Thermodynamic Analysis of the Pu-U-B Ternary Phase Diagram
Yuji Nishihara, Hiroshi Ohtani, Mitsuhiro Hasebe
Abstract
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Yuji Nishihara, Hiroshi Ohtani, Mitsuhiro Hasebe
Abstract
Open-access reader
A thermodynamic analysis of the Pu U B ternary system has been carried out using the CALPHAD method.The formation energies of the boride phases MB 2 , MB 4 , MB 12 of this system obtained from first principles calculation were utilized to compensate for the lack of experimental information on the phase boundaries and thermodynamic properties of this system.The optimized thermodynamic parameters reproduced the characteristic features of binary phase diagrams quite well.The liquidus surface and isothermal sections were calculated.According to the calculated results, the liquidus temperature was raised with increasing B content.
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A thermodynamic analysis of the Pu U B ternary system has been carried out using the CALPHAD method.The formation energies of the boride phases MB 2 , MB 4 , MB 12 of this system obtained from first principles calculation were utilized to compensate for the lack of experimental information on the phase boundaries and thermodynamic properties of this system.The optimized thermodynamic parameters reproduced the characteristic features of binary phase diagrams quite well.The liquidus surface and isothermal sections were calculated.According to the calculated results, the liquidus temperature was raised with increasing B content.
Key concepts: Liquidus, CALPHAD, Phase diagram, Thermodynamics, Isothermal process, Ternary operation, Phase (matter), Materials science