Article
Chemistry, Physical
D. A. Rozhentsev, N. I. Shurov, N. K. Tkachev
Summary: The high-temperature electrochemical dealloying of PdIn intermetallic in LiCl-KCl eutectic was conducted in potentiostatic mode at 450°C. The resulting formation of bi-continuous nano-porous structures with different residual indium content was analyzed at different time intervals. The study showed the formation of specific bi-continuous structures with a pore size of approximately 100 nm, close to the temperature of palladium recrystallization. Continuing the dealloying process for 5 hours resulted in a pure intermetallic Pd2In compound in nanoporous state.
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
(2023)
Article
Chemistry, Physical
Liangyan Hao, Soumya Sridar, Wei Xiong
Summary: Thermodynamic modeling and optimization were conducted to investigate the thermodynamic behavior evolution of KCl-LiClNaCl and KCl-LiCl-NdCl3 systems, as well as their constituent binary systems. The study provides insights into the thermodynamic properties of the electrolyte and the variation of solubility limits of different impurities during the electrorefining process.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Electrochemistry
Wonseok Yang, Na-ri Lee, Chanyong Jung, Tae-Hong Park, Sungyeol Choi, Sang-Eun Bae
Summary: This study aimed to develop a new microelectrode for use in high-temperature molten salts, and evaluated its performance by determining the parameters of the Sm(III)/Sm(II) reaction. The electrochemical and kinetic properties of the samarium ion in the temperature range 723-823 K were calculated. The results show that the developed microelectrode can provide the necessary kinetic parameters for designing pyroprocesses.
ELECTROCHEMISTRY COMMUNICATIONS
(2023)
Article
Engineering, Chemical
Yingcai Wang, Qian Liu, Shuang Zhang, Yuhui Liu, Youqun Wang, Ying Dai, Zhimin Dong, Zhongping Cheng, Xiaohong Cao, Yuqian Chen, Zhibin Zhang, Yunhai Liu
Summary: This study focuses on the recovery of the rare earth element yttrium from spent fuel using molten salt electrolysis technology. Various electrochemical test methods were employed to investigate the redox mechanism of yttrium and gallium ions on tungsten electrode and the electrode reaction of yttrium ions on the liquid gallium electrode. The thermodynamic and kinetic parameters of the electrode process were obtained, and the extraction rate of yttrium on the gallium electrode was found to reach a maximum of 99.39%.
SEPARATION AND PURIFICATION TECHNOLOGY
(2022)
Article
Chemistry, Analytical
Valeri Smolenski, Alena Novoselova, Vladimir A. Volkovich, Alexander A. Ryzhov, Yongde Yan, Yun Xue, Fuqiu Ma
Summary: The speciation and behavior of dysprosium (III) chloride in the ternary low melting LiCl-KCl-CsCl eutectic was studied using electrochemistry and spectroscopy techniques. The study found a subtle decomposition of Dy(III) to Dy(II) chloro-species at high temperatures. Additionally, the cathodic reduction of Dy(III) ions was investigated in an inert atmosphere.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Analytical
Michael R. Shaltry, Prabhat K. Tripathy, Tae-Sic Yoo, Guy L. Fredrickson
Summary: The study utilized tungsten rods as working and counter electrodes to conduct electrochemical measurements on YCl3, ScCl3, GdCl3, and MgCl2 in a molten LiCl-KCl eutectic. Analysis of cyclic voltammetry data provided values for diffusion coefficients, exchange current density, and charge transfer resistance, and discussed the effectiveness of normalization techniques for comparing experimental results.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2021)
Article
Engineering, Chemical
Zhuyao Li, Dandan Tang, Siyu Meng, Longhao Gu, Ying Dai, Zhirong Liu
Summary: The reduction mechanisms of Sm(III) and Dy(III) on different electrodes were explored, leading to successful separation of Dy from Sm using pulse potential electrolysis on a LBE alloy electrode. Analysis using differential pulse voltammetry and ICP-MS showed low relative measurement errors for monitoring the concentrations of Sm(III) and Dy(III).
