Article
Nanoscience & Nanotechnology
H. B. Peng, J. B. Zhang, L. X. Sun, F. Song, X. G. An, H. Wang, Y. H. Wen
Summary: The shape memory effect of Fe-Mn-Si-Cr-Ni-C shape memory alloys can be significantly improved by aging after pre-strain. However, the effect of aging time on the shape memory effect under a large deformation-strain is not evident.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2022)
Article
Nanoscience & Nanotechnology
J. Ballor, A. A. Shawon, A. Zevalkink, T. Sunaoshi, S. Misture, C. J. Boehlert
Summary: The study investigates the microstructural evolution and mechanical properties of Ti-11Cr alloys by adding iron and aluminum. The results show that iron reduces the volume fraction of omega and alpha phases, while aluminum inhibits the beta-to-omega transformation. Alloys containing omega phase exhibit higher shear modulus and hardness.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2023)
Article
Chemistry, Physical
Jin Min, Yanhua Guo, Jingzhe Niu, Juexian Cao, Zhonggang Sun, Hui Chang
Summary: This study investigates the impact of iron on the stability of beta-Ti and the phase transition between alpha, beta, and omega phase through first-principle calculations. The results show that iron is a strong beta-Ti stabilizer, facilitating phase transition and providing a solid foundation for the future design of high-strength titanium alloys incorporating iron.
Article
Nanoscience & Nanotechnology
Haruka Shima, Manami Mori, Kenta Yamanaka, Kazuo Yoshida, Toshihiro Yamazaki, Akihiko Chiba
Summary: In this study, significant hardening was achieved in a Co-, Cu-modified Ni-Cr-Mo alloy under appropriate cold swaging/aging conditions, resulting in exceptional hardness (HV599) and improved corrosion performance through nanoscale segregation mechanisms and fine dispersion of Cu precipitates.
SCRIPTA MATERIALIA
(2022)
Article
Chemistry, Physical
Rohit Ojha, Kaustubh Kulkarni, Thomas Helander, K. C. Hari Kumar
Summary: The phase equilibria in the Fe-Cr-Ni-Al system were investigated at different temperatures using diffusion couple technique, showing formation of different phases at different temperatures. Thermodynamic calculations using different database combinations were compared to experimental results to predict phase formation under specific conditions.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Materials Science, Multidisciplinary
Zhaolong Xiang, Lin Zhang, Yan Xin, Bailing An, Rongmei Niu, Masoud Mardani, Theo Siegrist, Jun Lu, Robert E. Goddard, Tiannan Man, Engang Wang, Ke Han
Summary: The application of an external magnetic field during heat treatment affects the hardness of magnetic Fe-Cr-Co alloys. Spinodal decomposition increases hardness and introduces micro structural anisotropy desired for permanent magnet applications.
MATERIALS & DESIGN
(2021)
Article
Energy & Fuels
Lu Wu, Jiantao Qin, Vasyl O. Kharchenko, Dmitrii O. Kharchenko, Oleg B. Lysenko
Summary: A phase field model is developed to investigate the dynamics of microstructure transformations and defect structure evolution in Fe-Cr-Al systems during heat treatment. Statistical and kinetic properties of evolving microstructure and defect structure were studied for alloys with different alloying elements and temperatures. The rearrangement of point defects during precipitation is discussed in detail. The universality of statistical distributions over precipitate size is revealed for the investigated alloys.
FRONTIERS IN ENERGY RESEARCH
(2023)
Article
Materials Science, Multidisciplinary
S. M. Dubiel, J. Zukrowski
Summary: The study aimed to determine the position of the Fe-rich border of the metastable miscibility gap (MMG) and the solubility limit of Cr in iron at 858 K. The results showed that the transformation process occurred in two stages, with the first stage associated with phase decomposition and the second stage associated with the alpha-to-sigma phase transformation. The most reliable estimation of the MMG position and the Cr solubility limit were obtained from the annealing time dependence of the average hyperfine field, with values of 24.5 at. pct Cr for the former and 20.3 at. pct Cr for the latter. A comparison with recent phase diagrams of the Fe-Cr system was conducted.
METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
V. Vojtech, M. Charilaou, A. Kovacs, A. Firlus, S. S. A. Gerstl, R. E. Dunin-Borkowski, J. F. Loeffler, R. E. Schaeublin
Summary: The Fe-Cr alloy system can undergo phase separation and embrittlement when exposed to elevated temperatures and radiation, affecting its magnetic properties. By studying the microstructural decomposition induced by annealing, it is found that increasing annealing time leads to increased hardness, magnetic saturation, and coercivity.
Article
Chemistry, Physical
Lenka Rehackova, Vlastimil Novak, Petra Vanova, Dalibor Matysek, Katerina Konecna, Bedrich Smetana, Jana Dobrovska
Summary: The interaction between Fe-C-O-Cr alloys with varying chromium and carbon content and a ceramic substrate high in Al2O3 content was studied through experimental wettability tests. The wetting angles were found to increase with higher chromium and carbon content, with carbon (>0.1 wt%) in the alloys affecting structural changes in the substrate surface. The original corundum phase was replaced by new phases such as hibonite, grossite, and larnite, with hibonite being the most predominant.
JOURNAL OF ALLOYS AND COMPOUNDS
(2021)
Article
Chemistry, Physical
Saijian Ajia, Hirotaka Asa, Yuichiro Toyoda, Mitsuharu Sato, Masashi Matsuura, Nobuki Tezuka, Satoshi Sugimoto
Summary: The alternative application of Fe-Cr-Co magnetic alloys as microwave absorption materials was investigated. Composite samples of Fe-25Cr-12Co powder with resin were prepared and their microwave absorption properties in the gigahertz (GHz) band were evaluated. It was found that the complex permeability of the composites could be adjusted by the final aging temperature, showing potential advantages for microwave absorption applications in the GHz frequency range.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Materials Science, Multidisciplinary
Ali Shafiei
Summary: A new method was proposed to predict the compositions of EHEAs in the Al-Co-Cr-Fe-Ni system, by designing new eutectic or near-eutectic alloys through mixing alloys located on the same eutectic line. Compositional maps were created to show the relations between constituent elements in eutectic alloys, suggesting that EHEAs are derived from binary and ternary eutectic alloys. The proposed diagrams can be considered as convenient methods for evaluating the composition of EHEAs in the Al-Co-Cr-Fe-Ni system.
METALS AND MATERIALS INTERNATIONAL
(2021)
Article
Materials Science, Multidisciplinary
Yuchen Wang, Changjun Wu, Ya Liu, Mengyun Tian, Xiaowang Lu, Xuping Su
Summary: The presence of HCP phase in FCC-type high-entropy alloys can enhance their mechanical properties, which is usually induced by deformation. In this study, CoxCrFeMnNi2-x alloys were investigated after vacuum treatment, and it was observed that FCC to HCP transition occurred during cooling for alloys with x ≥ 1.5. The volume fraction of HCP phase increased with Co content, but HCP phase was not stable above 600°C. Experimental tests showed that the Co1.75CrFeMnNi0.25 alloy had a microhardness of 213 HV due to the substantial HCP phase present, significantly higher than other non-HCP-containing alloys. These findings offer guidance for designing FCC-type high-entropy alloys with desirable mechanical properties through HCP phase strengthening.
