Article
Multidisciplinary Sciences
Alexander Bakaev, Giovanni Bonny, Nicolas Castin, Dmitry Terentyev, Viktor A. Bakaev
Summary: Ab initio simulations were used to evaluate the interaction strength of typical interstitial impurities with self-interstitial atoms, dislocation loops and edge dislocation lines in tungsten. The relevance of the study lies in the application of tungsten as first wall material in fusion reactors.
SCIENTIFIC REPORTS
(2021)
Article
Physics, Multidisciplinary
Peng-Wei Hou, Yu-Hao Li, Zhong-Zhu Li, Li-Fang Wang, Xingyu Gao, Hong-Bo Zhou, Haifeng Song, Guang-Hong Lu
Summary: The presence of helium significantly influences the evolution of irradiation-induced defects in tungsten, facilitating the recombination of vacancies and self-interstitial atoms while suppressing the growth of large vacancy clusters. This study highlights the important role of low-concentration impurities in the evolution of irradiation-induced defects and contributes to the understanding of tungsten performance under irradiation.
Article
Physics, Multidisciplinary
R. Rayaprolu, S. Moeller, I Spahn, D. Hoschen, Ch Linsmeier
Summary: In a pilot experiment, 16 MeV protons were used to irradiate 300 μm thick W samples to a damage dose of 0.006 dpa under low and high temperature conditions. The electronic loss in the sample was observed to be 1.5 MW·m(-2) in the pre-Bragg region. Post high-temperature irradiation, recrystallization of the W sample was observed, leading to a surface softening of 0.6 GPa.
Article
Materials Science, Multidisciplinary
Yu-Ze Niu, Yu-Hao Li, Qing-Yuan Ren, Zhong-Zhu Li, Dmitry Terentyev, Hui-Zhi Ma, Hong -Bo Zhou, Guang-Hong Lu
Summary: Based on the object kinetic Monte Carlo (OKMC) calculations and theoretical models, we have investigated the influence of carbon (C) impurity on the aggregation, migration, annihilation of neutron irradiation defects, and mechanical properties of tungsten (W). The addition of C promotes the aggregation of vacancy-type defects but inhibits interstitial-type defects in W. The influence of C on defect annihilation ratio is temperature-dependent. The concentration of C significantly affects the defect evolution and mechanical properties of irradiated W.
JOURNAL OF NUCLEAR MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Panpan Wang, Qilong Cao, Jie Hou, Xiang-Shan Kong, L. Chen, Z. M. Xie
Summary: In this study, we used accurate density functional theory parameterization to conduct object kinetic Monte Carlo simulations and investigate the retention behavior of H isotopes in tungsten. By comparing our simulations with existing experiments, we demonstrated the accuracy of the OKMC model in describing H implantation and desorption behavior in tungsten. The model revealed primary trapping sites and provided a deeper understanding of experimental results, while also offering a quantitative theoretical assessment for H implantation and desorption in tungsten.
JOURNAL OF NUCLEAR MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
M. Klimenkov, M. Duerrschnabel, U. Jaentsch, P. Lied, M. Rieth, H. C. Schneider, D. Terentyev, W. Van Renterghem
Summary: Pure W material was neutron irradiated at temperatures ranging from 600°C to 1200°C, resulting in the formation of voids, dislocation loops, and W-Re-Os containing precipitates. The microstructure analysis revealed the detailed structure of these defects, including the size and distribution of voids, precipitates, and loops. Additionally, chemical and structural analysis showed that the defects were surrounded by a solid solution cloud enriched with Re and Os, and nanoscale chemical analysis identified differences in Re/Os segregation at and near the defects.
JOURNAL OF NUCLEAR MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
Masafumi Akiyoshi, Lauren M. Garrison, Josina W. Geringer, Hsin Wang, Akira Hasegawa, Shuhei Nogami, Yutai Katoh
Summary: The Japan-US PHENIX project irradiated tungsten materials in the HFIR reactor using Gd shielding to absorb thermal neutrons. The thermal diffusivity of irradiated specimens was compared at different temperatures and annealing conditions, showing limited contribution of crystalline defects to the degradation of thermal diffusivity. The results indicated that the thermal diffusivity of irradiated specimens approached that of unirradiated specimens at elevated temperatures.
JOURNAL OF NUCLEAR MATERIALS
(2021)
Article
Chemistry, Physical
Hanns Gietl, Takaaki Koyanagi, Xunxiang Hu, Makoto Fukuda, Akira Hasegawa, Yutai Katoh
Summary: This study provides experimental evidence of radiation-enhanced recrystallization in tungsten and undoped tungsten-rhenium alloys under fusion-relevant environments. It is found that potassium or lanthanum doping in tungsten alloys improves resistance to radiation-enhanced grain growth. The study also highlights the importance of considering radiation-enhanced recrystallization in the design and application of tungsten plasma-facing components in future nuclear fusion reactors.
