Advances in the Experimental Determination of the Uranium–Oxygen Phase Diagram at High Temperature

Advances in the Experimental Determination of the Uranium–Oxygen Phase Diagram at High Temperature

First-principles calculations of uranium diffusion in uranium dioxide

Uranium critical point problem

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