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Electronic effects on radiation damage inα-iron:A molecular dynamics study

Chinese physics B 2024年第3期33卷 521-529页

作者：江林李敏付宝勤崔节超侯氢 Key Laboratory for Radiation Physics and Technology Institute of Nuclear Science and TechnologySichuan UniversityChengdu 610064China

Iron(Fe)-based alloys,which have been widely used as structural materials in nuclear reactors,can significantly change their microstructure properties and macroscopic properties under high flux neutron irradiation during operation,thus,the problems associated with the safe operation of nuclear reactors have been put forward *** this work,a molecular dynamics simulation approach combined with electronic effects is developed for investigating the primary radiation damage process inα-***,the influence of electronic effects on the collision cascade in Fe is systematically evaluated based on two commonly used interatomic potentials for *** simulation results reveal that both electronic stopping(ES)and electron-phonon coupling(EPC)can contribute to the decrease of the number of defects in the thermal spike *** application of ES reduces the number of residual defects after the cascade evolution,whereas EPC has a reverse *** introduction of electronic effects promotes the formation of the dispersive subcascade:ES significantly changes the geometry of the damaged region in the thermal spike phase,whereas EPC mainly reduces the extent of the damaged ***,the incorporation of electronic effects effectively mitigates discrepancies in simulation outcomes when using different interatomic potentials.

关键词： radiation damage electronic effects molecular dynamics simulation α-iron

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Effect of copper/tungsten heterophase interface on radiation resistance: Insights from atomistic simulations

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Chinese physics B 2025年第4期34卷 501-508页

作者： Wen Chen Min Li Bao-Qin Fu Tun Chen Jie-Chao Cui Qing Hou Key Laboratory of Radiation Physics and Technology of the Ministry of Education Institute of Nuclear Science and TechnologySichuan UniversityChengdu 610064China

Nanostructured materials have demonstrated superior radiation-damage tolerance compared to their coarse-grained counterparts,contributing to the extended lifespan of nuclear ***,the mechanisms underlying this enhanced irradiation resistance remain *** this study,we present atomistic simulations to investigate the impact of Cu/W heterophase interface on the evolution of irradiation-induced *** simulation results reveal that the Cu/W interfaces can act as defect sinks,effectively trapping self-interstitial atoms(SIAs).Furthermore,the interface demonstrates both the interstitial emission and interstitial transfer mechanisms,wherein the trapped W SIAs facilitate the emission of Cu atoms from the interface to the Cu *** emitted Cu SIAs can promote defect recombination on the Cu side,leading to a reduced defect concentration in the Cu/W ***,these combined mechanisms contribute to a lower overall concentration of irradiation-induced defect,thereby enhancing the radiation resistance of Cu/W nanomultilayers.

关键词： molecular dynamics Cu/W nano-multilayers interstitial transfer mechanism radiation resistance

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The biochemical behavior and mechanism of uranium(Ⅵ)bioreduction induced by natural Bacillus thuringiensis

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Journal of Environmental Sciences 2024年第2期136卷 372-381页

作者： Shunzhang Chen Junyuan Gong Yanxia Cheng Yuqi Guo Feize Li Tu Lan Yuanyou Yang Jijun Yang Ning Liu Jiali Liao Key Laboratory of Radiation Physics and Technology of the Ministry of Education Institute of Nuclear Science and TechnologySichuan UniversityChengdu 610064China

For a broader understanding of uranium migration affected by microorganisms in natural anaerobic environment,the bioreduction of uranium(Ⅵ)(U(Ⅵ))was revealed in Bacillus thuringiensis,a dominant bacterium strain with potential of uranium-tolerant isolated from uranium contaminated *** reduction behavior was systematically investigated by the quantitative analysis of U(Ⅳ)in bacteria,and mechanism was inferred from the pathway of electron *** anaerobic conditions,appropriate biomass and sodium lactate as electron donor,reduction behavior of U(Ⅵ)induced by *** was restricted by the activity of lactate dehydrogenase,which was directly affected by the initial pH,temperature and initial U(Ⅵ)concentration of bioreduction *** of U(Ⅵ)was driven by the generation of nicotinamide adenine dinucleotide(NADH)from enzymatic reaction of sodium lactate with various *** transmission of the electrons from bacteria to U(Ⅵ)was mainly supported by the intracellular NADH dehydrogenase-ubiquinone system,this process could maintain the biological activity of cells.