JOURNAL OF ALLOYS AND COMPOUNDS
(2022)
Article
Materials Science, Multidisciplinary
D. Da Fonseca, F. Onimus, F. Mompiou, M. -C. Marinica, E. de Sonis, E. Clouet, T. Jourdan
Summary: This study investigates the influence of elastic properties of point defects on dislocation climb under stress and irradiation. The elastic dipole tensors and diaelastic polarizabilities of vacancies and self-interstitial atoms in aluminum are evaluated using density functional theory calculations. These parameters are then incorporated into a Monte Carlo code and a diffusion model to estimate the stress dependence of dislocation climb. The results show that both parameters have an influence on point defect absorption under stress, with the dipole tensor effect only being 5 times larger than the polarizability effect. Additionally, considering polarizability is necessary for simulations under applied stress.
Article
Materials Science, Multidisciplinary
D. Terentyev, C. Yin, A. Dubinko, C. C. Chang, J. H. You
Summary: In this study, neutron irradiation and subsequent hardness measurements were performed on tungsten grades at temperatures reaching up to 1200 degrees C. The results showed that even at one third of the melting point, neutron exposure can increase hardness by 40% to 70%, depending on the grade. Transmission electron microscopy analysis revealed that the hardening at 1200 degrees C is mainly attributed to the presence of dislocation loops and a high density of voids.
INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS
(2021)
Article
Chemistry, Physical
Ghadeer H. Al-Malkawi, Al-Montaser Bellah A. Al-Ajlony, Khaled F. AL-Shboul
Summary: The interactions of low energy He and Ar ions with pure W target were simulated using a new Monte-Carlo-based computer code, which showed higher accuracy than the TRIM simulation program. The code used detailed numerical solutions for evaluating the binary collision process, providing more accurate sputtering yield data. The simulation results were compared with experimental data, and a new approach with a reduced atomic displacement threshold enhanced the accuracy of the simulation results.
RADIATION PHYSICS AND CHEMISTRY
(2024)
Article
Physics, Multidisciplinary
Bahar Salajeghe, Reza PourimaninAff, Mostafa HassanzadehnAff
Summary: For the long-term use of nuclear energy program, it is essential to control and manage the nuclear waste produced in a reactor. In recent decades, the transmutation of long-lived fission products (LLFPs) using accelerator driven systems (ADS) has been studied and developed as a method to reduce radioactive contamination from spent fuel. This study proposes a response function consistent with the physics models used in the MCNPX code to estimate the transmutation rate of I-129 in ADS with protons and spallation neutrons.
EUROPEAN PHYSICAL JOURNAL PLUS
(2022)
Article
Computer Science, Information Systems
Weitao Yang, Yonghong Li, Yang Li, Zhiliang Hu, Jiale Cai, Chaohui He, Bin Wang, Longsheng Wu
Summary: The reliability of nanoscale electronic systems is being compromised by atmospheric neutrons. In this study, a Xilinx Zynq-7000 system on a chip was subjected to spallation neutron irradiations to investigate its vulnerability to atmospheric neutrons. It was found that using a 2 mm Cd sheet could partially protect against single event effects. The presence of B and Hf elements in the chip was also evaluated, with B-10 being identified as the primary cause of thermal neutron-induced single event effects.
Article
Physics, Multidisciplinary
ChihCheng Chang, Dmitry Terentyev, Aleksandr Zinovev, Wouter Van Renterghem, Chao Yin, Patricia Verleysen, Thomas Pardoen, Monika Vilemova, Jiri Matejicek
Summary: The study evaluated the microstructure and hardness of four tungsten grades before and after neutron irradiation, investigating the influence of microstructure on neutron damage accumulation, characterizing through various experimental techniques.
Article
Nuclear Science & Technology
Paul K. Romano, Colin J. Josey, Andrew E. Johnson, Jingang Liang
Summary: An depletion solver has been implemented in OpenMC, which interfaces with the transport solver through a C++ API and uses various integration methods for advancing in time. The matrix exponential is evaluated using the incomplete partial fraction form of the Chebyshev rational approximation method. Simulations of a PWR pincell and a SFR assembly show that high-fidelity depletion chains lead to consistent predictions between OpenMC and Serpent.
