Article
Materials Science, Multidisciplinary
Yaping Xia, Zhen Wang, Li Wang, Yangchun Chen, Zhixiao Liu, Qingqing Wang, Lu Wu, Huiqiu Deng
Summary: In this study, molecular dynamics simulations were used to investigate the behavior of Xe bubbles in UO2 grain boundaries and compared to that in the UO2 bulk. The results show that Xe clusters have lower formation energy and diffusion activation energy at the grain boundaries. The nucleation and growth of Xe bubbles at different temperatures in the grain boundaries were simulated, revealing differences in bubble structures compared to those in the bulk material.
Article
Materials Science, Multidisciplinary
C. O. T. Galvin, M. J. D. Rushton, M. W. D. Cooper, D. A. Andersson, P. A. Burr, R. W. Grimes
Summary: This study used molecular dynamics and Monte Carlo simulations to predict the lowest energy shapes for voids and bubbles in UO2. It was found that low energy faceted voids are slightly more energetically favourable than spherical voids, and as Xe is added and bubble pressure increases, the faceted morphology becomes even more favourable than the spherical shape.
JOURNAL OF NUCLEAR MATERIALS
(2021)
Article
Materials Science, Multidisciplinary
Li Wang, Zhen Wang, Yaping Xia, Yangchun Chen, Zhixiao Liu, Qingqing Wang, Lu Wu, Wangyu Hu, Huiqiu Deng
Summary: This study systematically investigates the effects of point defects on the behavioural characteristics of Xe/Kr clusters in UO2, finding that Xe and Kr clusters nucleate by occupying vacancies and become more stable in their presence. The diffusion of interstitial Xe/Kr atoms in UO2 is also studied, showing that diffusion is difficult and bubbles are more likely to form at high temperatures.
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
Materials Science, Ceramics
Dezhi Zhang, Yingru Li, Zhenliang Yang, Bingqing Li, Zhiyi Wang, Qiqi Huang, Biaojie Yan, Mingfu Chu, Libing Yu, Rongguang Zeng, Pengcheng Zhang, Bin Bai, Rui Gao, Xinchun Lai
Summary: The novel UO2/SiC nanocomposite pellet, constructed via in-situ hydrothermal synthesis and SPS, showed significantly higher thermal conductivity compared to traditional UO2 pellets. This improvement is expected to enhance heat transferring efficiency of reactors and minimize risks of pellet failure in the entire fuel life cycle.
CERAMICS INTERNATIONAL
(2021)
Article
Chemistry, Physical
Yu-Jie Chen, Xue-Jiao Chen, Bo Yu, Wen-Jing Zhou, Qun Cao, Wen-Quan Tao
Summary: In this study, molecular dynamics simulation method was used to investigate bubble nucleation of water on a grooved copper substrate with hydrophilicity, and a concept based on the competition between molecular kinetic energy and potential restriction was proposed to explain the mechanism of bubble nucleus formation. Simulation results showed that this concept effectively clarifies the intrinsic regimes of bubble nucleation and the nucleation differences between different cases.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Review
Chemistry, Physical
Yu-Jie Chen, Wei Lu, Bo Yu, Wen-Quan Tao, Wenjing Zhou, Qun Cao
Summary: Bubble nucleation in boiling heat transfer is a microscale phenomenon. The commonly used molecular dynamics simulation method often requires an unreasonable heating temperature to achieve bubble nucleation in liquid argon. This study proposes a revised potential model for bubble nucleation study of argon, which can lower the onset nucleation temperature and avoid the unreasonable change of liquid argon properties.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Joel Puibasset
Summary: The spontaneous formation of tiny bubbles in a liquid is crucial for understanding liquid-to-vapor transitions. These spatially correlated bubbles should be considered as one single density depression of the liquid, known as LDR, instead of multiple independent bubbles. This has significant implications for the characterization of bubble density, understanding the transition process, and molecular simulations.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Chemistry, Physical
Joel Puibasset
Summary: This study presents an improved relation that corrects the approximation between the probability size distribution of the largest nucleus and the size distribution of any nucleus, allowing for an accurate calculation of free energy barriers from biased simulations.