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Electrochemistry
Dong-Dong Wang, Ya-Lan Liu, Yu-Ke Zhong, Shi-Lin Jiang, Yi-Chuan Liu, Jia-Zhuang Chen, Wei Han, Lin Wang, Wei-Qun Shi
Summary: In this study, the electrochemical behavior and reduction process of uranyl ions UO22+ in molten LiCl-KCl eutectic at 773 K were investigated. The reduction of UO22+ ions on the inert W electrode was found to be a three-step process, and electrolysis experiments confirmed this mechanism and successfully obtained nano-sized UO2 and U metal particles. Electronic absorption spectroscopy and inductively coupled plasma optical emission spectroscopy results showed that the oxidation state of uranium remained unchanged and the uranium concentration gradually decreased during the electrolysis. X-ray diffraction and scanning electron microscopy were used to characterize the phase composition and microstructure of deposited products.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2023)
Article
Electrochemistry
Brandon C. Day, James Zillinger, Vivek Utgikar, Krishnan S. Raja
Summary: This study investigated cyclic voltammetry, square wave voltammetry, and electrochemical impedance spectroscopy measurements in LiCl-KCl eutectic molten salt containing different concentrations of TeCl4. The diffusivity of Te species generally decreased with an increase in the concentration of TeCl4, as observed from the experiments conducted with tungsten and glassy carbon working electrodes at 450 degrees C.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY
(2021)
Article
Nuclear Science & Technology
Alexander Zhitkov, Alexei Potapov, Kirill Karimov, Anna Kholkina, Vladimir Shishkin, Alexander Dedyukhin, Yury Zaykov
Summary: The interaction between UN and CdCl2 in the LiCl-KCl molten eutectic was investigated at 1023 K. It was found that UN can be completely chlorinated to form uranium chlorides in the presence of CdCl2. The reaction rate is dependent on the concentration of the chlorinating agent, with higher concentrations resulting in faster reaction rates.
NUCLEAR ENGINEERING AND TECHNOLOGY
(2022)
Article
Chemistry, Analytical
Rui Yuan, Cheng Lv, Heli Wan, Shaolong Li, Yusi Che, Yongchun Shu, Jilin He, Jianxun Song
Summary: This study investigated the electrochemical behavior of V(III) in LiCl-KCl-VCl3 at 450 degrees C using various electrochemical methods. The reduction process showed that V(III) was initially reduced to V(II) and then further reduced to metallic V. Additionally, it was found that V(III) could also be directly reduced to metallic V, with all reduction processes controlled by diffusion.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2021)
Article
Chemistry, Physical
Jacy K. Conrad, Kazuhiro Iwamatsu, Michael E. Woods, Ruchi Gakhar, Bobby Layne, Andrew R. Cook, Gregory P. Horne
Summary: The impact of iodide ions on the speciation and chemical kinetics of radiation-induced transient radicals in high temperature molten salts was studied using picosecond electron pulse irradiation techniques. It was found that the presence of iodide ions resulted in the formation of at least three overlapping species: e(S)(-), Cl-2(-), and ICl-. The newly observed interhalogen radical anion, ICl-, exhibited a lifetime on the order of microseconds over the investigated temperature range, and its decay mechanism was determined to be reaction with the Cl-2(-) radical anion. These findings have implications for the transport of fission-product iodine in molten salt reactor technologies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Engineering, Chemical
Wei Han, Xinyao Feng, Yijie Wang, Rugeng Liu, Meng Zhang, Mei Li
Summary: In this study, the electrochemical behavior of UO22+ and the nucleation mechanism of UO2 were investigated for the recovery of UO2 from LiCl-KCl-UO2F2 molten salt. The results showed that UO2 was formed through a two-step reduction process involving one electron transfer. The disproportionation reaction of UO2+ was also examined, and its exchange current densities were determined at different temperatures, indicating an activation energy of 32.31 kJ mol-1. The nucleation mechanism of UO2 was followed by chronoamperometry, and the effect of applied potential on the crystal size of UO2 was observed. Pulse electrolysis was employed to avoid dendrite formation and produce UO2 with a regular octahedral microstructure.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Nuclear Science & Technology
Jeremy Moon, Dev Chidambaram
Summary: This study investigates the UV-Vis-NIR spectra of lanthanide chlorides in LiCl-KCl eutectic salt and reports the molar absorption coefficients for analytically useful absorption maxima. The results show that NIR absorption spectroscopy may provide a better analytical signal when insoluble phases are present and can be used for concentration determination of certain elements.
