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        Electrochemical Behavior of Sm(III) on the Aluminium-Gallium Alloy Electrode in LiCl-KCl Eutectic

        Ye, Chang-Mei,Jiang, Shi-Lin,Liu, Ya-Lan,Xu, Kai,Yang, Shao-Hua,Chang, Ke-Ke,Ren, Hao,Chai, Zhi-Fang,Shi, Wei-Qun Korean Radioactive Waste Society 2021 방사성폐기물학회지 Vol.19 No.2

        In this study, the electrochemical behavior of Sm on the binary liquid Al-Ga cathode in the LiCl-KCl molten salt system is investigated. First, the co-reduction process of Sm(III)-Al(III), Sm(III)-Ga(III), and Sm(III)-Ga(III)-Al(III) on the W electrode (inert) were studied using cyclic voltammetry (CV), square-wave voltammetry (SWV) and open circuit potential (OCP) methods, respectively. It was identified that Sm(III) can be co-reduced with Al(III) or Ga(III) to form Al<sub>z</sub>Sm<sub>y</sub> or Ga<sub>x</sub>Sm<sub>y</sub> intermetallic compounds. Subsequently, the under-potential deposition of Sm(III) at the Al, Ga, and Al-Ga active cathode was performed to confirm the formation of Sm-based intermetallic compounds. The X-ray diffraction (XRD) and scanning electron microscopy-energy dispersive spectroscopy (SEM-EDS) analyses indicated that Ga<sub>3</sub>Sm and Ga<sub>6</sub>Sm intermetallic compounds were formed on the Mo grid electrode (inert) during the potentiostatic electrolysis in LiCl-KCl-SmCl<sub>3</sub>-AlCl<sub>3</sub>-GaCl<sub>3</sub> melt, while only Ga<sub>6</sub>Sm intermetallic compound was generated on the Al-Ga alloy electrode during the galvanostatic electrolysis in LiCl-KCl-SmCl<sub>3</sub> melt. The electrolysis results revealed that the interaction between Sm and Ga was predominant in the Al-Ga alloy electrode, with Al only acting as an additive to lower the melting point.

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        Effects of fission product doping on the structure, electronic structure, mechanical and thermodynamic properties of uranium monocarbide: A first-principles study

        Ru-Ting Liang,Tao Bo,Wan-Qiu Yin,Chang-Ming Nie,Lei Zhang,Zhi-Fang Chai,Wei-Qun Shi Korean Nuclear Society 2023 Nuclear Engineering and Technology Vol.55 No.7

        A first-principle approach within the framework of density functional theory was employed to study the effect of vacancy defects and fission products (FPs) doping on the mechanical, electronic, and thermodynamic properties of uranium monocarbide (UC). Firstly, the calculated vacancy formation energies confirm that the C vacancy is more stable than the U vacancy. The solution energies indicate that FPs prefer to occupying in U site rather than in C site. Zr, Mo, Th, and Pu atoms tend to directly replace U atom and dissolve into the UC lattice. Besides, the results of the mechanical properties show that U vacancy reduces the compressive and deformation resistance of UC while C vacancy has little effect. The doping of all FPs except He has a repairing effect on the mechanical properties of U<sub>1-x</sub>C. In addition, significant modifications are observed in the phonon dispersion curves and partial phonon density of states (PhDOS) of UC<sub>1-x</sub>, Zr<sub>x</sub>U<sub>1-x</sub>C, Mo<sub>x</sub>U<sub>1-x</sub>C, and Rh<sub>x</sub>U<sub>1-x</sub>C, including narrow frequency gaps and overlapping phonon modes, which increase the phonon scattering and lead to deterioration of thermal expansion coefficient (α<sub>V</sub>) and heat capacity (C<sub>p</sub>) of UC predicted by the quasi harmonic approximation (QHA) method.

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