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Multiscale microstructure-based constitutive modeling of high-temperature creep rupture in post-irradiated ODS steels

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Journal of Materials Research and technology 2025年 36卷 8037-8047页

作者： Xiaobao Fu Zhenyu Zhao Zeyuan Yan Yuntao Zhong Dengke Chen Ruiqian Zhang Bin Liu Qihong Fang Jia Li State Key Laboratory of Advanced Design and Manufacturing Technology for Vehicle College of Mechanical and Vehicle Engineering Hunan University Changsha 410082 PR China State Key Laboratory of Powder Metallurgy Central South University Changsha 410083 PR China Science and Technology on Reactor Fuel and Materials Laboratory Nuclear Power Institute of China Chengdu 610213 PR China Department of Engineering Mechanics School of Ocean and Civil Engineering Shanghai Jiao Tong University Shanghai 200240 PR China

Oxide dispersion strengthened (ODS) steel exhibits the great potential as structural materials in nuclear energy production, owing to the complex interface between the oxide particles and the matrix to enhance the resistance of radiation damage. However, the impact of irradiation-induced defects on the thermal creep rate and resistance of ODS steel currently remains inadequately understood. The point defect concentration with the increasing time is predicted, and the coarsening of oxide particles is quantitatively evaluated during the creep using the Ostwald ripening theory. Considering the irradiation-induced microstructure, a modified thermal creep rate model is proposed, and the thermal creep rate and creep strain of irradiated ODS steel are predicted at different temperatures. The results show that the thermal creep rate reaches 3 × 10 −5 s −1 at the temperature of 500 °C and stress of 200 MPa, while the thermal creep strain does not exceed 3 % at the temperature of 800 °C. The average size and number density of the irradiated ODS steel are 8.34 nm and 2.72 × 10 18 m −3 . Meanwhile, the effect of the activation energy on the thermal creep life is predicted at different temperatures. The thermal creep life is maintained in the higher temperature range, even exceeding 10,000 h at 600 °C for irradiated ODS steels. High temperature causes the increased dislocation activity, and the coarsened oxide particles effectively hinder dislocation motion, thereby maintaining structural stability. This work aims to shed light on the influence of post-irradiation microstructure on the thermal creep performance of irradiated ODS steels, ultimately leading to the improved prediction of creep life.

关键词： Irradiation Oxide dispersion strengthening Point defect Thermal creep rate

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Improved Lbe Corrosion Resistance and Mechanical Properties of Reactive Gas Pulse Sputtered Alcrfemoti/(Alcrfemoti)N Composite Multilayered High-Entropy Alloy Coatings

SSRN

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SSRN 2022年

作者： Yang, Jian Lv, Liangliang Zhou, Mingyang Chen, Qingsong Liu, Hao Zhong, Yilong Deng, Jiuguo Zhang, Wei Zhu, Changda Liu, Ning Yang, Jijun Key Laboratory of Radiation Physics and Technology of Ministry of Education Institute of Nuclear Science and Technology Sichuan University Chengdu610064 China Science and Technology on Reactor System Design Technology Laboratory Nuclear Power Institute of China Chengdu610213 China

The (HEA/HEAN)-n multilayer coatings consisting of alternating (AlCrFeMoTi)N (top) and AlCrFeMoTi layers were specially designed and successfully deposited on F/M steel substrate by reactive magnetron sputtering technology. The dependence of microstructure, mechanical properties and LBE corrosion resistance on interlayer interface density was systematically investigated. The multilayer structure design improved the mechanical properties and high-temperature structural stability of the multilayer coatings. Furthermore, the LBE corrosion experiments displayed that the (HEA/HEAN)-12 multilayer coating with optimum interlayer interface density exhibited the most excellent LBE corrosion resistance. The oxidation corrosion mechanism of the (HEA/HEAN)-n multilayer coatings were also discussed intensively. © 2022, The Authors. All rights reserved.

