Article
Materials Science, Multidisciplinary
R. Boffy, L. Martel, R. Schweins, J. Somers, J. Beaucour, F. J. Bermejo
Summary: The internal structure of several alkali-borosilicate glasses when exposed to a high thermal neutron flux was studied, with different glasses showing varying resistance to irradiation. Experimental tools like Nuclear Magnetic Resonance (NMR) and Small Angle Neutron Scattering (SANS) were used for structural analysis, revealing the possibility of phase segregation in a zinc-alkali-borosilicate.
JOURNAL OF NUCLEAR MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Zefeng Yu, Mukesh Bachhav, Fei Teng, Lingfeng He, Adrien Couet
Summary: A comprehensive characterization study on 1 and 4 cycles X2 (R) revealed the effect of irradiation-induced alloying element redistribution on in-reactor corrosion kinetics. The study found Nb-rich native precipitates and irradiation-induced platelets/nanoclusters, as well as Fe-rich transition cracks and oxide grain boundaries.
Article
Nuclear Science & Technology
A. Das, P. Chekhonin, M. Houska, F. Obermeier, E. Altstadt
Summary: Neutron irradiation-induced embrittlement of the reactor pressure vessel (RPV) increases the reference temperature (T0) and reduces the operating lifetime of nuclear reactors. We tested sub-sized 0.16T C(T) specimens manufactured from already tested SE(B) standard Charpy-sized specimens to overcome the shortage of irradiated material. Results showed comparable outcomes between 0.16T C(T) and standard Charpy-sized specimens.
NUCLEAR MATERIALS AND ENERGY
(2023)
Article
Materials Science, Multidisciplinary
T. Fujita, J. Hirabayashi, Y. Katayama, F. Kano, H. Watanabe
Summary: The microstructure and radiation-hardening of surveillance test pieces of reactor pressure vessel steels were investigated using STEM/EDS and Vickers micro-hardness measurements. Nano-size Ni-Si-rich solute clusters (SCs) and dislocation loops (DLs) were found in low-Cu steel, while Cu-rich SCs were observed in high-Cu steels. The stability of DLs suggests their entanglement with solute atoms, and the Cu content in the matrix plays a crucial role in the nucleation of DLs.
JOURNAL OF NUCLEAR MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
K- Fukumoto, T. Mabuchi, K. Yabuuchi, K. Fujii
Summary: After irradiation with Fe ions, significant irradiation hardening and subsequent recovery were observed in the stainless steel model alloy, mainly attributed to Ni-Si clusters and Frank loops. The dense formation of Ni-Si clusters plays a controlling role in the behavior of irradiation hardening.
JOURNAL OF NUCLEAR MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Keyou S. Mao, Aaron J. French, Xiang Liu, Yaqiao Wu, Lucille A. Giannuzzi, Cheng Sun, Megha Dubey, Paula D. Freyer, Jonathan K. Tatman, Frank A. Garner, Lin Shao, Janelle P. Wharry
Summary: This study investigates the integrity of laser welds on neutron irradiated, He-containing steels. Laser welding nearly eliminates all irradiation-induced cavities and suppresses He-induced cracking. Laser welding induces Cr-rich precipitation and suppresses grain boundary radiation-induced segregation.
MATERIALS & DESIGN
(2021)
Article
Materials Science, Multidisciplinary
Anshul Kamboj, Mukesh N. Bachhav, Megha Dubey, Nathan Almirall, Takuya Yamamoto, Emmanuelle A. Marquis, Robert Odette
Summary: Embrittlement of light water reactor pressure vessel steels by fast neutron irradiation is primarily due to the formation of nanoscale precipitates containing Cu, Ni, Mn, and Si. However, phosphorus (P) also plays a role in embrittlement, with hardening and embrittlement increasing with trace P concentrations in low-Cu steels. Atom probe tomography analysis showed that P and Ni promote precipitation of specific precipitates, which correlates with the observed irradiation hardening.
