Review
Green & Sustainable Science & Technology
Michael Ojovan, Vladislav A. Petrov, Sergey Yudintsev
Summary: Glass crystalline materials (GCM) are versatile wasteforms used to immobilize various types of radioactive and chemically hazardous wastes, produced through either low temperature sintering or conventional melting methods. Their advantages lie in combining the benefits of glass and crystalline matrices.
Article
Materials Science, Multidisciplinary
Jiaqian Xu, Mengzhou Wang, Cong Li, Mengxing Han, Qi Wang, Qina Sun
Summary: In this work, simulated spent radioactive resin was successfully solidified using a metakaolin-reinforced sulfoaluminate cement system, with a resin loading of 64% and compressive strength of 13.7 MPa achieved. The promotion of ettringite growth by metakaolin led to excellent durability and Cs(I) retention in the wasteforms.
Article
Construction & Building Technology
S. Shagnay, I. Garcia-Lodeiro, F. Velasco, A. Bautista, M. Torres-Carrasco
Summary: Alkali-activated materials (AAM) and hybrid cements (HC) are sustainable alternatives to Portland cement (PC) with low carbon footprint. AAM has no clinker and uses strong alkaline solutions as activators, while HC has clinker content lower than 30% and uses small amounts of solid alkalis. This study investigates the leaching process of both types of sustainable pastes, showing that AAM pastes have the highest resistance due to the absence of portlandite and high polymerization of silicate chains.
JOURNAL OF BUILDING ENGINEERING
(2023)
Article
Engineering, Multidisciplinary
Yingcan Zhu, Marlon A. Longhi, Aiguo Wang, Dongshuai Hou, Hao Wang, Zuhua Zhang
Summary: This paper investigates the leaching behavior of AAM made from fly ash-slag-silica fume and finds that the leaching percentage of sodium increases slightly with different compositions, reaching a maximum of 30-40% depending on the mixture. The leaching process increases the permeability of nanosized pores and coarsens them, but does not result in a continuous increase in porosity or phase change. The stability of this type of AAM increases confidence in its future application.
COMPOSITES PART B-ENGINEERING
(2022)
Article
Materials Science, Ceramics
Kemian Qin, Xiaoyang Zhang, Kai Bai, Zhaoxuan Jin, Buyun Zhang, Yuchuan Wang, Peng Lv, Ahsan Ejaz, Haiqiang Zhou, Tieshan Wang, Haibo Peng
Summary: This study examined the correlation between the corrosion mechanism and glass composition by comparing the leaching properties of irradiated sodium-borosilicate (NBS) glasses with varying K values. It was found that heavy ion irradiation accelerated the initial Si dissolution rate and there was a strong correlation between the initial dissolution rates and the K value and proportion of Na. The study concluded that the variation trend in the initial dissolution rate of Si and Na differs under ion radiation.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Construction & Building Technology
Samuel Adu-Amankwah, Maciej Zajac, Jan Skocek, Jiri Nemecek, Mohsen Ben Haha, Leon Black
Summary: The study found that changes in porosity and phase assemblage caused by carbonation and leaching in composite cements contributed to their susceptibility to freeze-thaw cycles.
CONSTRUCTION AND BUILDING MATERIALS
(2021)
Article
Chemistry, Physical
Edwin Gevorkyan, Miroslaw Rucki, Tadeusz Salacinski, Zbigniew Siemiatkowski, Volodymyr Nerubatskyi, Wojciech Kucharczyk, Jaroslaw Chrzanowski, Yuriy Gutsalenko, Miroslaw Nejman
Summary: This study investigated the fabrication and performance of binderless nanostructured tungsten carbide (WC) cutting tools, utilizing the electroconsolidation method for powder sintering. The results showed that the pure WC nanostructure had advantages such as smaller cutting edge radius and higher quality machined surface compared to other materials. The durability of the binderless nWC inserts was significantly better than traditional WC-Co cutting tools, especially at elevated cutting speeds.