JOURNAL OF CHEMICAL PHYSICS
(2022)
Article
Thermodynamics
Lin Shi, Chengzhi Hu, Changli Yi, Jizu Lyu, Minli Bai, Dawei Tang
Summary: A model of nucleate boiling of liquid on the structured surface was constructed, and the processes of nucleate generation and bubble growth were directly observed using molecular dynamics simulation. The research found that the position and number of interfaces are mainly determined by the potential energy restriction generated by structures, which significantly affects the critical heat flux. In addition, liquid retention also affects interfaces and critical heat flux.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Chemistry, Physical
Vladimir G. Baidakov, Sergey P. Protsenko, Vasiliy M. Bryukhanov
Summary: The nucleation of bubbles in a stretched Lennard-Jones liquid between two flat smooth solid walls was investigated using molecular dynamics. The centers of bubbles are mainly located at a distance of (1.5-3) molecular diameters from the walls, with the nucleation rate near the walls being two orders of magnitude higher than in a homogeneous liquid. The liquid boiling-up in the presence of smooth wettable walls proceeds by the mechanism of homogeneous nucleation, regardless of the bubble formation location.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Nanoscience & Nanotechnology
Dong-Dong Jiang, Jian-Li Shao, An-Min He, Pei Wang
Summary: This study investigates the individual and combined effects of He bubbles and grain boundaries on the spallation of aluminum at different strain rates. The results show that both He bubbles and grain boundaries decrease the spall strength, with the presence of a grain boundary reducing the effect of He bubbles by about 50%. Additionally, it is found that He bubbles inhibit void nucleation and growth, while grain boundaries determine the location and mechanism of void or He bubble nucleation and growth, resulting in a more rapid reduction in spall strength in polycrystals compared to single crystals as the strain rate decreases. Furthermore, a linear relationship is observed between the spall strength of polycrystalline Al and the fraction of He atoms when the He concentration is below 0.4 at.%.
SCRIPTA MATERIALIA
(2023)
Article
Thermodynamics
Zirui Li, Zhenyu Wang, Wei Shao, Qun Cao, Zheng Cui
Summary: The nucleate boiling process on rectangular grooved surfaces with varying aspect ratio is studied through molecular dynamics simulation. The rectangular grooves can significantly accelerate the initial bubble nucleation time and delay the transition from bubble nucleation to film boiling. However, when the groove width is extremely narrow, bubbles cannot be generated first due to the limitation of geometric structure and low potential energy region inside the groove.
THERMAL SCIENCE AND ENGINEERING PROGRESS
(2023)
Article
Nuclear Science & Technology
Huaqiang Liu, Wei Deng, Peng Ding, Jiyun Zhao
Summary: The study investigates the nanoscale liquid-vapor phase change process of argon above solid copper substrates with different surface wettability and roughness, and finds that variations in wettability and surface roughness significantly impact the heat transfer and evaporation rate. Increased wettability enhances heat transfer and evaporation flux, while surface roughness advances the boiling inception and increases the evaporation rate.
NUCLEAR ENGINEERING AND DESIGN
(2021)
Article
Thermodynamics
Longyan Zhang, Yin Yang, Jianing Han
Summary: In this study, the impact of nanostructure morphology on liquid argon bubble nucleation on a platinum solid surface was investigated using molecular dynamics methods. Nucleation behavior on smooth and nanostructured surfaces, including trapezoidal, rectangular, and reentrant cavities, was compared. The simulation results revealed that nanostructured surfaces outperformed smooth surfaces in terms of bubble nucleation, with the reentrant cavity showing the shortest nucleation time.
NUMERICAL HEAT TRANSFER PART A-APPLICATIONS
(2023)
Article
Materials Science, Multidisciplinary
Ankit Roy, Ram Devanathan, Duane D. Johnson, Ganesh Balasubramanian
Summary: The study found that grain size has a significant impact on the mechanical properties of MPEAs, with a crossover from the Hall-Petch to inverse-Hall-Petch relation. When the grain size is less than 23.2 nm, the average flow stress decreases, primarily driven by the transition from dislocation slip to grain-boundary slip.