Article
Nanoscience & Nanotechnology
Huawei Zhang, Jie Pan, Jun Li, Zhigang Cai, Jiewei Zhang, Ping Cao, Cheng Su, Xueshan Xiao
Summary: The precipitation behavior and tensile properties of Fe-13Cr-6Al-2Mo-xNb alloys for fuel cladding materials were investigated during aging at 475 degrees C up to 8000 h. The study found that the precipitation of different phases and their types changed with Nb content, significantly affecting the mechanical properties of the alloys.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2021)
Review
Materials Science, Multidisciplinary
Stanislaw M. Dubiel
Summary: This article reviews the applications of Mossbauer spectroscopy in the investigation of Fe-Cr alloys, particularly focusing on its importance in crystallography and magnetic phase diagrams. It discusses the relevance of Mossbauer spectroscopy in determining phase boundaries, phase decomposition kinetics, and magnetic transitions. The use of Mossbauer spectroscopy in studying changes in spin and charge densities induced by neighboring Cr atoms and the effects of different heat treatments and strain on the distribution of Cr atoms in the Fe matrix is demonstrated. It also highlights the application of Mossbauer spectroscopy in determining Curie and Debye temperatures in sigma-FeCr alloys.
CRITICAL REVIEWS IN SOLID STATE AND MATERIALS SCIENCES
(2023)
Article
Materials Science, Multidisciplinary
Xing-Chao Wu, Yong-Sheng Li, Wei Liu, Zhi-Yuan Hou, Meng-Qiong Huang
Summary: This study investigates the precipitation dynamics of the γ' phase in Ni-Al alloy and the composition interfacial width between γ and γ' phases using phase field simulation and CALPHAD method. The results reveal that the morphology of the γ' phase changes as the aging temperature increases, and the particle size distribution follows a certain pattern. The composition interfacial width decreases with aging but increases with temperature.
Article
Materials Science, Multidisciplinary
Xi Chen, Yongsheng Li, Zhengwei Yan, Shujing Shi, Dong Wang, Kunwu Lai, Jing Chen
Summary: Bimodal precipitation with primary and secondary gamma ' phase in Ni-17 at.% Al alloys can be achieved through preaging and continuous cooling, leading to morphology and composition evolution of gamma ' phase during cooling process. With increasing cooling rates, the volume fraction and average radius of gamma ' phase decrease, the number density increases, and the inter-distance of particle size distribution widens. Prolonged isothermal preaging reduces the precipitation and growth of secondary gamma ' phase, optimizing the precipitates morphology of the alloy.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
(2021)
Article
Materials Science, Multidisciplinary
Kun-Wu Lai, Shu-Jing Shi, Zheng-Wei Yan, Yong-Sheng Li, Sheng-Shun Jin, Dong Wang, Shahid Maqbool
Summary: The morphology and kinetics evolution of the gamma '(Ni3Al) phase during re-dissolution were studied in Ni-15 at% Al alloy, showing that the interdistance of the neighboring gamma ' phase affects the interface concentration gradient of Al, which dominates the growth or re-dissolution of the gamma ' phase particle.
Article
Materials Science, Multidisciplinary
Zihao Cheng, Yongsheng Li, Shiyan Pan, Zhengwei Yan, Xiaoyuan Zhang, Huiyu Wang
Summary: Nanoscale Cu clusters and alpha ' phase affect the hardness and brittleness of Fe-Cr-based stainless steel. The separation of Cr-enriched nanoscale alpha ' phase with Cu shell in Fe-Cr-Al-Cu alloys was revealed by three-dimensional phase-field simulation. The influences of Cu content and temperature on the evolution kinetics and element distribution were clarified.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2022)
Article
Materials Science, Multidisciplinary
Shahid Maqbool, Yongsheng Li, Suleman Muhammad, Zhengwei Yan
Summary: The study demonstrates that radiation-enhanced diffusion is influenced by the migration energy of vacancy, with low migration energy accelerating precipitation and the combination of lowest dose rate and highest migration energy delaying precipitation. Additionally, the migration energy of vacancy affects the radius of Cu precipitates, increasing it up to one-third for the lowest migration energy.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
(2021)
Article
Engineering, Mechanical
Xinwen Tong, Yongsheng Li, Zhengwei Yan, Dong Wang, Shujing Shi
Summary: This study analyzed the effects of alternating strain on the morphology and composition evolution of nanoscale phases using phase-field simulation, finding a special effect of forming nanoscale lamellar structures in multilayer alloys.