Article
Materials Science, Ceramics
Nicholas Scales, Pranesh Dayal, Robert D. Aughterson, Yingjie Zhang, Daniel J. Gregg
Summary: A comprehensive study on the development of sodium zirconium phosphate (NZP)-based glass-ceramic composites for nuclear waste immobilization was conducted, revealing in situ crystallisation as a more practical processing route. ZrO2 formation as a minor phase was observed for high NZP to glass ratios, but this can be overcome by adding extra phosphate to achieve appropriate NZP stoichiometry. Overall, the NZP glass-ceramic system offers versatile processing options for nuclear waste management.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2022)
Article
Environmental Sciences
S. Maryam Sadeghi, Helena M. V. M. Soares
Summary: This study proposes a simplified hydrometallurgical strategy for the efficient recovery of platinum from spent petrochemical catalysts. The process involves microwave-assisted leaching with hydrochloric acid and hydrogen peroxide, followed by ion-exchange purification. The study demonstrates that the process can achieve complete dissolution of platinum, aluminum, and iron from the catalysts, with effective separation of platinum from other metals using an ion-exchange resin.
ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
(2023)
Article
Chemistry, Multidisciplinary
Svetlana A. Kulikova, Sergey S. Danilov, Anna V. Matveenko, Anna V. Frolova, Kseniya Y. Belova, Vladimir G. Petrov, Sergey E. Vinokurov, Boris F. Myasoedov
Summary: The study successfully immobilized the radioactive waste generated during the high-temperature processing of mixed nitride uranium-plutonium spent nuclear fuel by synthesizing low-temperature and high-temperature matrices with high stability and strength, meeting current requirements and suitable for industrial processing.
APPLIED SCIENCES-BASEL
(2021)
Article
Engineering, Chemical
Iryna Makarava, Mohammadamin Esmaeili, Simo Pontynen, Vitalii Kavun, Mohammad Reza Bilesan, Mari Lundstrom, Eveliina Repo
Summary: This study demonstrates the successful recovery of pure cobalt oxalate from spent low-grade VHS videotapes. The combination of alkaline hydrolysis and hydrometallurgical leaching achieved high depolymerization yield of polyethylene and cobalt recovery. The technical feasibility of utilizing secondary videotape resources for cobalt recovery is discussed.
MINERALS ENGINEERING
(2023)
Article
Materials Science, Ceramics
Minna Siekkinen, Oskar Karlstrom, Leena Hupa
Summary: This study investigates the dissolution behavior of Bioglass 45S5 in different environments and reveals that the gradients of local ion concentrations play a crucial role in the dissolution process.
INTERNATIONAL JOURNAL OF APPLIED GLASS SCIENCE
(2022)
Article
Green & Sustainable Science & Technology
Sanjay Pindar, Nikhil Dhawan
Summary: A feasible recycling method for spent lithium metal batteries was developed, utilizing microwave processing and physical separation techniques to enhance manganese extraction and recover lithium carbonate through water leaching, showing significant cost-effectiveness.
JOURNAL OF CLEANER PRODUCTION
(2021)
Article
Chemistry, Physical
Yonghao Di, Xiangwei Zhang, Xinlin Wang, Shuilin Zheng
Summary: The binary composite of BiOCl and alkali leached natural clinoptilolite (40B0/CN) displayed delayed recombination of photo-generated carriers, enhanced formaldehyde adsorption, and improved photocatalytic degradation efficiency. This study highlighted the importance of photocatalytic technology in efficiently degrading formaldehyde.
Article
Chemistry, Physical
Yutong Ren, Ming Ren, Xinrui Xie, Jianan Wang, Yaohang Cai, Yi Yuan, Jing Zhang, Peng Wang
Summary: The study focuses on improving the durability of perovskite solar cells by blending commercial polymer and organic salt with spiro-OMeTAD to create a high-performance organic composite material. This composite material can achieve high efficiency perovskite solar cells at 85 degrees Celsius and shows good control over charge transport, interfacial recombination, and hole extraction. Multiple experimental measurements and molecular dynamics modeling reveal the crucial impact of organic coatings on the thermal decomposition of hybrid perovskites from a new perspective of gas diffusion modulation.