PROGRESS IN NUCLEAR ENERGY
(2022)
Article
Chemistry, Analytical
Alena Novoselova, Valeri Smolenski, Vladimir A. Volkovich, Alexander A. Ryzhov, Yongde Yan, Yun Xue, Fuqiu Ma
Summary: The cathodic behavior of Dy(III) ions was studied on both inert and active electrodes using electrochemical and spectroscopy techniques. It was found that the reduction process on inert electrodes is irreversible, while the reactions on active electrodes do not involve the formation of Dy(II) ions, but rather the formation of intermetallic compounds.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
L'ubomir Smrcok, Armel Le Bail, Miroslav Boca, Aydar Rakhmatullin
CRYSTAL GROWTH & DESIGN
(2020)
Article
Chemistry, Inorganic & Nuclear
Aydar Rakhmatullin, Frantisek Simko, Emmanuel Veron, Mathieu Allix, Charlotte Martineau-Corcos, Andy Fitch, Franck Fayon, Roman A. Shakhovoy, Kirill Okhotnikov, Vincent Sarou-Kanian, Michal Korenko, Zuzana Netriova, Ilja B. Polovov, Catherine Bessada
INORGANIC CHEMISTRY
(2020)
Article
Chemistry, Multidisciplinary
Dominik J. Kubicki, Daniel Prochowicz, Elodie Salager, Aydar Rakhmatullin, Clare P. Grey, Lyndon Emsley, Samuel D. Stranks
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2020)
Article
Chemistry, Inorganic & Nuclear
Aydar Rakhmatullin, Rudy Michel, Catherine Bessada
Summary: The LiF-AlF3 system with additions of MgO and MgF2 was investigated using O-17, Mg-25, Al-27 and F-19 in-situ high temperature NMR techniques. The study found evidence of a chemical reaction between MgO and the salt in the melts, providing insight into the speciation and evolution of the system.
JOURNAL OF FLUORINE CHEMISTRY
(2021)
Article
Chemistry, Physical
Frantisek Simko, Aydar Rakhmatullin, Michal Korenko, Catherine Bessada
Summary: The molten system Na3AlF6 - SiO2 was studied using high temperature NMR, revealing the high solubility of SiO2 and immiscibility phenomenon in the cryolite. Weight losses detected in thermogravimetric analysis were attributed to the formation of volatile products. The study demonstrated that SiO2 reacts with molten Na3AlF6 to form volatile SiF4, non-volatile NaF, and alumino-silicate species AlSi3O8-, highlighting the potential of NMR spectroscopy coupled with diffraction-based methods in analyzing complex chemical systems.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Multidisciplinary
Daria Chernysheva, Ludmila Pudova, Yuri Popov, Nina Smirnova, Olga Maslova, Mathieu Allix, Aydar Rakhmatullin, Nikolay Leontyev, Andrey Nikolaev, Igor Leontyev
Summary: NiO/C nanocomposites were synthesized via a two-step method, exhibiting beta-NiO with spherical particles distributed on the carbon support surface. The average diameter of nickel oxide spheres increases with NiO content, while the specific capacitance reaches its maximum at 60 wt% NiO concentration before decreasing, showing excellent cycling stability properties. NiO/C composites with 60% NiO are promising materials for charging quartz clocks with a power rating of 1.5 V (30 min).