关键词： Corrosion resistance

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Understanding Xenon and Vacancy Behaviors in Uo2, Un and U3si2: A Comparative Ab Initio Study

SSRN

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SSRN 2022年

作者： Zhao, Jiajun Sun, Dan Wang, Yuanyuan Xi, Liu Chen, Ping Zhao, Jijun Dalian University of Technology Liaoning Dalian China Science and Technology on Reactor System Design Technology Laboratory Nuclear Power Institute of China Sichuan Chengdu China

Extensive attention has been paid to accident tolerant fuels (ATFs), such as uranium mononitride (UN) and uranium sesquisilicide (U3Si2), which are regarded as the potential candidates to replace uranium dioxide (UO2) in light water reactor (LWR). However, the thermodynamic behavior of fission gas atom in these fuels that can quantitatively affect the burnup characteristics of ATF needs to be explored. To this end, the systematic ab initio investigation on the energetic properties of xenon (Xe)-vacancy complexes in UO2, UN and U3Si2 is performed with the GGA+U approach as well as the corrected chemical potential. The stabilities of Xe-vacancy clusters, including interstitial trap site (IS), mono-, bi- and tri-atomic vacancy, are thoroughly assessed. The formation energies of vacancy complexes indicate that it is more likely to form vacancy cluster defects and their complexes with Xe in UO2 and to generate mono-atomic vacancy and Xe-vacancy complex in both UN and U3Si2. Xe can be strictly confined by the trap sites in UO2 and UN, and yet in U3Si2, it prefers to move to the centre of a large free volume trap site. The strongest soluble characteristic of Xe in U3Si2 indicates excellent storage compacity of fission gas products in the matrix. This work can provide comprehensive insights into the original reason of interplay between Xe and vacancy as well as the thermodynamic behavior of those defects in the uranium-based fuels. © 2022, The Authors. All rights reserved.

关键词： Uranium dioxide

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Influence of Si Addition on the Microstructure, Mechanical and Lbe Corrosion Properties of an Amorphous Alcrfemoti High-Entropy Alloy Coating

SSRN

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SSRN 2022年

作者： Yang, Jian Zhou, Mingyang Liu, Ning Yang, Jijun Key Laboratory of Radiation Physics and Technology of Ministry of Education Institute of Nuclear Science and Technology Sichuan University Chengdu610064 China Science and Technology on Reactor System Design Technology Laboratory Nuclear Power Institute of China Chengdu610213 China

The effect of the Si addition content ranging from 3.3 to 9.1 at.% on the microstructure, mechanical properties and LBE corrosion behaviour of AlCrFeMoTi HEA coatings was investigated. The AlCrFeMoTiSix coatings still maintained an amorphous structure, and their mechanical properties were improved. The Si addition greatly contributed to the enhancement of the LBE corrosion resistance of the coatings, which could be attributed to the formation of a more continuous and protective Cr2O3 and Al2O3 layer. However, the improved efficiency was related to the Si addition content, with an oxidation process model put forwards to well explain this phenomenon. © 2022, The Authors. All rights reserved.

关键词： Corrosive effects

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Generic approach for integrating ferroelectricity and superconductivity into a single two-dimensional monolayer

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Physical Review B 2025年第9期111卷 094516-094516页

作者： Jianyong Chen Wen-Yi Tong Ping Cui Zhenyu Zhang Institute of Quantum Materials and Physics Henan Academy of Sciences Zhengzhou 450046 China International Center for Quantum Design of Functional Materials (ICQD) Hefei National Research Center for Physical Sciences at Microscale University of Science and Technology of China Hefei Anhui 230026 China Key Laboratory of Polar Materials and Devices (MOE) and Department of Electronics East China Normal University Shanghai 200241 China Hefei National Laboratory University of Science and Technology of China Hefei 230088 China