JOURNAL OF NUCLEAR MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Andreas Ulbricht, Mercedes Hernandez-Mayoral, Elvira Onorbe, Auriane Etienne, Bertrand Radiguet, Eric Hirschmann, Andreas Wagner, Hieronymus Hein, Frank Bergner
Summary: This study provides a detailed understanding of the irradiation-induced nanofeatures in reactor pressure vessel steels and identifies the dominant factors contributing to the increase in Vickers hardness. The results suggest that under high flux conditions, smaller nanoscale solute atom clusters and sub-nanoscale vacancy clusters are formed, leading to moderate effects on hardening.
Article
Materials Science, Multidisciplinary
N. Castin, G. Bonny, M. J. Konstantinovic, A. Bakaev, F. Bergner, C. Courilleau, C. Domain, B. Gomez-Ferrer, J. M. Hyde, L. Messina, G. Monnet, M. Pascuet, B. Radiguet, M. Serrano, L. Malerba
Summary: Researchers have developed a physics-based model to predict the hardening and embrittlement of nuclear reactor pressure vessel steels, providing reliable assessments of embrittlement for a wide range of materials. The core of their model is a multiscale modelling tool that predicts solute clustering kinetics based on steel composition and irradiation conditions.
MATERIALS TODAY PHYSICS
(2022)
Article
Multidisciplinary Sciences
Chaoliang Xu, Xiangbing Liu, Yuanfei Li, Wenqing Jia, Qiwei Quan, Wangjie Qian, Jian Yin, Xiao Jin
Summary: The development of a prediction model on irradiation embitterment (PMIE) of reactor pressure vessel (RPV) is crucial for long-term operation of nuclear reactors. A preliminary model is established based on the physical mechanism of RPV irradiation embrittlement, with a critical threshold of 0.072% Cu content. The PMIE-2020 prediction model is then developed for low Cu RPV steels, and its accuracy is confirmed through analysis of residual, standard deviation, predicted values, and comparison with other models and irradiation data.
Article
Nuclear Science & Technology
Chaoliang Xu, Xiangbing Liu, Hongke Wang, Yuanfei Li, Wenqing Jia, Wangjie Qian, Qiwei Quan, Huajian Zhang, Fei Xue
Summary: A prediction model for irradiation embrittlement trend of RPV steel was developed using machine learning method XGBoost, showing high accuracy and consistency with current understanding of embrittlement mechanism.
NUCLEAR ENGINEERING AND TECHNOLOGY
(2021)
Article
Materials Science, Multidisciplinary
Chrysoula Ioannidou, Alfonso Navarro-Lopez, Robert M. Dalgliesh, Arjan Rijkenberg, Xukai Zhang, Bart Kooi, Nico Geerlofs, Catherine Pappas, Jilt Sietsma, Ad A. van Well, S. Erik Offerman
Summary: In this study, in-situ neutron diffraction and small-angle neutron scattering were used for the first time to investigate the phase transformation and precipitation kinetics in three steels with different vanadium and carbon concentrations during isothermal annealing. The results showed that the addition of vanadium and carbon can affect the phase transformation rate and the formation of precipitates.
Article
Geochemistry & Geophysics
Emily M. Peterman, Steven M. Reddy, David W. Saxey, Denis Fougerouse, M. Zakaria Quadir, Michael J. Jercinovic
Summary: The study analyzed untreated and experimentally heated Archean zircons, revealing the formation of clustered structures in the heated zircon similar to those observed in natural geological processes. The differences in cluster distribution between experimentally heated and geologically affected zircons are determined by radiation dose, pressure-temperature-time history, and zircon composition. These findings provide insight into the significance of clustered trace elements and their isotopic characteristics in zircon.
AMERICAN MINERALOGIST
(2021)
Article
Physics, Multidisciplinary
ChihCheng Chang, Dmitry Terentyev, Aleksandr Zinovev, Wouter Van Renterghem, Chao Yin, Patricia Verleysen, Thomas Pardoen, Monika Vilemova, Jiri Matejicek
Summary: The study evaluated the microstructure and hardness of four tungsten grades before and after neutron irradiation, investigating the influence of microstructure on neutron damage accumulation, characterizing through various experimental techniques.
Article
Materials Science, Multidisciplinary
F. Naziris, M. Kolluri, T. Bakker, S. Hageman, V. Petrosyan, A. Petrosyan, G. Sevikyan
Summary: Mechanical testing and microstructural investigation were conducted on VVER-440 15Cr2MoV welds after irradiation and recovery annealing at different temperatures. Prolonged irradiation caused hardening and embrittlement, but significant recovery of mechanical properties was observed after annealing at 475℃.