Article
Chemistry, Inorganic & Nuclear
Alberto J. Fernandez-Carrion, Aydar Rakhmatullin, Li Yang, Michael J. Pitcher, Dominique Massiot, Florence Porcher, Mathieu Allix, Xiaojun Kuang
Summary: The study focuses on the ionic dynamics of orthorhombic Na2MgSiO4, a compound that shows pure Na ionic conductivity and three-dimensional migration paths through a solid-state reaction method. Experimental methods including impedance spectroscopy, molecular dynamics simulation, and solid-state NMR spectroscopy are used to characterize the ionic behavior of Na ions within the compound.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Aydar Rakhmatullin, Maxim S. Molokeev, Graham King, Ilya B. Polovov, Konstantin Maksimtsev, Erwan Chesneau, Emmanuelle Suard, Rinat Bakirov, Frantisek Simko, Catherine Bessada, Mathieu Allix
Summary: The crystal structures of three polymorphs of Rb3ScF6 have been determined, with detailed structural characterization including phase transitions temperatures and confirmation of isostructurality with potassium cryolite phases. Density functional theory and NMR were used for detailed analysis, particularly focusing on the dynamic rotations of the ScF6 octahedra in the beta polymorph.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Aydar Rakhmatullin, Vasiliy V. Brusko, Elmira R. Shcherbitskaya, Ilya B. Polovov, Rinat Bakirov, Catherine Bessada
Summary: A family of three- and four-coordinated silver(I) complexes with N-thiophosphorylated thiourea and thioamide ligands have been studied by solid-state Ag-109 and P-31 CPMAS NMR spectroscopy. The Ag-109 NMR spectra provide valuable structural information about Ag coordination and the data presented in this work are a significant addition to the available Ag-109 chemical shifts and chemical shifts anisotropies.
MAGNETIC RESONANCE IN CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Raquel Utrera-Melero, Marie Cordier, Florian Massuyeau, Jean-Yves Mevellec, Aydar Rakhmatullin, Charlotte Martineau-Corcos, Camille Latouche, Sandrine Perruchas
Summary: Copper(I) halides are promising materials for solid-state lighting technology due to their structural diversity and rich photoluminescence properties. The influence of dimerization and ligand nature on the photophysical properties of copper iodide clusters was investigated. It was found that the nature of the ligand has a greater impact on the properties than the nuclearity of the clusters, highlighting the importance of ligand design in material development for specific lighting applications.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Frantisek Simko, Aydar Rakhmatullin, Graham King, Mathieu Allix, Catherine Bessada, Zuzana Netriova, Dhiya Krishnan, Michal Korenko
Summary: In this study, a precise examination of a portion of the phase diagram of a CsF-Al2O3 system was conducted through various approaches. A new cesium oxo-fluoro-aluminate compound was discovered, and several pure compounds were synthesized to aid in the interpretation of NMR spectra.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Physical
Dhiya Krishnan, Michal Korenko, Frantisek Simko, Marta Ambrova, Lorant Szatmary, Aydar Rakhmatullin
Summary: Experimental measurements were conducted to investigate the relationship between electrical conductivity and temperature as well as NdF3 concentration for four molten systems. The results showed that the conductivity of all systems increased with higher temperatures and lower NdF3 concentrations.
Article
Materials Science, Multidisciplinary
Dhiya Krishnan, Michal Korenko, Frantisek Simko, Blanka Kubikova, Aydar Rakhmatullin
Summary: Phase diagrams of Na3AlF6-NdF3 and (Na3AlF6-NdF3)(eut)-Nd2O3 systems were determined by thermal analysis. XRD analysis of the solidified samples showed the formation of new compounds in both systems.