关键词： Uranium Bacillus thuringiensis Bioreduction Electron transmission

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A novel Li-ion based transistor within LiCoO2/Li6.75La3Zr1.5Ta0.5O12/Ag scheme

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Progress in Natural Science:Materials International 2025年第1期35卷 194-200页

作者： Jixiang Yin Houning Song Peirong Li Yuzhi Xing Supeng Chen Qi Liang Yu Feng Dong Yang Wenxiao Zhao Dong Wang Qinghao Li Pengfei Yu Qiang Li Xiaosong Liu Yanxue Chen College of Physics Qingdao University School of Physics State Key Laboratory of Crystal Materials Shandong University Center for Transformative Science ShanghaiTech University National Synchrotron Radiation Laboratory University of Science and Technology of China

Traditional electronic devices are reaching their physical limits as they shrink in size to improve integration. Solid ionic devices have become promising candidate to avoid tunneling effect and address these constraints, but the response time are typically sluggish. In recent years, the rapid development of solid electrolyte and solid-state battery provide superior choices to overcome limitations in ion transport. In this work, we construct an ionic transistor within Ag/LiCoO2/Li6.75La3Zr1.5Ta0.5O12（LLZTO）/Ag structure. LiCoO2serves as the channel layer of the transistor, with LLZTO acting as the electrolyte to isolate electrons and facilitate ion conduction, and Ag as the gate/anode. XRD, Raman spectroscopy, and electrochemical characterization confirm lithiation and *** characterization demonstrates the continuous resistive switching of the LiCoO2channel layer between high and low resistive states under pulsed gate voltage control, exhibiting high reversibility and long cycle stability. By combining X-ray absorption spectroscopy（XAS） and X-ray emission spectroscopy（XES）, the transition between high and low resistive states can be well clarified by a first-order Mott transition scheme. These results provide new perspectives for performance improvement and further development of ionic devices.

关键词： Electrolytes Ionic conductivity Phase transitions Transistors X-ray spectroscopy

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Designing highly transparent cerium doped Y_(2)O_(3) ceramics with high mechanical and thermal properties for UV-shielding in extreme conditions

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Journal of Advanced Ceramics 2024年第7期13卷 1032-1042页

作者： Cong Zhang Jianqi Qi Xiaolan Zhou Zhonghua Lu Tiecheng Lu College of Physics Sichuan UniversityChengdu 610064China Key Laboratory of High Energy Density Physics of Ministry of Education Sichuan UniversityChengdu 610064China Key Laboratory of Radiation Physics and Technology of the Ministry of Education Sichuan UniversityChengdu 610064China

Ultraviolet(UV)radiation poses risks to both human health and *** response to the urgent demand for UV-shielding across various applications,extensive endeavors have been dedicated to developing UV-shielding materials spanning from wide-bandgap semiconductors to organo-inorganic composite ***,existing UV shielding materials,though suitable for daily use,cannot meet the demands of extreme *** this work,we incorporated CeO_(2)as a UV absorber into Y_(2)O_(3)transparent ceramics for *** effect of CeO_(2)concentration on the optical,mechanical,and thermal properties of Y_(2)O_(3)ceramics was systematically *** findings indicate that CeO_(2)serves not only as a UV absorber but also as an effective sintering aid for Y_(2)O_(3)transparent *** 5 at%Ce-doped Y_(2)O_(3)transparent ceramics exhibit the optimal optical quality,with in-line transmittance of~77%at 800 *** introduction of Ce shifted the UV cutoff edge of Y_(2)O_(3)transparent ceramics from 250 to 375 nm,which was attributed to the visible band absorption of Ce^(4+).This shift grants UV shielding capabilities to Y_(2)O_(3)transparent ceramics,resulting in 100%shielding for ultraviolet C(UVC,100-280 nm)and ultraviolet B(UVB,280-320 nm)and~95%shielding for ultraviolet A(UVA,320-400 nm).The service stability(optical properties)under various corrosive conditions(acid,alkali,UV irradiation,and high temperature)was investigated,confirming the excellent stability of this transparent ceramic UV-shielding material.A comparison of the performance parameters of transparent ceramics with those of traditional UV shielding materials such as glasses,films,and coatings was *** work provides innovative design concepts and an effective solution for UVshielding materials for extreme conditions.

关键词： ultraviolet(UV)-shielding transparent ceramics bandgap engineering thermal properties optical properties

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Role of reduction temperature on nanosized silicalite-1 zeolite confined Pd cluster catalysts for oxidation of hydrogen isotopes

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Journal of Materials Science & technology 2024年第26期193卷 51-60页

作者： Guilin Wei Junhong Luo Wenwen Yong Jiangfeng Song Yan Shi Xingwen Feng Ning Liu Key Laboratory of Radiation Physics and Technology of the Ministry of Education Institute of Nuclear Science and TechnologySichuan UniversityChengdu 610064China Institute of Materials China Academy of Engineering PhysicsJiangyou 621908China