Article
Materials Science, Ceramics
Paul C. M. Fossati, Thomas A. Mellan, Navaratnarajah Kuganathan, William E. Lee
Summary: A study was conducted on the vibration modes and thermodynamical properties of amorphous sodium silicate using atomic-scale models and considering different Na2O concentrations. The potentials used showed the ability to describe various oxides, suggesting potential for studying more complex glasses in the future.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2021)
Article
Materials Science, Ceramics
Jun Ji, Liu Zhang, Jinman Yu, William E. Lee, Simon C. Middleburgh, Dechun Li, Xuye Wang, Qinggang Li, Zhi Wang, Guopu Shi, Fei Chen
Summary: The synthesis, characterization, and first-principles calculations of Ti3SiC2/Al2O3 ceramics were investigated. The purity of the composite ceramics was confirmed through X-ray diffraction measurements. The stability and intercrystalline strengthening of Ti3SiC2/Al2O3 composite ceramics were found to be influenced by the terminations of Ti3SiC2 and Al2O3 crystals, particularly the attraction between coordinatively unsaturated Ti and O atoms on their interface.
CERAMICS INTERNATIONAL
(2021)
Article
Nuclear Science & Technology
M. J. Bolukbasi, S. C. Middleburgh, M. Dahlfors, W. E. Lee
Summary: In this study, fuel assemblies using gadolinium oxide enriched with 157Gd isotope were modelled and compared to natural Gd based absorber. The use of enriched Gd isotopes in the fuel eliminates residual reactivity caused by natural gadolinium oxide and allows similar reactivity properties with less burnable absorber. The financial cost of incorporating enriched Gd isotopes into nuclear fuel has also been estimated.
PROGRESS IN NUCLEAR ENERGY
(2021)
Article
Nuclear Science & Technology
L. J. Evitts, M. R. Gilbert, S. C. Middleburgh, W. E. Lee, M. Dahlfors
Summary: The presence of thorium in UO2 fuel rods can significantly impact the ratios of plutonium isotopes. As burnup and thorium content increase, the 242Pu/239Pu ratio may rise by as much as 3.5% in extreme cases.
PROGRESS IN NUCLEAR ENERGY
(2021)
Article
Materials Science, Multidisciplinary
Megan W. Owen, Michael J. D. Rushton, Lee J. Evitts, Antoine Claisse, Mattias Puide, William E. Lee, Simon C. Middleburgh
Summary: Grain boundaries in ZrO2 can serve as pathways for species like oxygen and hydrogen, influencing corrosion. Impurities and alloying elements can lead to highly-doped grain boundaries with amorphous structures, which shows increased oxygen diffusivity compared to undoped crystalline systems.
JOURNAL OF NUCLEAR MATERIALS
(2021)
Article
Nanoscience & Nanotechnology
Eugenio Zapata-Solvas, Bibi Malmal Moshtaghioun, Diego Gomez-Garcia, Arturo Dominguez-Rodriguez, William E. Lee
Summary: This paper examines the mechanical response of hafnium diboride at different temperatures and reveals that it exhibits metal mechanical behavior.
SCRIPTA MATERIALIA
(2021)
Article
Chemistry, Physical
Gareth F. Stephens, Yan Ren Than, William Neilson, Lee J. Evitts, Mark R. Wenman, Samuel T. Murphy, Robin W. Grimes, Aidan Cole-Baker, Susan Ortner, Natasha Gotham, Michael J. D. Rushton, William E. Lee, Simon C. Middleburgh
Summary: The research investigated the accommodation mechanisms for Li in ZrO2 using density functional theory, finding that the solubility of Li into ZrO2 is very low, indicating it is unlikely to be the cause for accelerated corrosion under equilibrium conditions.
SOLID STATE IONICS
(2021)
Article
Materials Science, Multidisciplinary
C. M. Moore, J. A. Wilson, M. J. D. Rushton, W. E. Lee, J. O. Astbury, S. C. Middleburgh
Summary: The atomic-scale behavior of a high entropy alloy and its hydrides during hydrogen absorption has been simulated using density functional theory, revealing the promotion of vacancy formation by hydrogen and proposing a model for hydride decomposition. Phase transformations were observed in different arrangements of the hydride structure under specific conditions.