INTERNATIONAL JOURNAL OF MECHANICS AND MATERIALS IN DESIGN
(2022)
Article
Materials Science, Multidisciplinary
Yongsheng Li, Weijin Zhao, Xi Chen, Peng Sang, Yinfei Ju
Summary: The precipitation and evolution of secondary y'-Ni3Al phase under tensile stress in Ni17at.% Al alloy were studied using phase-field simulation. The coarsening of secondary y' phase via Ostwald ripening and coalescence coarsening was observed in a bimodal y' precipitate system. The study also revealed concentration inhomogeneity inside the primary and secondary y' phase under the influence of tensile stress. Additionally, the tensile stress induced directional diffusion of Al, resulting in high concentration at the boundary regions of the y' phase and the formation of N-type rafting.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2022)
Article
Engineering, Mechanical
Shujing Shi, Yongsheng Li, Zhengwei Yan, Shuaige Yang, Yinfei Ju
Summary: By introducing the digitized image of SEM morphology into phase-field simulation, the rafting behaviors of the L12 gamma'-Co3(Al, V) phase and the creep properties of Co-5Al-14V (at.%) alloy under various strains were studied. It was found that uniaxial compressive strain improves microstructural stability and creep resistance. The creep resistance is higher when the alloy is in a state of equilibrium volume fraction of gamma' phase, and it increases in order of tensile strain, compressive strain, and shear strain. The study also revealed the correlation between slip system anisotropy and creep behaviors of Co-Al-V alloy under external strain.
INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
(2022)
Article
Materials Science, Multidisciplinary
Yong-Sheng Li, Hui-Yu Wang, Jing Chen, Shuai-Ge Yang, Peng Sang, Hong-Li Long
Summary: The study found that under different temperature gradients, the interdiffusion interface of Ni-Al-Cr/Ni-Al-Cr layered alloys forms a precipitate-free zone, and elements exhibit different diffusion behaviors depending on the Cr or Al concentrations.
Article
Materials Science, Multidisciplinary
Zan Zhang, Weijin Zhao, Suleman Muhammad, Peng Sang, Ye Shan, Yongsheng Li
Summary: Grain boundary migration and dislocation movement are essential mechanisms for deformation and strengthening of alloys. By studying the process of dislocation slipping and reactions, the migration and grain reproduction at the atomic scale have been revealed.
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
(2023)
Article
Materials Science, Multidisciplinary
Jiahao Wang, Shiyan Pan, Yongshen Li, Xiaoping Shen, Qingyu Zhang, Di Jia
Summary: A quantitative multi-phase field model is used to simulate the peritectic reaction in Fe-Ni alloys at low undercoolings. The remelting of delta-ferrite and solute mixing contribute to rapid growth of gamma-platelet. A new Pe' clet number based on the lateral shift is introduced to quantify the rate of remelting and its impact on the reaction. The diffusion-controlled mechanism is investigated by studying the scaling relations between undercooling and tip properties.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Yongsheng Li, Hongli Long, Xiaoyuan Zhang, Shujing Shi, Peng Sang, Zan Zhang
Summary: The L12-γ′-Co3(Al, W) phase in Co-based superalloys improves the creep properties and oxidation resistance. However, the γ′ phase in Co-Al-W superalloy becomes unstable at high temperature and transforms into the strip-shaped D019-χ-Co3W phase. This study investigates the transformation mechanism and kinetics of the χ phase in Co-8.25Al-10W (at.%) superalloy with γ+γ′ phases.
COMPUTATIONAL MATERIALS SCIENCE
(2023)
Article
Materials Science, Multidisciplinary
Zan Zhang, Jicheng Zhuo, Jiachen Kang, Dejian Sun, Yongsheng Li
Summary: The low-cost and high-performance FGH4096 superalloy was prepared by using the hot oscillatory pressure (HOP) sintering method to replace high-cost fine powder particles with coarse particles. The study investigated the effects of powder particle size on the grain size and mechanical properties of the superalloy. The results showed that the HOP samples with coarse powder exhibited higher tensile strength and elongation compared to the samples prepared by hot-press with finer powder. Additionally, HOP sintering effectively inhibited prior particle boundaries (PPB) in powder metallurgy superalloys, providing a strategy for low-cost and high-performance superalloys.