The coexistence of ferroelectricity and superconductivity is a forefront research topic in condensed matter physics, and achieving this coexistence in a single-phase material is particularly challenging, as the former is typically restricted to insulators while the latter demands metallicity. Here, we show that coexistence of robust ferroelectricity and superconductivity can be realized by properly hole doping a fertile ferroelectric insulator that possesses antibonding states as its highest valence bands. Using a prototypical two-dimensional ferroelectric insulating SnS monolayer as an example, we demonstrate that a moderate level of hole doping (∼0.30 hole per formula unit) not only effectively converts the system into a metal, but counterintuitively also enhances its ferroelectricity rather than weakens or even completely destroys the ferroelectricity as commonly encountered. The underlying physical origin is traced to the shifting of the Fermi level into the occupied antibonding bands, which renders the system metallicity and simultaneously also strengthens the in-plane bonding nature associated with polar displacement. We further show that the resultant ferroelectric metal can harbor superconductivity with a pronounced superconducting transition temperature of ∼7 K, due to the emergence of strong Fermi-surface nesting upon hole doping and softening of the out-of-plane acoustic phonon mode that couples effectively with the itinerant electrons. These findings provide a generic approach for achieving ferroelectric superconductivity with appealing device potentials.

关键词： Ferroelectricity

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Natural product 1,2,3,4,6-penta-O-galloyl-β-D-glucopyranose is a reversible inhibitor of glyceraldehyde 3-phosphate dehydrogenase

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中国药理学报（英文版） 2022年第2期43卷 470-482页

作者： Wen Li Li-ping Liao Ning Song Yan-jun Liu Yi-luan Ding Yuan-yuan Zhang Xiao-ru Zhou Zhong-ya Sun Sen-hao Xiao Hong-bo Wang Jing Lu Nai-xia Zhang Hua-liang Jiang Kai-xian Chen Chuan-peng Liu Jie Zheng Ke-hao Zhao Cheng Luo School of Pharmacy Key Laboratory of Molecular Pharmacology and Drug Evaluation(Yantai University)Ministry of EducationCollaborative Innovation Center of Advanced Drug Delivery System and Biotech Drugs in Universities of ShandongYantai UniversityYantai 264005China Drug Discovery and Design Center the Center for Chemical BiologyState Key Laboratory of Drug ResearchShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China University of Chinese Academy of Sciences Beijing 100049China University of Chinese Academy of Sciences Beijing 100049China Center of Immunological Diseases Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China Drug Discovery and Design Center the Center for Chemical BiologyState Key Laboratory of Drug ResearchShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China Department of Gastroenterology Xinhua HospitalSchool of MedicineShanghai Jiaotong UniversityShanghai 201210China Department of Analytical Chemistry Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China Drug Discovery and Design Center the Center for Chemical BiologyState Key Laboratory of Drug ResearchShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China Drug Discovery and Design Center the Center for Chemical BiologyState Key Laboratory of Drug ResearchShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China University of Chinese Academy of Sciences Beijing 100049China School of Life Science and Technology Shanghai Tech UniversityShanghai 201210China Drug Discovery and Design Center the Center for Chemical BiologyState Key Laboratory of Drug ResearchShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China School of Life Science and Technology Harbin Institute of TechnologyHarbin 200092China Drug Discovery and Design Center the Center for Chemical BiologyState Key Laboratory of Drug ResearchSha