Controllable nuclear fusion is a major breakthrough in the future energy field and an important way for mankind to pursue clean and sustainable ***,since the fusion reaction raw material tritium is radioactive(βdecay,half-life is 12.43 years),the leakage of these hydrogen isotopes under accident conditions will bring the risk of explosion and cause radiation damage to ***,efficient removal of hydrogen isotopes leaked due to accidents is crucial to the safe operation of nuclear fusion and human *** study utilizes the metal-support interaction effect to design a series of Pd catalysts for efficient catalytic oxidation of hydrogen *** pure silicon zeolite as a carrier,Pd is confined in the channel structure using a ligand-stabilized in situ encapsulation *** prepared catalyst has nanoscale dispersed metal clusters and has excellent hydrogen isotope catalytic oxidation *** study systematically explored the effects of catalyst post-treatment methods,reaction space velocity,and reaction temperature on the hydrogen isotope catalytic oxidation conversion *** results show that the catalyst can be fully reduced at 600℃and can achieve a hydrogen isotope catalytic oxidation conversion rate of greater than 98%(24,000 mL g^(-1)h^(-1))at 100℃.The conversion rate for hydrogen is higher than 96%under the same space velocity at 50℃.After 35,360 min(∼24.5 d)of continuous testing and intermittent operation,the catalyst can also maintain a conversion rate of 99%(100℃,24,000 mL g^(-1)h^(-1)).A lower reduction temperature will leave some organic matter,which will coordinate and bond on the Pd clusters and thus affect the catalytic *** the same conditions,the hydrogen conversion rate of the catalyst directly reduced at 400℃was 14%lower than that of reduction at 600℃,which proves the criticality of the reduction *** work demonstrates a systematic study of utilizing the confinement effect of molecular

关键词： Silicalite-1 Zeolite Palladium Hydrogen isotopes oxidation High stability Coordination information

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Simultaneous fluorescence and Compton scattering computed tomography based on linear polarization X-ray

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Nuclear Science and Techniques 2024年第10期35卷 41-50页

作者： Zhi-Jun Chi Hong-Ze Zhang Jin Lin Xuan-Qi Zhang Hao Ding Qi-Li Tian Zhi Zhang Ying-Chao Du Wen-Hui Huang Chuan-Xiang Tang Key Laboratory of Beam Technology of the Ministry of Education School of Physics and AstronomyBeijing Normal UniversityBeijing 100875China Key Laboratory of Particle and Radiation Imaging of the Ministry of Education Department of Engineering PhysicsTsinghua UniversityBeijing 100084China

Purpose To propose a method for simultaneous fluorescence and Compton scattering computed tomography by using linearly polarized *** Monte Carlo simulations were adopted to demonstrate the feasibility of the proposed *** the simulations,the phantom is a polytetrafluoroethylene cylinder inside which are cylindrical columns containing aluminum,water,and gold(Au)-loaded water solutions with Au concentrations ranging between 0.5 and 4.0 wt%,and a parallel-hole collimator imaging geometry was *** light source was modeled based on a Thomson scattering X-ray *** phantom images for both imaging modalities were reconstructed using a maximumlikelihood expectation maximization *** Both the X-ray fluorescence computed tomography(XFCT)and Compton scattering computed tomography(CSCT)images of the phantom were accurately reconstructed.A similar attenuation contrast problem for the different cylindrical columns in the phantom can be resolved in the XFCT and CSCT *** interplay between XFCT and CSCT was analyzed,and the contrast-to-noise ratio(CNR)of the reconstruction was improved by correcting for the mutual influence between the two imaging *** with K-edge subtraction imaging,XFCT exhibits a CNR advantage for the *** Simultaneous XFCT and CSCT can be realized by using linearly polarized *** synergy between the two imaging modalities would have an important application in cancer radiation therapy.

关键词： X-ray fluorescence computed tomography Compton scattering computed tomography Linear polarization Thomson scattering X-ray source Monte Carlo simulation

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Experimental determination of stripping foil thickness on the XiPAF synchrotron

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Nuclear Science and Techniques 2025年第3期36卷 27-37页

作者： Xiao-Yu Liu Hong-Juan Yao Shu-Xin Zheng Ze-Jiang Wang Yang Xiong Pei-Zhi Fang Zhong-Ming Wang Key Laboratory of Particle&Radiation Imaging Tsinghua UniversityBeijing 100084China Laboratory for Advanced Radiation Sources and Application Tsinghua UniversityBeijing 100084China Department of Engineering Physics Tsinghua UniversityBeijing 100084China National Key Laboratory of Intense Pulsed Radiation Simulation and Effect Northwest Institute of Nuclear TechnologyXi’an 710024China

Stripping injection overcomes the limitations of Liouville's theorem and is widely used for beam injection and accumulation in high-intensity *** interaction between the stripping foil and beam is crucial in the study of stripping injection,particularly in low-energy stripping injection synchrotrons,such as the XiPAF *** foil thickness is the main parameter that affects the properties of the beam after *** thin stripping foil is reinforced with collodion during its ***,the collodion on the foil surface makes it difficult to determine its equivalent thickness,because the mechanical measurements are not sufficiently reliable or convenient for continuously determining foil *** propose an online stripping foil thickness measurement method based on the ionization energy loss effect,which is suitable for any foil thickness and does not require additional *** studies were conducted using the XiPAF *** limitation of this method was examined,and the results were verified by comparing the experimentally obtained beam current accumulation curves with the simulation *** confirms the accuracy and reliability of the proposed method for measuring the stripping foil thickness.