Article
Chemistry, Physical
Shahid Maqbool, Yongsheng Li, Suleman Muhammad, Zhengwei Yan, Shujing Shi
Summary: The study investigates the effects of irradiation conditions on Cu precipitation in binary Fe-Cu alloys. Simulation results show that an increase in damage rate leads to an increase in defect concentration, accelerates precipitation kinetics, and stabilizes precipitates even at high damage rates.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Chemistry, Physical
Suleman Muhammad, Yongsheng Li, Zhengwei Yan, Shahid Maqbool, Shujing Shi, Iltaf Muhammad
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2020)
Article
Materials Science, Multidisciplinary
Liuming Wei, Jingwen Li, Yonggang Li, Qirong Zheng, Fan Cheng, Chuanguo Zhang, Jingyu Li, Gaofeng Zhao, Zhi Zeng
Summary: This study investigates the influence of He-V complexes on H behaviors on different W surfaces using DFT calculations. The results show that H dissolution is most difficult but H trapping is easiest on the W (110) surface, while the opposite is true on the W (111) surface. Moreover, the presence of He-V complexes increases the difficulty of H diffusion from bulk to surface and desorption.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Yan Meng, Song Zeng, Chen Chen, Chaowen Zhu, Huahai Shen, Xiaosong Zhou, Xiaochun Han
Summary: The characteristics of magnetron sputtered Cr coatings vary with different temperature, bias voltage, and pressure. Coatings with random orientation, good crystallinity, and small grain size exhibit favorable oxidation behavior, while coatings with strong (200) texture, poor crystallinity, and large grains have many intrinsic defects that are detrimental to the protection property of the Cr coatings.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Xinyuan Xu, Zefeng Yu, Wei-Ying Chen, Aiping Chen, Arthur Motta, Xing Wang
Summary: This study presents an automated approach for characterizing grain morphology in TEM images recorded during ion irradiation. By combining a machine learning model and a computer vision algorithm, comparable results to human analysis can be achieved with significantly reduced analysis time. Researchers can train their own models following the procedures described in this study to automate grain morphology analysis of their own TEM images.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Shihao Wu, Dong Wang, Yapei Zhang, Koji Okamoto, Marco Pellegrini, Wenxi Tian, Suizheng Qiu, G. H. Su
Summary: The oxidation and degradation mechanisms of Cr coating on Zr alloy cladding under high temperature steam atmosphere are summarized, and a mathematical analysis model is established to predict the changes in coating thickness. The model is applied in the analysis of structure evolution under different conditions.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
V. Diaz-Mena, J. de Prado, M. Roldan, I. Izaguirre, M. Sanchez, M. Rieth, A. Urena
Summary: The brazeability of a cupronickel alloy was evaluated as a filler alloy for high-temperature joining of tungsten to steel. The study investigated the brazing conditions and the impact of the selected filler on the joint quality using numerical software. The results showed different metallurgical interactions and diffusion phenomena between the filler alloy and the base materials at different temperatures. The study emphasized the importance of selecting a suitable filler to mitigate residual stresses in the joints.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Pengcheng Zhu, Yajie Zhao, Yan-Ru Lin, Jean Henry, Steven J. Zinkle
Summary: This study investigates the effect of heavy-ion irradiation on radiation hardening in high-purity binary alloy Fe18Cr. Nanoindentation testing and high-quality TEM imaging were conducted to extract hardness and microstructure information. The strength factor was accurately calculated based on the detailed TEM characterization of irradiated microstructures, and a refined hardening superposition method was applied to quantify the mechanical properties of ion-irradiated materials.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Bin Wu, Haixia Ning, Hanzhen Zhu, Jianjun Chen, Kang Wang, Daiyu Zhang, Fu Wang, Qilong Liao