Aerobic glycolysis,also known as the Warburg effect,is a hallmark of cancer cell glucose metabolism and plays a crucial role in the activation of various types of immune *** 3-phosphate dehydrogenase(GAPDH)catalyzes the conversion of D-glyceraldehyde 3-phosphate to D-glycerate 1,3-bisphosphate in the 6th critical step in *** exerts metabolic flux control during aerobic glycolysis and therefore is an attractive therapeutic target for cancer and autoimmune ***,GAPDH inhibitors were reported to function through common suicide inactivation by covalent binding to the cysteine catalytic residue of ***,by developing a high-throughput enzymatic screening assay,we discovered that the natural product 1,2,3,4,6-penta-O-galloyl-β-D-glucopyranose(PGG)is an inhibitor of GAPDH with Ki=0.5 μ*** blocks GAPDH activity by a reversible and NAD+and Pi competitive mechanism,suggesting that it represents a novel class of GAPDH ***-depth hydrogen deuterium exchange mass spectrometry(HDX-MS)analysis revealed that PGG binds to a region that disrupts NAD+and inorganic phosphate binding,resulting in a distal conformational change at the GAPDH tetramer *** addition,structural modeling analysis indicated that PGG probably reversibly binds to the center pocket of ***,PGG inhibits LPS-stimulated macrophage activation by specific downregulation of GAPDH-dependent glucose consumption and lactate *** summary,PGG represents a novel class of GAPDH inhibitors that probably reversibly binds to the center pocket of *** study sheds new light on factors for designing a more potent and specific inhibitor of GAPDH for future therapeutic applications.

关键词： glyceraldehyde 3-phosphate dehydrogenase 1 2 3 4 6-penta-O-galloyl-β-D-glucopyranose hydrogen deuterium exchange mass spectrometry reversible inhibitor glycolysis

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Integrated Modeling, Verification, and Code Generation for Unmanned Aerial systems

arXiv

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arXiv 2024年

作者： Zhang, Jianyu Zhang, Long Wu, Yixuan Ma, Linru Yang, Feng School of Automation Engineering University of Electronic Science and Technology of China Chengdu China National Key Laboratory of Science and Technology on Information System Security AMS Beijing China School of Electronics and Information Northwestern Polytechnical University Xi’an China

Unmanned Aerial systems (UAS) are currently widely used in safety-critical fields such as industrial production, military operations, and disaster relief. Due to the diversity and complexity of application scenarios, UAS have become increasingly intricate. The challenge of designing and implementing highly reliable UAS while effectively controlling development costs and enhancing efficiency is a pressing issue faced by both academia and industry. Addressing this challenge, this paper aims to investigate an integrated approach to modeling, verification, and code generation for UAS. The paper begins by utilizing Architecture Analysis and design Language (AADL) to model the UAS, proposing a set of generic UAS models. Based on these models, formal specifications are written to describe the system's safety properties and functions. Finally, the paper introduces a method for generating flight controller code for UAS based on the verified models. Experiments conducted with the proposed method demonstrate its effectiveness in identifying potential vulnerabilities in the UAS during the early design phase and in generating viable flight controller code from the verified models. This approach can enhance the efficiency of designing and verifying high-reliability UAS. Copyright © 2024, The Authors. All rights reserved.

关键词： Efficiency

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An Agile Formal Specification Language design Based on K Framework

arXiv

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arXiv 2024年

作者： Zhang, Jianyu Zhang, Long Wu, Yixuan Yang, Feng School of Automation Engineering University of Electronic Science and Technology of China Chengdu China National Key Laboratory of Science and Technology on Information System Security AMS Beijing China School of Electronics and Information Northwestern Polytechnical University Xi’an China

Formal Methods (FMs) are currently essential for verifying the safety and reliability of software systems. However, the specification writing in formal methods tends to be complex and challenging to learn, requiring familiarity with various intricate formal specification languages and verification technologies. In response to the increasing complexity of software frameworks, existing specification writing methods fall short in meeting agility requirements. To address this, this paper introduces an Agile Formal Specification Language (ASL). The ASL is defined based on the K Framework and YAML Ain’t Markup Language (YAML). The design of ASL incorporates agile design principles, making the writing of formal specifications simpler, more efficient, and scalable. Additionally, a specification translation algorithm is developed, capable of converting ASL into K formal specification language that can be executed for verification. Experimental evaluations demonstrate that the proposed method significantly reduces the code size needed for specification writing, enhancing agility in formal specification writing. Copyright © 2024, The Authors. All rights reserved.