关键词： Stripping injection Foil thickness Synchrotron Injection efficiency Experimental study

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CO adsorption, activation, and oxidation on CeO_(2)(111)-supported Fe model catalyst surfaces

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Nano Research 2025年第2期18卷 111-119页

作者： Xingwang Cheng Yi Tu Dongling Zhang Dong Han Luchao Huang Jun Hu Honghe Ding Qian Xu Junfa Zhu National Synchrotron Radiation Laboratory University of Science and Technology of ChinaHefei 230029China Department of Chemical Physics Key Laboratory of Surface and Interface Chemistry and Energy Catalysis of Anhui Higher Education Institutesand Key Laboratory of Precision and Intelligent ChemistryUniversity of Science and Technology of ChinaHefei 230026China

Elucidating the synergistic effect of Fe on CeO_(2) is challenging in CO-related reactions but attractive owing to the improvement in the oxygen storage/release capacity of ceria with the addition of ***,using CeO_(2)(111)-supported Fe model catalysts,CO adsorption,activation,and oxidation on catalyst surfaces was carefully investigated using synchrotron radiation photoemission spectroscopy(SRPES),temperature-programmed desorption(TPD),and infrared reflection absorption spectroscopy(IRRAS).The precursorπ-bonding state for CO dissociative adsorption has been identified through unusually low CO vibration frequencies and a low 0 ML 0.6 ML Top sites Bridge sites MS intensity 1.0 MLπ-bond state 2.0 ML Fe 3p hv=180 eV 100 L CO on 1.6 ML Fe/CeO_(2)(111)54.7 eV Fe^(2+)53.3 eV Fe 01142 cm−1 Recombination desorption Intensity(a.u.)Clean 100 L 150 K 200 K 250 K 300 K 400 K 600 K 100200300400500600700 Temperature(K)6058565452 Binding energy(eV)50 dissociation temperature on Fe/CeO_(2)(111)*** is oxidized by dissociated atomic O followed by the Langmuir–Hinshelwood mechanism,whereas the lattice oxygen of CeO_(2) exhibits low *** CO_(2) yield displays a volcanic curve as a function of Fe *** the 0.6 ML Fe/CeO_(2) surface,weakly bound atomic O on Fe^(2+)results in the best catalytic *** on high Fe coverage surfaces,the CO_(2) yield is limited due to the capture of atomic O by *** results provide comprehensive insights into the adsorption,activation,and oxidation of CO on Fe/CeO_(2) and identify the reaction mechanism,and the active site,which provides deeper insights into CO-related reaction mechanisms over CeO_(2) supported Fe catalysts.

关键词： iron/ceria model catalyst adsorption activation oxidation

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Cross-sections of the ^(238)U(n,γ) ^(239)U reaction in the 3.0-7.0 MeV energy region measured by relative activation method

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Chinese physics C 2023年第2期47卷 107-115页

作者：温淳韩正罗小兵 Key Laboratory of Radiation Physics and Technology of the Ministry of Education Institute of Nuclear Science and TechnologySichuan UniversityChengdu 610064China

The reaction cross-sections of^(238)U(n,γ)^(239)U have been experimentally determined at neutron energies of6.117±0.119 MeV,4.626±0.086 MeV,and 3.622±0.348 MeV employing the relative activation approach along with the off-line γ-ray spectroscopy *** D(d,n)3He reaction was utilized to obtain monoenergetic neutrons of the required energy,and the^(197)Au(n,γ)^(198)Au reaction cross-sections were adopted as the referential standard to ascertain the neutron capture cross-sections of^(238)***,the effects of low-energy scattered neutrons,neutron fluence fluctuations,counting of geometric corrections when measuring γ-rays,and neutron and γ-ray self-absorption caused by the sample thickness have been considered and revised in the present *** a comparison with experimental results,the cross-sections of the^(238)U(n,γ)^(239)U reaction were calculated theoretically with the original parametric TALYS-1.9 *** experimental measurements were in contrast to previous experimental re sults and the evaluation data available for ROSFOND-2010,CENDL-3.2 and ENDF/B-VIII.0.

关键词： ^(238)U(n γ)^(239)U reaction neutron capture cross-sections off-lineγ-rays spectroscopy method TALYS-1.9 program

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