4.7 Article

Temperature dependence of underdense nanostructure formation in tungsten under helium irradiation

Journal

JOURNAL OF NUCLEAR MATERIALS
Volume 490, Issue -, Pages 108-114

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ELSEVIER
DOI: 10.1016/j.jnucmat.2017.04.021

Keywords

Tungsten; Helium irradiation; Fuzz nanostructures; OKMC simulations; Temperature

Funding

  1. Spanish MINECO [ENE-2012-39787-C06-03]
  2. Euratom research and training programme [633053]

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Recently, tungsten has been found to form a highly underdense nanostructured morphology (W fuzz) when bombarded by an intense flux of He ions, but only in the temperature window 900-2000 K. Using object kinetic Monte Carlo simulations (pseudo-3D simulations) parameterized from first principles, we show that this temperature dependence can be understood based on He and point defect clustering, cluster growth, and detrapping reactions. At low temperatures (<900 K), fuzz does not grow because almost all He is trapped in very small He-vacancy clusters. At high temperatures (>2300 K), all He is detrapped from clusters, preventing the formation of the large clusters that lead to fuzz growth in the intermediate temperature range. (C) 2017 Elsevier B.V. All rights reserved.

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Effect of surface morphology on Tungsten sputtering yields

Alvaro Lopez-Cazalilla, Joonas Jussila, Kai Nordlund, Fredric Granberg

Summary: Nuclear fusion is a promising concept for future energy production, offering endless fuel and no greenhouse effects. However, developing new materials and understanding their behavior is crucial for the successful construction of a fusion reactor. This study focuses on the sputtering of different tungsten surfaces under various conditions, using molecular dynamics simulations to gain a deeper understanding of the process. The evolution of W fuzz cells and the impact of surface feature height on erosion and sputtering under ion irradiation are also investigated.

COMPUTATIONAL MATERIALS SCIENCE (2023)

Article Physics, Applied

Effect of lattice voids on Rutherford backscattering dechanneling in tungsten

Xin Jin, Flyura Djurabekova, Miguel Sequeira, Katharina Lorenz, Kai Nordlund

Summary: In this study, we used a simulation approach to investigate the dechanneling induced by voids with different shapes in tungsten. We found that the dechanneling cross section of large voids can be described by the product of the minimum yield and the area projected from the void to the target surface, as suggested by analytical models. However, this method overestimates the dechanneling induced by small voids, and there are significant differences between voids and stacking faults in terms of dechanneling.

JOURNAL OF PHYSICS D-APPLIED PHYSICS (2023)

Review Materials Science, Multidisciplinary

Recent progress on understanding the temperature-dependent irradiation resistance ranking among NiFe, NiCoCr, and NiCoFeCr alloys: A review

G. Velisa, F. Granberg, E. Levo, Y. Zhou, Z. Fan, H. Bei, F. Tuomisto, K. Nordlund, F. Djurabekova, W. J. Weber, Y. Zhang

Summary: Systematic temperature-effects investigations on damage evolution in ion-irradiated Ni-based concentrated solid-solution alloys are crucial for ensuring their reliability in nuclear applications. By comparing experimental and theoretical data on equiatomic NiFe, NiCoCr, and NiCoFeCr alloys, as well as new ion channeling results on ion-irradiated NiCoFeCr at 500 K, we suggest that the lower migration energy of vacancies in NiCoCr is the reason why it is no longer outperforming NiFe under ion irradiation above 300 K, as supported by independent theoretical calculations and TEM results from the literature.

JOURNAL OF MATERIALS RESEARCH (2023)

Article Materials Science, Multidisciplinary

Efficient atomistic simulations of radiation damage in W and W-Mo using machine-learning potentials

Mikko Koskenniemi, Jesper Byggmastar, Kai Nordlund, Flyura Djurabekova

Summary: In this study, a faster version of the Gaussian approximation potential (GAP), known as tabulated GAP (tabGAP), is validated by modeling primary radiation damage in 50-50 W-Mo alloys and pure W using classical molecular dynamics. The results show that W-Mo exhibits similar surviving defect numbers as pure W, but with more efficient recombination of defects. TabGAP is found to be two orders of magnitude faster than GAP while producing comparable defect numbers and cluster sizes, albeit with a small difference in the fraction of bound interstitials.

JOURNAL OF NUCLEAR MATERIALS (2023)

Article Materials Science, Multidisciplinary

Formation of parallel and perpendicular ripples on solid amorphous surfaces by ion beam-driven atomic flow on and under the surface

Alvaro Lopez-Cazalilla, Kai Nordlund, Flyura Djurabekova

Summary: The off-normal ion irradiation of semiconductor materials can result in nanopatterning effects. Different theories are proposed to explain the self-reorganization mechanisms of amorphizable surfaces. One hypothesis suggests that nanopatterning is associated with changes in sputtering characteristics due to surface morphology changes. Molecular dynamics simulations are conducted to investigate the formation of ripples in different regimes, providing atom-level insights on the atomic dynamics and organization.