关键词： Formal specification

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Effect of yttrium and calcium additions on electrochemical behaviors and discharge performance of AZ80 anodes for Mg-air battery

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Transactions of Nonferrous Metals Society of china 2022年第8期32卷 2510-2526页

作者： Yu-wen-xi ZHANG Lu HAN Lin-bao REN Ling-ling FAN Yang-yang GUO Ming-yang ZHOU Gao-feng QUAN Key Laboratory of Advanced Technologies of Materials(Ministry of Education) School of Materials Science and EngineeringSouthwest Jiaotong UniversityChengdu 610031China Center for Advancing Materials Performance from the Nanoscale State Key Laboratory for Mechanical Behavior of MaterialsXi’an Jiaotong UniversityXi’an 710049China Xi’an Rare Metal Materials Institute Co. Ltd.Xi’an 710049China Science and Technology on Reactor System Design Technology Laboratory Nuclear Power Institute of ChinaChengdu 610213China

The effects of yttrium(Y)and yttrium+calcium(Y+Ca)additions on the electrochemical properties and discharge performance of the as-extruded Mg−8Al−0.5Zn−0.2Mn(AZ80)anodes for Mg−air batteries were *** results show that the addition of 0.2 wt.%Y increased the corrosion resistance and discharge activity of AZ80 *** was attributed to the fine and sphericalβ-Mg_17)Al_(12) phases dispersing evenly in AZ80+0.2Y alloy,which suppressed the localized corrosion and severe“chunk effect”,and facilitated the rapid activation ofα-*** addition of 0.2 wt.%Y and 0.15 wt.%Ca generated grain refinement and a reduction of theβ-Mg_17)Al_(12) phase,resulting in a further enhancement in discharge ***,the incorporation of Ca in Mg_17)Al_(12) and Al_(2)Y compounds compromised the corrosion resistance and anodic efficiency of AZ80+0.2Y+0.15Ca ***,AZ80+0.2Y anode exhibited excellent overall discharge performance,with the peak discharge capacity and anodic efficiency of 1525 mA·h·g^(−1) and 67%at 80 mA/cm^(2),13%and 14%higher than those of AZ80 anode,respectively.

关键词： Mg-air battery Mg-Al-Zn anode discharge performance electrochemical behavior

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Ab initio study on engineering the quantum anomalous Hall effect in the compensated antiferromagnet MnBi2Te4

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Physical Review B 2025年第11期111卷 115416-115416页

作者： Zeyu Li Yulei Han Wenhao Liang Zhenhua Qiao International Center for Quantum Design of Functional Materials CAS Key Laboratory of Strongly-Coupled Quantum Matter Physics and Department of Physics University of Science and Technology of China Hefei Anhui 230026 China Hefei National Laboratory University of Science and Technology of China Hefei 230088 China Department of Physics Fuzhou University Fuzhou Fujian 350108 China

Recently, the quantum anomalous Hall effect (QAHE) has been theoretically proposed in compensated antiferromagnetic systems by using the magnetic topological insulator model [Phys. Rev. Lett. 134, 116603 (2025)]. However, the related and systematic study based on a realistic material system is still limited. As the only experimentally realized antiferromagnetic topological insulator, MnBi2Te4 becomes a vital platform for exploring various topological states. In this work, by using comprehensive first-principles calculations, we illustrate that the QAHE can also be realized in compensated antiferromagnetic even-septuple-layer MnBi2Te4 without combined parity-time (PT) symmetry. Using a magnetic topological insulator model, the layer-resolved Chern number is calculated to further understand the presence of different Chern numbers. The application of external hydrostatic pressure will strengthen the Te-Te quasicovalent bond due to the dramatic compression of the van der Waals gap. Thus, the topological nontrivial gap exceeds the room-temperature energy scale in a wide range of pressures. Additionally, we find that constructing MnBi2Te4/CrI3 heterostructure can realize the compensated antiferromagnetic configurations with QAHE. Our work demonstrates the realization of QAHE in compensated antiferromagnetic even-septuple-layer MnBi2Te4 and provides a reliable strategy to obtain the corresponding magnetic configurations.

关键词： Hydrostatic pressure

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