MATERIALS CHEMISTRY AND PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Per Soderlind, Emily E. Moore, Christine J. Wu
Summary: In this study, the high-temperature thermodynamic properties of actinide monocarbides and mononitrides (ThC, ThN, UC, UN, PuC, and PuN) were calculated using first-principles electronic-structure theory. The electronic structure was modeled using density-functional theory (DFT) with full relativistic effects and spin-orbit interaction. Orbital-orbital interactions were taken into account using a parameter-free orbital-polarization (OP) technique, which was found to be essential for the 5f electrons in plutonium. The self-consistent ab initio lattice dynamics (SCAILD) method was used to capture strong anharmonicity and the temperature dependence of lattice vibrations. The calculated free energies and heat capacities were compared with results from quasi-harmonic (QH) theory and experiments, and CALPHAD assessments were used for uranium and plutonium compounds. Generally, the anharmonic relativistic approach showed good agreement with CALPHAD and experiments. However, for thorium compounds, the comparison with QH modeling of the free energy at lower temperatures was favorable but less favorable for the heat capacity.
APPLIED SCIENCES-BASEL
(2022)
Editorial Material
Materials Science, Multidisciplinary
Ram Devanathan, Laurent Capolungo
Article
Chemistry, Multidisciplinary
Alexander Landa, Per Soderlind, Emily E. Moore, Aurelien Perron
Summary: Ni-doped Sm(Fe1-xCox)(12) alloys have been investigated for their magnetic properties. It has been found that replacing a certain amount of Fe and Co with Ni can increase the saturation magnetization of the alloys without affecting the anisotropy field or Curie temperature. This makes Ni a thermodynamic stabilizer with the spin moment aligned parallel to that of the SmFe12 compound.
APPLIED SCIENCES-BASEL
(2022)
Article
Chemistry, Multidisciplinary
Per Soederlind, Alexander Landa, Randolph Q. Hood, Emily E. Moore, Aurelien Perron, Joseph T. McKeown
Summary: We have presented a study on the high-temperature thermodynamic properties of graphite using first-principles anharmonic theory. Our results demonstrate that the inclusion of anharmonic lattice vibrations is crucial for accurate thermodynamic quantities above 1000 K.
APPLIED SCIENCES-BASEL
(2022)
Article
Materials Science, Multidisciplinary
Ankit Roy, David J. Senor, Andrew M. Casella, Ram Devanathan
Summary: This study reports on the computational investigation of defect production and migration in two lithium aluminate ceramics: LiAlO2 and LiAl5O8. Li+ diffusion in LiAl5O8 was found to be significantly slower than that in LiAlO2, possibly due to stronger ordering in the Li-O6 octahedra. The higher lithium displacement threshold energy in LiAl5O8 suggests a lower likelihood of defect formation and clustering, and a lower tendency for amorphization.
JOURNAL OF NUCLEAR MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Emily E. Moore, Timothy P. Genda, Enrica Balboni, Zurong Dai, Aurelien Perron, Kimberly B. Knight
Summary: In a ground-interacting nuclear explosion, the composition and texture of the resulting melt can provide insights into the early cooling conditions of these events. This study uses the CALPHAD method to predict temperature and composition ranges where stable liquid immiscibility might occur in nuclear fallout glass. It also explores the sensitivity of immiscibility to the presence of certain elements and introduces partition coefficients to understand the distribution of components in the melt.
APPLIED SCIENCES-BASEL
(2023)
Article
Chemistry, Multidisciplinary
Per Soderlind, Alexander Landa, Emily E. Moore, Aurelien Perron, John Roehling, Joseph T. McKeown
Summary: In this study, high-temperature thermodynamic properties of gamma-phase uranium were investigated using first-principles, relativistic, and anharmonic theory. The proposed methodology, which includes density-functional theory (DFT) with spin-orbit coupling and self-consistent orbital-polarization (OP) mechanism, provides a more accurate treatment of magnetism and modeling of anharmonic lattice vibrations. The results were compared to CALPHAD modeling, other ab initio methods, and experimental data, showing that the all-electron DFT approach in combination with OP and SCAILD produces Gibbs free energy and heat capacity that are in good agreement with CALPHAD and experimental results, with significant thermal dependence due to the electronic contribution.
APPLIED SCIENCES-BASEL
(2023)
Article
Materials Science, Multidisciplinary
Ankit Roy, Aqmar Hussain, Prince Sharma, Ganesh Balasubramanian, M. F. N. Taufique, Ram Devanathan, Prashant Singh, Duane D. Johnson
Summary: Multi-principal element alloys (MPEAs) are gaining attention for their high-temperature microstructural and mechanical properties. Machine learning (ML) and materials informatics have been used to screen MPEAs, but optimizing new compositions with desirable properties remains a challenge. This study utilized a generative adversarial network coupled with a neural-network ML model to design MPEAs with high hardness, generating optimized compositions with higher hardness than the training data. The findings suggest that generative ML can greatly accelerate materials discovery and guide experiments.