JOURNAL OF NUCLEAR MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Liangzhao Huang, Kan Ma, Lisa T. Belkacemi, Marie Loyer-Prost, Estelle Meslin, Elin Toijer, Luca Messina, Christophe Domain, Julien Vidal, Maylise Nastar
Summary: A systematic atom probe tomography study was conducted on dilute Fe-Ni and Ni-Ti model alloys to investigate radiation-induced segregation (RIS). The study revealed fluctuations in solute local concentration and the influence of dislocation loop population size and density on these fluctuations. Additionally, the impact of post-treatment parameters on the extracted segregation profiles was highlighted.
Article
Energy & Fuels
Lorenzo Malerba, Abderrahim Al Mazouzi, Marjorie Bertolus, Marco Cologna, Pal Efsing, Adrian Jianu, Petri Kinnunen, Karl-Fredrik Nilsson, Madalina Rabung, Mariano Tarantino
Summary: Nuclear energy is the main low-carbon electricity source in Europe, with a focus on developing next generation nuclear systems. Materials and material science play a crucial role in achieving safer, more efficient, more economical, and more sustainable nuclear energy. The paper proposes a research agenda that combines digital technologies with materials science practices to promote innovation and balance various nuclear energy interests.
Article
Materials Science, Multidisciplinary
V. S. M. Pereira, T. P. Davis, M. H. Mayoral, A. Kumar, H. Schut, J. Sietsma
Summary: Oxide Dispersion Strengthened (ODS) steels have high thermal stability, high resistance to creep and radiation-induced damage. These properties are attributed to the presence of fine and highly thermally stable yttrium-oxygen (Y-O) based nanoparticles. This study assessed the effects of annealing at 1400 K on the microstructure and oxide nanoparticles in a 0.3% Y2O3 ODS Eurofer steel.
MATERIALS CHARACTERIZATION
(2022)
Article
Materials Science, Multidisciplinary
Andreas Ulbricht, Mercedes Hernandez-Mayoral, Elvira Onorbe, Auriane Etienne, Bertrand Radiguet, Eric Hirschmann, Andreas Wagner, Hieronymus Hein, Frank Bergner
Summary: This study provides a detailed understanding of the irradiation-induced nanofeatures in reactor pressure vessel steels and identifies the dominant factors contributing to the increase in Vickers hardness. The results suggest that under high flux conditions, smaller nanoscale solute atom clusters and sub-nanoscale vacancy clusters are formed, leading to moderate effects on hardening.
Article
Nuclear Science & Technology
G. Kapoor, P. Chekhonin, C. Kaden, K. Vogel, F. Bergner
Summary: Hardening of Fe-9%Cr alloys exposed to irradiation with Fe2+ ions of two different energies is investigated using nanoindentation. The limited penetration depth of the ions causes steep damage gradients in the near-surface volumes of the irradiated samples, resulting in graded microstructures and depth-dependent irradiation hardening. The observed microstructures consist of dislocation loops with band-like distributions and are concluded to be the dominant source of the measured irradiation-induced hardening. Linear superposition is found to be the most appropriate selection under the present conditions for predicting the hardening contributions.
NUCLEAR MATERIALS AND ENERGY
(2022)
Article
Physics, Applied
Frank Bergner, Cornelia Kaden, Aniruddh Das, Susana Merino, Gonzalo Diego, Peter Hahner
Summary: Nanoindentation of ion-irradiated materials is used to study the bulk-equivalent hardness of homogeneous unirradiated and neutron-irradiated samples, revealing a reasonable agreement between the hardness of ion-irradiated samples and observations for neutron-irradiated samples.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Andreas Ulbricht, Andre Heinemann, Frank Bergner
Summary: Ferritic/martensitic Fe-Cr-based steels are potential materials for nuclear fission and fusion. Previous experiments have contributed greatly to the understanding of their irradiation behavior. However, there are still some details that need to be addressed. This study used small-angle neutron scattering to investigate the effects of Cr saturation, irradiation temperature, and neutron dose on the formation of solute atom clusters/precipitates in Fe-Cr alloys and F/M steels.
