Article
Chemistry, Multidisciplinary
Daniel Olsson, Junyi Li, Mats Jonsson
Summary: The interfacial radiation chemistry of UO2 is crucial for the development of corrosion rate prediction models for spent nuclear fuel in contact with groundwater. The oxidative dissolution of UO2 induced by radiolytically produced H2O2 is of great significance. Stable uranyl peroxo-carbonato complexes formed by UO22+ in water containing H2O2 and HCO3-/CO32- have been largely overlooked in previous studies. Experimental results show that these complexes have little to no reactivity with the solid UO2 surface under certain conditions. The dissolution rate depends on the UO22+ concentration and is limited by the free H2O2 fraction.
Article
Materials Science, Multidisciplinary
Thibault Kaczmarek, Stephanie Szenknect, Laurent Claparede, Martiane Cabie, Xavier Le Goff, Adel Mesbah, Renaud Podor, Nicolas Dacheux
Summary: UO2 pellets incorporating 3 mol.% of Ru were prepared and characterized. The presence of Ru metallic particles was found to have a catalytic effect on the dissolution of UO2 in nitric acid, supported by redox reactions taking place at the solid/solution interface.
NPJ MATERIALS DEGRADATION
(2022)
Article
Chemistry, Physical
N. L. Hansson, M. Jonsson
Summary: Using a numerical simulation approach, the impact of three possible contributions to the inhibiting effect of molecular hydrogen on radiation-induced oxidative dissolution of spent nuclear fuel was investigated. The simulations showed that the first contribution had little importance, while the second contribution could completely inhibit the oxidative dissolution. Interestingly, the simulations suggested that the third contribution, the reaction between H2 and surface-bound hydroxyl radicals, could account for the observed inhibition in systems without noble metal inclusions.
RADIATION PHYSICS AND CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Junyi Li, Xianjie Liu, Mats Jonsson
Summary: This study experimentally investigated the change in UO2 reactivity after exposure to O2 or gamma-radiation. The results showed that the reactivity of UO2 decreased significantly over time, especially in consecutive exposures. Surface analysis revealed that UO2 surfaces were significantly oxidized under all exposure conditions, with the presence of U(V) and no U(VI) observed.
INORGANIC CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
J. Radwan, J. Ly, D. Hainos
Summary: A new alpha radiolysis-driven matrix dissolution model is proposed in this study, and the dissolution rate under specific conditions is estimated and compared with previous research results, showing good agreement.
Article
Engineering, Mechanical
Fan Qu, Lian Liu, Guanyu Tao, Wen Zhan, Shengpeng Zhan, Yinhua Li, Changchun Li, Xikun Lv, Zhimin Shi, Haitao Duan
Summary: In this study, the thermal oxidative-ageing mechanisms of Polytetrafluoroethylene (PTFE) were investigated using infrared spectroscopy and molecular dynamics simulations. The influence of the thermal oxidative-ageing time on the tribological properties of PTFE under a high load (20 MPa) was also studied. Results showed that thermal oxidative-ageing led to oxidation fracture, generating CF2O products, and further oxidized to CFO2 as ageing time increased. The dynamic friction coefficient of PTFE fluctuated significantly under heavy load and its wear rate fluctuated over a small range but showed a decreasing trend with increased ageing.
TRIBOLOGY INTERNATIONAL
(2023)
Article
Chemistry, Inorganic & Nuclear
Manon Cot-Auriol, Matthieu Virot, Thomas Dumas, Olivier Diat, Xavier Le Goff, Philippe Moisy, Sergey I. Nikitenko
Summary: UO2+x nanoparticles with larger size, better order and more crystallinity were successfully synthesized using sonochemistry.
DALTON TRANSACTIONS
(2023)
Article
Engineering, Environmental
Julien Margate, Matthieu Virot, Thomas Dumas, Christophe Jegou, Tony Chave, Manon Cot-Auriol, Ange Alves, Sergey I. Nikitenko
Summary: Pseudomorphic transformations, conserving the shape and structure of materials, have the ability to tailor their physico-chemical properties for specific applications. The sonochemical behavior of powdered UO2 in dilute aqueous solutions saturated with Ar/(20%)O2 was investigated, leading to the formation of uranyl peroxide precipitates with unique morphologies. The formation of drilled polymorphs in the platelet-shaped oxide was attributed to the perfect combination of H+ ions, in-situ generation of H2O2, and high-frequency ultrasound.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Chemistry, Physical
E. K. Papynov, O. O. Shichalin, I. Yu Buravlev, S. I. Ivannikov, V. V. Zheleznov, A. S. Portnyagin, A. N. Fedorets, D. Kh Shlyk, A. E. Sukhorada, A. E. Tarabanova, D. Yu Kosyanov, V. Yu Yagofarov, I. G. Tananaev, V. Sergienko
Summary: This study investigates the densification dynamics of UO2-Y2O3 system under spark plasma sintering conditions, revealing the formation of (U,Y)O-2 solid solutions and the structural changes within the ceramics bulk. The results show that the addition of Y2O3 leads to a decrease in microhardness, compressive strength, and density, although the values remain within acceptable limits.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Paper & Wood
Pingli Lv, Zhe Han, Yaqi Chu, Hairui Ji
Summary: A biomass pretreatment strategy using a recyclable cosolvent was developed in this study, with ethanol replacing water to reduce energy consumption. Lignin removal and enzymatic saccharification yield reached 49.27% and 93.28% at a mild temperature of 80 degrees C. Characterization of obtained lignin was done using various spectroscopic techniques, and the interaction mechanism with cosolvent molecules was explored through computational calculations and simulations.