PHYSICAL REVIEW MATERIALS (2023)

Article Materials Science, Multidisciplinary

Comprehensive structural changes in nanoscale-deformed silicon modelled with an integrated atomic potential

Rafal Abram, Dariusz Chrobak, Jesper Byggmastar, Kai Nordlund, Roman Nowak

Summary: Despite the remarkable developments in advanced materials, silicon remains one of the leading semiconductors today. Its nanomechanical behavior, including phase transformation, amorphization, and dislocation generation, is of enduring significance in science and technology. This paper examines the effectiveness of combining two well-known potentials, Tersoff and Stillinger-Weber, in simulating the complex behavior of silicon during nanoscale deformation. The results suggest that our model successfully replicates experimentally observed structural changes and offers new insights into the capabilities of existing computational models.

MATERIALIA (2023)

Article Materials Science, Multidisciplinary

Effects of lattice and mass mismatch on primary radiation damage in W-Ta and W-Mo binary alloys

Guanying Wei, Jesper Byggmastar, Junzhi Cui, Kai Nordlund, Jingli Ren, Flyura Djurabekova

Summary: This study investigates the effect of lattice parameter difference and mass difference on primary radiation damage in W-Ta and W-Mo alloys through atomistic simulations. The results show that the available interatomic potential and Gaussian approximation potential yield different predictions, but the trend of alloy composition on surviving defects is similar in W-Mo alloys, while it differs significantly in W-Ta alloys.

JOURNAL OF NUCLEAR MATERIALS (2023)

Article Materials Science, Multidisciplinary

Formation and self-organisation of nano-porosity in swift heavy ion irradiated amorphous Ge

Thomas Bierschenk, Werner Wesch, Boshra Afra, Matias D. Rodriguez, Flyura Djurabekova, Levi Keller, Olli H. Pakarinen, Kai Nordlund, Mark C. Ridgway, Patrick Kluth

Summary: Swift heavy ion irradiation leads to the self-organization of nano-porosity in amorphous Ge, with pores segregating into layers parallel to the sample surface. The self-organization mechanism depends on ion energy, thickness of the amorphous Ge layer, and ion incidence angle, with a characteristic length determined by ion energy and irradiation angle. Molecular dynamics simulations show that voids form due to the transition from low-density amorphous to high-density liquid phase, resulting in a flow away from large pores and surfaces and supporting void formation at the amorphous/crystalline interface.

ACTA MATERIALIA (2023)

Article Astronomy & Astrophysics

Identification of the low-energy excess in dark matter searches with crystal defects

Matti Heikinheimo, Sebastian Sassi, Kai Nordlund, Kimmo Tuominen, Nader Mirabolfathi

Summary: An excess of events of unknown origin has been observed in low-threshold dark matter detectors at low energies. Testing if these events are due to nuclear recoils can be done using the sharp defect creation threshold of diamond.

PHYSICAL REVIEW D (2022)

Article Astronomy & Astrophysics

Energy loss in low energy nuclear recoils in dark matter detector materials

Sebastian Sassi, Matti Heikinheimo, Kimmo Tuominen, Antti Kuronen, Jesper Byggmaestar, Kai Nordlund, Nader Mirabolfathi

Summary: Recent progress in phonon-mediated detectors with eV-scale nuclear recoil energy sensitivity requires understanding the effect of crystalline defects on the expected energy spectrum. Molecular dynamics simulations are performed to determine the amount of energy stored in lattice defects. The results show that this energy cannot be observed in phonon measurements, which affects the observed energy spectrum compared to the true recoil energy spectrum.

PHYSICAL REVIEW D (2022)

Article Materials Science, Multidisciplinary

H dissolution and desorption near He-V complexes in W surfaces with different orientations

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

Effect of deposition parameters on characteristics and oxidation behavior of magnetron sputtered Cr coatings

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

Automated analysis of grain morphology in TEM images using convolutional neural network with CHAC algorithm

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

Model development for oxidation and degradation behavior of accident tolerant Cr coating on Zr alloy cladding under high temperature steam atmosphere

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

Numerical and experimental development of cupronickel filler brazed joints for divertor and first wall components in DEMO fusion reactor

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

Defect-specific strength factors and superposition model for predicting strengthening of ion irradiated Fe18Cr alloy

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

Synthesis and characterization of sodium-aluminophosphate based glass-ceramics containing NZP phase for HLW immobilization

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

High temperature oxidation of cold spray Cr-coated accident tolerant zirconium-alloy cladding with Nb diffusion barrier layer

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

Irradiation creep measurement and microstructural analysis of chromium nitride-coated zirconium alloy using pressurized tubes

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

Determination of impurity distribution in IG-11/110 nuclear graphite using TOF-SIMS

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

Study of multi-pebble oxidation process in high-temperature gas-cooled reactor

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

Synthesis and characterization of super occluded LiCl-KCl in zeolite-4A as a chloride salt waste form intermediate

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

Hermeticity of SiC/SiC composite and monolithic SiC tubes irradiated under radial high-heat flux

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

Theoretical estimation of multiple hydrogen isotope content in metal layers slowly co-deposited from plasmas

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

Computational study of thermophysical properties of cerium doped UO2: Effect of oxidation states

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)