JOURNAL OF APPLIED CRYSTALLOGRAPHY
(2022)
Article
Materials Science, Multidisciplinary
N. Castin, G. Bonny, M. J. Konstantinovic, A. Bakaev, F. Bergner, C. Courilleau, C. Domain, B. Gomez-Ferrer, J. M. Hyde, L. Messina, G. Monnet, M. Pascuet, B. Radiguet, M. Serrano, L. Malerba
Summary: Researchers have developed a physics-based model to predict the hardening and embrittlement of nuclear reactor pressure vessel steels, providing reliable assessments of embrittlement for a wide range of materials. The core of their model is a multiscale modelling tool that predicts solute clustering kinetics based on steel composition and irradiation conditions.
MATERIALS TODAY PHYSICS
(2022)
Article
Nuclear Science & Technology
Elvira Onorbe, Mercedes Hernandez-Mayora, Rebeca Hernandez, Marta Serrano
Summary: This study investigates the thermal stability of a 9Cr-1Mo ferritic/martensitic steel before and after thermomechanical treatment. The results show that the material after thermomechanical treatment has a more stable microstructure compared to the as received material.
NUCLEAR MATERIALS AND ENERGY
(2022)
Article
Materials Science, Multidisciplinary
J. J. Gao, B. Decamps, A. Fraczkiewicz, A. C. Bach, T. Jourdan, E. Meslin
Summary: This study investigates the effects of temperature on dislocation loop density and radiation-induced segregation (RIS) phenomena in an ion irradiated multi-principal element alloy (MPEA) containing 15Cr-46Fe-17Mn-22Ni (at.%). The results show that the loop densities are independent of temperature within the range of 95 K to 623 K and decrease above 623 K. Furthermore, Ni enrichment and depletion of Cr, Fe, and Mn on the loops are observed at 823 K. The solute redistribution is explained by an inverse Kirkendall (IK) mechanism. No obvious chemical segregation/depletion phenomena are detected at 298 K. This comprehensive study provides a better understanding of the behavior of CrFeMnNi MPEAs under irradiation.
Article
Materials Science, Multidisciplinary
G. Magnifouet, M. Vallet, E. Meslin, M. Walls, C. Bouillet, J. Arabski, V. Pierron-Bohnes
Summary: Fe/Cr/Fe trilayers and multilayers were prepared as model systems to provide simple data for diffusion properties in nuclear materials. The structure of these systems was characterized, and it was found that the film structure differed on MgO20nm/SrTiO3 and MgO substrates due to the residual strain in the MgO buffer layer. High-quality superlattices were prepared with coherent epitaxy of Fe and Cr. The in-plane residual strain in Fe varied with substrate, and these strains enhanced the contrast between Fe and Cr.
Article
Materials Science, Multidisciplinary
Libang Lai, Paul Chekhonin, Shavkat Akhmadaliev, Jann-Erik Brandenburg, Frank Bergner, Andrii Kostryzhev
Summary: Ion irradiation is a promising tool for simulating neutron-irradiation effects on reactor pressure vessel (RPV) steels when neutron-irradiated materials are limited. This study compares the effects of ions and neutrons on the same materials and addresses the transferability issues between ions and neutrons. The first part of the study characterizes unirradiated RPV materials using electron microscopy techniques, while the second part focuses on the depth-dependent characterization of dislocation loops formed in ion-irradiated samples. Ion irradiation creates similar loop sizes but higher loop densities compared to neutron irradiation, possibly due to the higher dose rate.
Article
Metallurgy & Metallurgical Engineering
Anna Benarosch, Bernard Marini, Caroline Toffolon-Masclet, Zofia Trzaska, Estelle Meslin, Ivan Guillot
Summary: The impact of molybdenum, manganese, and cooling rate on the microstructures of low-alloy 16 to 20MND5 steels used in nuclear reactor components was studied. FeCMoMn was found to be a suitable model alloy, and the presence of molybdenum or manganese did not affect the misorientation angle/axis pairs of martensite. However, the presence of manganese seemed to favor the formation of block boundaries in bainitic microstructures. The cooling rate had a continuous effect on the microstructures, with coarser structures observed at lower cooling rates.
METALLURGICAL RESEARCH & TECHNOLOGY
(2022)
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)