Article
Physics, Applied
Seyed Mehrdad Zamzamian, Zahra Kowsar, Ahmadreza Zolfaghari
Summary: This paper investigated the behavior of xenon atoms in different grain boundary misorientations through molecular dynamics simulations. The results showed that xenon atoms aggregate and form larger clusters in grain boundaries with misorientations of 36 degrees and 53 degrees, which have lower formation energy compared to other grain boundaries. Additionally, a decrease in xenon atoms was observed at a slight distance from these two grain boundary regions, indicating their effectiveness in reducing xenon concentration. Calculation of diffusion coefficients also indicated that the presence of these two grain boundaries increases the diffusion coefficients of xenon, oxygen, and uranium. The study demonstrates the importance of the 36 degrees and 53 degrees grain boundaries in swelling.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Chemistry, Physical
Yongdong Yu, Jiayu Pan, Yuchen Yuan, Xudong Liu, Wanjun Yu, Hang Yin, Yongting Zheng, Xiaodong He
Summary: In this study, AZY-TCC with different Y2O3 contents were successfully prepared, and their properties were tested and analyzed. The results showed that the solidification morphology of AZY-TCC changed with increasing Y2O3 content, and the coatings exhibited excellent mechanical and anti-oxidative characteristics.
APPLIED SURFACE SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
Ziqiang Wang, Miaosen Yu, Chen Yang, Xuehao Long, Ning Gao, Zhongwen Yao, Limin Dong, Xuelin Wang
Summary: This study investigated the influence of radiation defects on the thermo-mechanical properties of UO2 using molecular dynamics method, finding that Frenkel pairs and antisite defects lead to reduced thermal expansion coefficient and linear decrease in elastic modulus at finite temperatures.
Article
Medicine, Research & Experimental
Mikkel Herzberg, Anders S. Larsen, Tue Hassenkam, Anders O. Madsen, Jukka Rantanen
Summary: The dissolution of solid matter into aqueous solution is a challenging aspect in drug development, with pH being the most important factor. The combination of in situ atomic force microscopy (AFM) and molecular dynamics simulation allows for direct visualization of the crystal surface and provides a more detailed understanding of the behavior of particulate matter in solution.
MOLECULAR PHARMACEUTICS
(2022)
Article
Chemistry, Inorganic & Nuclear
Ghada El Jamal, Junyi Li, Mats Jonsson
Summary: This study investigates the impact of Cl-, Br-, and ClO4- on the oxidative dissolution of UO2 induced by H2O2, revealing both ionic strength effects and specific ion effects on the kinetics of the reactions involved.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
(2021)
Article
Environmental Sciences
Alexander N. Chernyshev, Annika C. Maier, Mats Jonsson, Kerstin Forsberg
Summary: The solubilisation of Ni(II) and Eu(III) in alkaline solutions by complexation with a polyaryl ether based superplasticizer was studied. The solubility of the metals increased with higher concentration of superplasticizer but decreased at higher pH due to rapid degradation of the superplasticizer. The complexation of the metals with the PAE polymer occurred via the phosphate group of the superplasticizer.
Review
Biochemistry & Molecular Biology
Clelia Dispenza, Daniela Giacomazza, Mats Jonsson
Summary: Bio-hybrid hydrogels utilize radiation technologies to enhance biological activity, control chemical reactions, and have potential sterilization functions. They can serve as delivery devices for therapeutic biomolecules and create hydrogel patterns on surfaces.
Article
Chemistry, Physical
Zhuofeng Li, Mats Jonsson
Summary: The study investigates the reactivities of various radiolysis products towards carbon black, providing insights into the role of carbon black in the radiation-synthesis of nanoparticles.
Correction
Chemistry, Multidisciplinary
Elin Toijer, Mats Jonsson
Article
Materials Science, Multidisciplinary
Inna Soroka, Nakkyu Chae, Mats Jonsson
Summary: Radiation-induced corrosion of the copper canister used for storing spent nuclear fuel in future geological repositories is a potentially important process for long-term safety. Recent experimental studies have revealed a disagreement between experimental observations and numerical simulations based on the proposed mechanism, leading to the proposal of a new corrosion mechanism driven by radiolytically produced O-2.
Article
Chemistry, Multidisciplinary
Zhuofeng Li, Diana Piankova, Yi Yang, Yuta Kumagai, Hannes Zschiesche, Mats Jonsson, Nadezda V. Tarakina, Inna L. Soroka
Summary: The study reveals that intermediate phases play a crucial role in CeO2 mesocrystal formation by converting Ce-III into Ce-IV. The evolution of CeO2 mesocrystals involves multiple stages, ultimately leading to the formation of complex hierarchical architectures.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Physical
Veena Singh, Claudio M. Lousada, Mats Jonsson, Liubov M. Belova
Summary: This paper reports a high throughput method for inkjet printing of nano-structured photocatalytically active TiO2 films, which shows higher photocatalytic performance and mechanical stability compared to films made via the traditional doctor blade method. It suggests that inkjet printing can be an efficient method for the large-scale production of TiO2 photocatalysts.