Article
Chemistry, Inorganic & Nuclear
Frantisek Simko, Aydar Rakhmatullin, Graham King, Mathieu Allix, Catherine Bessada, Zuzana Netriova, Dhiya Krishnan, Michal Korenko
Summary: In this experiment, a precise examination of a portion of the phase diagram of a CsF-Al2O3 system was conducted using various approaches. A new cesium oxo-fluoro-aluminate compound was discovered, and other pure compounds were synthesized to aid in the interpretation of the experimental results.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Miroslav Boca, Maxim Molokeev, Aydar Rakhmatullin, Blanka Kubikova, Zuzana Netriova
NEW JOURNAL OF CHEMISTRY
(2020)
Article
Materials Science, Multidisciplinary
Liuming Wei, Jingwen Li, Yonggang Li, Qirong Zheng, Fan Cheng, Chuanguo Zhang, Jingyu Li, Gaofeng Zhao, Zhi Zeng
Summary: This study investigates the influence of He-V complexes on H behaviors on different W surfaces using DFT calculations. The results show that H dissolution is most difficult but H trapping is easiest on the W (110) surface, while the opposite is true on the W (111) surface. Moreover, the presence of He-V complexes increases the difficulty of H diffusion from bulk to surface and desorption.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Yan Meng, Song Zeng, Chen Chen, Chaowen Zhu, Huahai Shen, Xiaosong Zhou, Xiaochun Han
Summary: The characteristics of magnetron sputtered Cr coatings vary with different temperature, bias voltage, and pressure. Coatings with random orientation, good crystallinity, and small grain size exhibit favorable oxidation behavior, while coatings with strong (200) texture, poor crystallinity, and large grains have many intrinsic defects that are detrimental to the protection property of the Cr coatings.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Xinyuan Xu, Zefeng Yu, Wei-Ying Chen, Aiping Chen, Arthur Motta, Xing Wang
Summary: This study presents an automated approach for characterizing grain morphology in TEM images recorded during ion irradiation. By combining a machine learning model and a computer vision algorithm, comparable results to human analysis can be achieved with significantly reduced analysis time. Researchers can train their own models following the procedures described in this study to automate grain morphology analysis of their own TEM images.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Shihao Wu, Dong Wang, Yapei Zhang, Koji Okamoto, Marco Pellegrini, Wenxi Tian, Suizheng Qiu, G. H. Su
Summary: The oxidation and degradation mechanisms of Cr coating on Zr alloy cladding under high temperature steam atmosphere are summarized, and a mathematical analysis model is established to predict the changes in coating thickness. The model is applied in the analysis of structure evolution under different conditions.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
V. Diaz-Mena, J. de Prado, M. Roldan, I. Izaguirre, M. Sanchez, M. Rieth, A. Urena
Summary: The brazeability of a cupronickel alloy was evaluated as a filler alloy for high-temperature joining of tungsten to steel. The study investigated the brazing conditions and the impact of the selected filler on the joint quality using numerical software. The results showed different metallurgical interactions and diffusion phenomena between the filler alloy and the base materials at different temperatures. The study emphasized the importance of selecting a suitable filler to mitigate residual stresses in the joints.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Pengcheng Zhu, Yajie Zhao, Yan-Ru Lin, Jean Henry, Steven J. Zinkle
Summary: This study investigates the effect of heavy-ion irradiation on radiation hardening in high-purity binary alloy Fe18Cr. Nanoindentation testing and high-quality TEM imaging were conducted to extract hardness and microstructure information. The strength factor was accurately calculated based on the detailed TEM characterization of irradiated microstructures, and a refined hardening superposition method was applied to quantify the mechanical properties of ion-irradiated materials.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Bin Wu, Haixia Ning, Hanzhen Zhu, Jianjun Chen, Kang Wang, Daiyu Zhang, Fu Wang, Qilong Liao