Article
Materials Science, Multidisciplinary
Alfred Amon, Alexander A. Baker, Jibril Shittu, Emily E. Moore, Eunjeong Kim, Connor Rietema, Hunter B. Henderson, A. M. Milinda Abeykoon, Scott K. Mccall
Summary: This study investigated the magnetostrictive performance of polycrystalline Fe-Al alloys with different aluminum compositions and found that rapid cooling can enhance the magnetostrictive response. The use of synchrotron diffraction revealed a correlation between the magnetostrictive behavior and the degree of ordering, which can be suppressed by rapid cooling. Furthermore, the influence of cerium doping on the magnetostriction of Fe-Al alloys was examined, and it was found that the low solubility of cerium in Fe-Al inhibits potential magnetostriction enhancement.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Michele Fullarton, Giridhar Nandipati, David J. Senor, Andrew M. Casella, Ram Devanathan
Summary: In this study, a large-scale molecular dynamics (MD) simulation was conducted to examine displacement cascades in the near-surface region of pure nickel. The results showed that the production and clustering of vacancies were higher for near-surface cascades, while the production and clustering of self-interstitial atoms increased with depth. The effects of primary knock-on atom (PKA) energy and temperature on defect production were similar for both near-surface and bulk cascades.
JOURNAL OF NUCLEAR MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
S. Nam, E. Simsek, N. Argibay, O. Rios, H. B. Henderson, D. Weiss, E. E. Moore, A. P. Perron, S. K. Mccall, R. T. Ott
Summary: Al-Ce-Mg system was studied to understand the composition-dependent strength through directed-energy deposition (DED) and hardness measurements. It was found that Al11Ce3 precipitates were present in all cases, and the highest hardness was measured for the Al-8Ce-10Mg composition. Three strengthening mechanisms, including Hall-Petch strengthening, particle strengthening, and solid-solution strengthening, were used to explain the measured strengths. Vickers hardness showed good correlation with ultimate tensile strength in these alloys.
MATERIALS & DESIGN
(2023)
Article
Engineering, Manufacturing
M. F. N. Taufique, Martin Losada, Sebastien Hamel, Nir Goldman, Matthew J. DiTucci, Loubna Pagnotti, Daniel Willis, Matthew Torres, Ram Devanathan
Summary: To improve fuel economy, the automobile industry is incorporating more lightweight materials in car designs. However, adhesive developers lack a fundamental understanding of the chemistry that occurs in adhesives as joints age, which limits their ability to mitigate corrosion and thermal expansion issues. In this study, we developed molecular models for structural adhesives and applied simulations and calculations to gain insights into the influence of water molecules on the properties of epoxy-based adhesives. Experimental synthesis and characterization were also performed. The results highlight the impact of water molecules on the local structure of the epoxy network and the resulting mechanical properties.
INTEGRATING MATERIALS AND MANUFACTURING INNOVATION
(2023)
Article
Materials Science, Multidisciplinary
Ankit Roy, David J. Senor, Danny J. Edwards, Andrew M. Casella, Ram Devanathan
Summary: Radiation damage limits the use of high power proton beams in high energy physics research. The radiation damage in the alpha and beta-phases of Ti-6Al-4V and Ti-15V-3Cr-3Sn-3Al alloys was compared using simulation. The alpha-phase outperformed the beta-phase, suggesting that Ti-15V-3Cr-3Sn-3Al could be a promising candidate for next-generation beam window material.
JOURNAL OF NUCLEAR MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Ankit Roy, M. F. N. Taufique, Hrishabh Khakurel, Ram Devanathan, Duane D. Johnson, Ganesh Balasubramanian
Summary: The study uses machine-learning to down select corrosion-resistant alloys and optimize descriptors to predict the corrosion resistance of MPEAs. Findings demonstrate the potential and challenges of ML when applied to complex chemical phenomena like alloy corrosion.
NPJ MATERIALS DEGRADATION
(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)