Article
Chemistry, Inorganic & Nuclear
Junyi Li, Zoltan Szabo, Mats Jonsson
Summary: This study identified the ternary uranyl-peroxo-chloro and uranyl-peroxo-bromo complexes using spectroscopy techniques. The uranyl-peroxo-chloro complex was found to be more stable than the uranyl-peroxo-bromo complex, which transforms into studtite at high uranyl and H2O2 concentrations. Studtite was also found to dissolve under high ionic strength conditions, suggesting it may not be a stable solid phase under very saline conditions. The uranyl-peroxo-bromo complex was shown to facilitate H2O2 decomposition via reactive intermediates.
INORGANIC CHEMISTRY
(2022)
Article
Materials Science, Multidisciplinary
Ghada El Jamal, Thomas Gouder, Rachel Eloirdi, Mats Jonsson
Summary: Photoelectron spectroscopy study of the U5f emission provides valuable insight into the surface oxidation mechanism of uranium oxides. Different methods are used to determine the surface oxidation state and track the surface modification and reduction under various oxidative conditions.
JOURNAL OF NUCLEAR MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Daniel Olsson, Junyi Li, Mats Jonsson
Summary: The interfacial radiation chemistry of UO2 is crucial for the development of corrosion rate prediction models for spent nuclear fuel in contact with groundwater. The oxidative dissolution of UO2 induced by radiolytically produced H2O2 is of great significance. Stable uranyl peroxo-carbonato complexes formed by UO22+ in water containing H2O2 and HCO3-/CO32- have been largely overlooked in previous studies. Experimental results show that these complexes have little to no reactivity with the solid UO2 surface under certain conditions. The dissolution rate depends on the UO22+ concentration and is limited by the free H2O2 fraction.
Article
Chemistry, Physical
Celice Carlsson, Benjamin Fegeant, Emelie Svensson, Love Wiklund, Mats Jonsson
Summary: This study investigates the selectivity and formaldehyde yield of Tris and methanol as probes for surface-bound hydroxyl radicals in homogeneous and heterogeneous systems. The experiments demonstrate that Br2 & BULL;− reduces the formaldehyde yield compared to hydroxyl radicals in the homogeneous methanol system, while Tris increases the yield. Similar trends are observed in the photocatalysis system. The paper discusses the reasons for these changes and the suitability of Tris and methanol as probes.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Zhuofeng Li, Inna L. Soroka, Nadezda V. Tarakina, Maria Antonietta Sabatino, Emanuela Muscolino, Marta Walo, Mats Jonsson, Clelia Dispenza
Summary: In this study, inorganic-organic hybrid nanoparticles were synthesized via radiation synthesis in aqueous dispersions containing radiation-synthesized poly(N-vinyl pyrrolidone) (PVP) nanogels. The experiments indicated strong interactions between the inorganic precursors (Ag+ and Ce3+) and the nanogel prior to irradiation. Characterization using X-ray diffraction (XRD) and transmission electron microscopy (TEM) confirmed the formation of crystalline Ag and CeO2. Both techniques revealed that the inorganic nanoparticles were evenly distributed in/on the nanogel, and their size was controlled by the nanogel.
RADIATION PHYSICS AND CHEMISTRY
(2022)
Article
Chemistry, Inorganic & Nuclear
Junyi Li, Xianjie Liu, Mats Jonsson
Summary: This study experimentally investigated the change in UO2 reactivity after exposure to O2 or gamma-radiation. The results showed that the reactivity of UO2 decreased significantly over time, especially in consecutive exposures. Surface analysis revealed that UO2 surfaces were significantly oxidized under all exposure conditions, with the presence of U(V) and no U(VI) observed.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Hannes Zschiesche, Inna L. Soroka, Mats Jonsson, Nadezda V. Tarakina
Summary: This study investigates the influence of irradiation dose on the growth mechanisms and morphology of CeO2 particles formed through the radiolytic oxidation of Ce3+ in aqueous solution. The results show that different dose rates do not affect the growth pathway of CeO2 particles and result in the formation of highly ordered structures. Additionally, locally applied irradiation induces Ce-ion concentration gradients, impacting the growth of CeO2 and leading to the appearance of branched morphologies.
Article
Chemistry, Physical
Celice Carlsson, Benjamin Fegeant, Emelie Svensson, Love Wiklund, Mats Jonsson
Summary: This study investigates the selectivity and formaldehyde yield of Tris and methanol as probes for surface-bound hydroxyl radicals. The experiments show that Br2& BULL;- reduces the formaldehyde yield, while Tris increases it, compared to hydroxyl radicals. Similar trends are observed in the photocatalysis system, but more pronounced.
JOURNAL OF PHYSICAL CHEMISTRY C
(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)