Summary: This study discusses the effects of ZrO2 and B2O3 on the phase composition and properties of SAP-based glass-ceramics. The results show that ZrO2 addition improves the formation of NZP phase while restricting the crystallization of AlPO4 phases. The correct ratios of ZrO2 and B2O3 allow only the formation of NZP phase within the SAP glass.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Hwasung Yeom, Greg Johnson, Benjamin Maier, Tyler Dabney, Kumar Sridharan
Summary: Cr-Nb bilayer coatings were developed using cold spray deposition to improve the limiting operational temperature of Cr-coated Zr-alloy system. The coatings exhibited outstanding oxidation resistance at high temperatures and formed continuous intermetallic compound layers at the interfaces.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Padhraic L. Mulligan, Andrew T. Nelson, Chad M. Parish, Patrick A. Champlin, Xiang Chen, Daniel Morrall, Jason M. Harp
Summary: Environmental barrier coatings are being developed to reduce oxidation and embrittlement in Zr-based materials. Chromium nitride is a candidate for this application, but understanding its impact on irradiation-induced creep and microstructure is critical.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Dexuan Yan, Xinlei Cao, Ke Shen
Summary: This study investigated the purification mechanism of polycrystalline graphite by comparing IG-11 graphite with IG-110 nuclear grade graphite. The analysis revealed that metallic impurities in IG-11 were primarily segregated within graphite porosities, while IG-110 demonstrated a significant reduction in impurities. This research contributes to the development of innovative graphite purification techniques for greater purity and stronger oxidation resistance.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Wei Xu, Wei Peng, Lei Shi, Qi Sun
Summary: This paper investigates the oxidation and shape evolution of matrix graphite in high temperature gas-cooled reactors during air-ingress accidents. A reaction kinetics model is established and computational fluid dynamics with a dynamic mesh method is used to simulate the oxidation process. The results show that the geometric shape of graphite changes significantly with increasing flow rate, and the graphite pebbles tend to form a structure with a narrow front and wide tail.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Allison Harward, Casey Elliott, Michael Shaltry, Krista Carlson, Tae-Sic Yoo, Guy Fredrickson, Michael Patterson, Michael F. Simpson
Summary: This paper investigates the hygroscopic properties of eutectic LiCl-KCl absorbed into zeolite-4A. The study finds that water absorption and corrosion worsen with increasing salt loading. It also suggests that the salt can be stored in a non-inert atmosphere for a certain period of time.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Takaaki Koyanagi, Xunxiang Hu, Christian M. Petrie, Gyanender Singh, Caen Ang, Christian P. Deck, Weon-Ju Kim, Daejong Kim, James Braun, Yutai Katoh
Summary: This study provides critical experimental data on the effects of irradiation on the hermeticity of SiC composite cladding, finding that irradiation can cause a decrease in hermeticity and cracking, and coating the outer surface can mitigate the cracking issue.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
S. Krat, A. Prishvitsyn, Yu. Gasparyan
Summary: This study proposes a probabilistic and diffusion-based model to describe the co-deposition of multiple hydrogen isotopes with slowly grown metal layers. The model calculates the relative concentrations of different hydrogen isotopes in the co-deposited metal layers. It is found that if hydrogen isotopes have different detrapping energies, only the isotope with the highest detrapping energy shows a monotonic decrease in concentration with deposition temperature. Furthermore, the study evaluates the uncertainty of tritium concentration in the co-deposited layer based on the uncertainty in detrapping energy of tritium and deuterium, predicting a >10% tritium concentration uncertainty for a 0.01 eV difference.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Tijo Vazhappilly, Arup Kumar Pathak
Summary: This study investigates the effect of Ce atom substitution in UO2 on its thermophysical properties using density functional theory. The results show that the Ce substitution levels and the oxidation state of Ce/U atoms strongly influence the band structure and specific heat capacity of the UO2 lattice. These findings provide important insights into the fuel properties of UO2 under reactor conditions.
JOURNAL OF NUCLEAR MATERIALS
(2024)