Summary: This study discusses the effects of ZrO2 and B2O3 on the phase composition and properties of SAP-based glass-ceramics. The results show that ZrO2 addition improves the formation of NZP phase while restricting the crystallization of AlPO4 phases. The correct ratios of ZrO2 and B2O3 allow only the formation of NZP phase within the SAP glass.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Hwasung Yeom, Greg Johnson, Benjamin Maier, Tyler Dabney, Kumar Sridharan
Summary: Cr-Nb bilayer coatings were developed using cold spray deposition to improve the limiting operational temperature of Cr-coated Zr-alloy system. The coatings exhibited outstanding oxidation resistance at high temperatures and formed continuous intermetallic compound layers at the interfaces.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Padhraic L. Mulligan, Andrew T. Nelson, Chad M. Parish, Patrick A. Champlin, Xiang Chen, Daniel Morrall, Jason M. Harp
Summary: Environmental barrier coatings are being developed to reduce oxidation and embrittlement in Zr-based materials. Chromium nitride is a candidate for this application, but understanding its impact on irradiation-induced creep and microstructure is critical.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Dexuan Yan, Xinlei Cao, Ke Shen
Summary: This study investigated the purification mechanism of polycrystalline graphite by comparing IG-11 graphite with IG-110 nuclear grade graphite. The analysis revealed that metallic impurities in IG-11 were primarily segregated within graphite porosities, while IG-110 demonstrated a significant reduction in impurities. This research contributes to the development of innovative graphite purification techniques for greater purity and stronger oxidation resistance.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Wei Xu, Wei Peng, Lei Shi, Qi Sun
Summary: This paper investigates the oxidation and shape evolution of matrix graphite in high temperature gas-cooled reactors during air-ingress accidents. A reaction kinetics model is established and computational fluid dynamics with a dynamic mesh method is used to simulate the oxidation process. The results show that the geometric shape of graphite changes significantly with increasing flow rate, and the graphite pebbles tend to form a structure with a narrow front and wide tail.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Allison Harward, Casey Elliott, Michael Shaltry, Krista Carlson, Tae-Sic Yoo, Guy Fredrickson, Michael Patterson, Michael F. Simpson
Summary: This paper investigates the hygroscopic properties of eutectic LiCl-KCl absorbed into zeolite-4A. The study finds that water absorption and corrosion worsen with increasing salt loading. It also suggests that the salt can be stored in a non-inert atmosphere for a certain period of time.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Takaaki Koyanagi, Xunxiang Hu, Christian M. Petrie, Gyanender Singh, Caen Ang, Christian P. Deck, Weon-Ju Kim, Daejong Kim, James Braun, Yutai Katoh
Summary: This study provides critical experimental data on the effects of irradiation on the hermeticity of SiC composite cladding, finding that irradiation can cause a decrease in hermeticity and cracking, and coating the outer surface can mitigate the cracking issue.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
S. Krat, A. Prishvitsyn, Yu. Gasparyan
Summary: This study proposes a probabilistic and diffusion-based model to describe the co-deposition of multiple hydrogen isotopes with slowly grown metal layers. The model calculates the relative concentrations of different hydrogen isotopes in the co-deposited metal layers. It is found that if hydrogen isotopes have different detrapping energies, only the isotope with the highest detrapping energy shows a monotonic decrease in concentration with deposition temperature. Furthermore, the study evaluates the uncertainty of tritium concentration in the co-deposited layer based on the uncertainty in detrapping energy of tritium and deuterium, predicting a >10% tritium concentration uncertainty for a 0.01 eV difference.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Tijo Vazhappilly, Arup Kumar Pathak
Summary: This study investigates the effect of Ce atom substitution in UO2 on its thermophysical properties using density functional theory. The results show that the Ce substitution levels and the oxidation state of Ce/U atoms strongly influence the band structure and specific heat capacity of the UO2 lattice. These findings provide important insights into the fuel properties of UO2 under reactor conditions.
JOURNAL OF NUCLEAR MATERIALS
(2024)