ANNALS OF NUCLEAR ENERGY
(2021)
Article
Physics, Condensed Matter
J. Byggmastar, F. Granberg, A. E. Sand, A. Pirttikoski, R. Alexander, M-C Marinica, K. Nordlund
JOURNAL OF PHYSICS-CONDENSED MATTER
(2019)
Article
Materials Science, Multidisciplinary
D. R. Mason, A. E. Sand, S. L. Dudarev
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
(2019)
Article
Chemistry, Physical
Andrea E. Sand, Rafi Ullah, Alfredo A. Correa
NPJ COMPUTATIONAL MATERIALS
(2019)
Review
Physics, Multidisciplinary
J. -Ch. Sublet, I. P. Bondarenko, G. Bonny, J. L. Conlin, M. R. Gilbert, L. R. Greenwood, P. J. Griffin, P. Helgesson, Y. Iwamoto, V. A. Khryachkov, T. A. Khromyleva, A. Yu. Konobeyev, N. Lazarev, L. Luneville, F. Mota, C. J. Ortiz, D. Rochman, S. P. Simakov, D. Simeone, H. Sjostrand, D. Terentyev, R. Vila
EUROPEAN PHYSICAL JOURNAL PLUS
(2019)
Article
Physics, Applied
Daniel R. Mason, Duc Nguyen-Manh, Mihai-Cosmin Marinica, Rebecca Alexander, Andrea E. Sand, Sergei L. Dudarev
JOURNAL OF APPLIED PHYSICS
(2019)
Article
Materials Science, Multidisciplinary
Utkarsh Bhardwaj, Andrea E. Sand, Manoj Warrier
COMPUTATIONAL MATERIALS SCIENCE
(2020)
Article
Materials Science, Multidisciplinary
N. Castin, A. Dubinko, G. Bonny, A. Bakaev, J. Likonen, A. De Backer, A. E. Sand, K. Heinola, D. Terentyev
JOURNAL OF NUCLEAR MATERIALS
(2019)
Article
Materials Science, Multidisciplinary
G. Bonny, N. Castin, A. Bakaev, A. E. Sand, D. Terentyev
COMPUTATIONAL MATERIALS SCIENCE
(2020)
Article
Physics, Fluids & Plasmas
B. Wielunska, M. Mayer, T. Schwarz-Selinger, A. E. Sand, W. Jacob
Article
Materials Science, Multidisciplinary
Utkarsh Bhardwaj, Andrea E. Sand, Manoj Warrier
Summary: The characterization of defect morphology is crucial in understanding the evolution of crystal microstructure in response to stress. While existing computational algorithms can efficiently find defect concentration and size distribution, the identification of defect morphology remains limited. Our proposed algorithm, based on graph theoretical concepts, offers a comprehensive and efficient solution for precisely characterizing defect morphology, particularly in identifying different homogeneous components within defect clusters with mixed morphology. Applying the method to classify morphologies of point defect clusters produced in high energy W collision cascades showcases its advantages in completeness, computational speed, and detailed quantitative analysis.
COMPUTATIONAL MATERIALS SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
Utkarsh Bhardwaj, Andrea E. Sand, Manoj Warrier
Summary: The study compared the morphologies of defects in primary radiation damage caused by high energy collision cascades simulated using three different interatomic potentials, finding that the discrepancies in defect morphology predictions were much stronger than the differences in predicted defect numbers.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
(2021)
Article
Materials Science, Multidisciplinary
Marcelo Roldan, Fernando Jose Sanchez, Pilar Fernandez, Christophe J. Ortiz, Adrian Gomez-Herrero, David Jimenez Rey
Summary: In a study on high-energy self-ion irradiation experiments on two types of pure Fe samples, significant differences were found in the formation of dislocation loops between thin films and bulk samples, which would aid in validating computational simulations of defect evolution in alpha iron thin films.
Article
Materials Science, Multidisciplinary
Utkarsh Bhardwaj, Andrea E. Sand, Manoj Warrier
Summary: This study investigates the thermal stability and transition mechanism of (100) dislocations in irradiated W, revealing the activation energy required for the transition to more stable (111) dislocations. The stability of (100) dislocations increases with size, but not strictly. The internal configuration and inter-atomic potentials are found to affect the stability of the defects.
JOURNAL OF NUCLEAR MATERIALS
(2022)
Article
Materials Science, Multidisciplinary
A. Fellman, A. E. Sand
Summary: This study investigates the effect of different primary recoil energies on defect formation in tungsten through molecular dynamics simulations. It is found that pre-existing radiation-induced defects modify the number of additional defects formed during cascades. Furthermore, the formation of dislocation loops in cascades is more dependent on the size of pre-existing voids rather than the energy of the primary recoil.
JOURNAL OF NUCLEAR MATERIALS
(2022)
Article
Multidisciplinary Sciences
Max Boleininger, Daniel R. Mason, Andrea E. Sand, Sergei L. Dudarev
Summary: Below the onset of vacancy migration, metals exposed to energetic ions develop fluctuating steady-state microstructures. The statistical properties of these microstructures in the high exposure limit depend on the energy and mass of the incident ions. A model is developed to describe the microstructure of an ion-irradiated metal under athermal conditions, where internal stress fluctuations dominate the structural evolution kinetics. The model predicts that low energy ions produce more damage than high energy ions at comparable levels of radiation exposure.
SCIENTIFIC REPORTS
(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)