Article
Materials Science, Ceramics
Doni Daniel Jayaseelan, S. Pramana, S. Grasso, Y. Bai, S. Skinner, M. J. Reece, W. E. Lee
Summary: In this study, single-phase Hf2Al4C5 ternary carbide was fabricated using pressure assisted sintering techniques and its properties were investigated at different temperatures. The results showed that Hf2Al4C5 started to form at relatively low temperatures and fully formed after reactive sintering for a certain period of time. The thermal conductivity of Hf2Al4C5 was measured to be good at high temperatures. The oxidation study revealed that Hf2Al4C5 exhibited good oxidation resistance at high temperatures and had favorable interface bonding characteristics.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2022)
Article
Energy & Fuels
Jack A. Wilson, Lee J. Evitts, Alberto Fraile, Roy E. Wilson, Michael J. D. Rushton, David T. Goddard, William E. Lee, Simon C. Middleburgh
Summary: In this study, the thermal expansion behavior of equiatomic alloys in the Mo-Nb-Ta-Ti-W system was investigated using atomic-scale modeling techniques. The results showed that these techniques can reliably predict the thermal expansion behavior of high entropy alloys and concentrated solid solutions.
JOURNAL OF PHYSICS-ENERGY
(2022)
Article
Nuclear Science & Technology
Mustafa J. Bolukbasi, Simon C. Middleburgh, Scott Vrtiska, William E. Lee
Summary: Improvements in fuel efficiency and economy are crucial for nuclear power reactors. Burnable absorbers (BA) are being developed to enhance fuel cycle flexibility and mitigate performance drawbacks. This study investigates a novel concept - Discrete Burnable Absorber Pins (DBAP) containing ZrB2 and UB2, which show great potential for fuel efficiency and economy. It is observed that the use of DBAP leads to increased reactivity at the end of fuel life due to changes in Pu-239 breeding near the BA.
PROGRESS IN NUCLEAR ENERGY
(2022)
Editorial Material
Energy & Fuels
Amanda Quadling, William Edward Lee, Jack Astbury
Summary: This paper introduces a special issue of the Journal of Physics: Energy, compiled by the UK fusion community, discussing the key challenges in the materials aspect of fusion reactors and their successful roll-out. These challenges include resilience to tritium, transmutation, and neutron bombardment, suitable irradiation strategies for damage studies, and defining guidance for material safety and waste management in the evolving regulatory era.
JOURNAL OF PHYSICS-ENERGY
(2022)
Article
Materials Science, Ceramics
Phylis Makurunje, Simon C. Middleburgh, William E. Lee
Summary: This review discusses various approaches to address the high processing temperatures required in reactive melt infiltration (RMI) processing of modern multiphase ceramic matrix composites (CMCs). It focuses on using immiscible phases, miscible phases, silicide phases, and/or silicide eutectics to lower the temperature requirement for RMI, optimizing the composition of incorporated phases, minimizing damage to reinforcing phases, utilizing rapid heating techniques, and developing in situ real-time monitoring systems. Future opportunities include integrating additive manufacturing with RMI, utilizing process modeling, and applying in situ and in operando characterization techniques.
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Multidisciplinary
Megan W. Owen, Michael W. D. Cooper, Michael J. D. Rushton, Antoine Claisse, William E. Lee, Simon C. Middleburgh
Summary: UO 2 fuel pellets are often doped with chromium oxide to improve their properties. The low solubility of chromium in UO 2 can lead to segregation of Cr ions to the grain boundary, affecting the material and operational properties of the fuel pellet. This study investigates the structure and diffusion behavior of undoped and Cr doped UO 2 systems using molecular dynamics methods, and highlights the importance of additives in retaining fission products and other migratory species.
JOURNAL OF NUCLEAR MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Megan W. Owen, Michael J. D. Rushton, Michael W. D. Cooper, E. M. Ghardi, Antoine Claisse, William E. Lee, Simon C. Middleburgh
Summary: Configurational entropy has been calculated to determine its role in stabilizing the amorphous structure of SiO2. Various atomic scale modeling methods were used to assess the structures of crystalline and amorphous SiO2, and the associated configurational entropy was computed at different temperatures. Together with the enthalpy terms from density functional theory, a reliable method for evaluating the stability of crystalline and amorphous structures has been proposed for future studies on dopants, glass forming additives, and radiation damage. Future work will consider the contribution of vibrational entropy to complete the assessment of amorphization.
SCRIPTA MATERIALIA
(2023)
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)
