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OKMC simulation of vacancy-enhanced Cu solute segregation affected by temperature/irradiation in the Fe–Cu system

Nuclear Science and Techniques 2022年第11期33卷 158-169页

作者： Zi-Qin Shen Jie Gao Sha-Sha Lv Liang chen dong-yue chen De-Sheng Ai Zheng-Cao Li Key Lab of Advanced Materials(MOE) School of Materials Science and EngineeringTsinghua UniversityBeijing 100084China Nuclear and New Energy Institute Tsinghua UniversityBeijing 100084China Department of Engineering Physics Tsinghua UniversityBeijing 100084China Key Laboratory of Beam Technology Ministry of EducationCollege of Nuclear Science and TechnologyBeijing Normal UniversityBeijing 100875China School of Materials Science and Engineering Shanghai Jiao Tong UniversityShanghai 200240China Department of Nuclear Engineering and Management The University of TokyoTokyo 113-8656Japan

The effects of annealing and irradiation on the evolution of Cu clusters in a-Fe are investigated using object kinetic Monte Carlo *** our model,vacancies act as carriers for chemical species via thermally activated diffusion jumps,thus playing an important role in solute *** the end of the Cu cluster evolution,the simulations of the average radius and number density of the clusters are consistent with the experimental data,which indicates that the proposed simulation model is applicable and *** the simulation of the annealing process,it is found that the evolution of the cluster size roughly follows the 1/2 time power law with the increase in radius during the growth phase and the 1/3 time power law during the coarsening *** addition,the main difference between neutron and ion irradiation is the growth and evolution process of the copper-vacancy *** aggregation of vacancy clusters under ion irradiation suppresses the migration and coarsening of the clusters,which ultimately leads to a smaller average radius of the copper *** proposed simulation model can supplement experimental analyses and provide a detailed evolution mechanism of vacancy-enhanced precipitation,thereby providing a foundation for other elemental precipitation research.

关键词： Object kinetic Monte Carlo Irradiation effect Solute segregation Reactor pressure vessel

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Image stabilization with support vector machine

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Journal of Zhejiang University-Science C(Computers and Electronics) 2011年第6期12卷 478-485页

作者： Wen-de dong yue-ting chen Zhi-hai XU Hua-jun FENG Qi LI State Key Laboratory of Optical Instrumentation Zhejiang University Hangzhou 31002 7 China

We propose an image stabilization method based on support vector machine (SVM). Since SVM is very effective in solving nonlinear regression problems, an SVM model was constructed and trained to simulate the vibration characteristic. Then this model was used to predict and compensate for the vibration. A simulation system was built and four assessment metrics including the signal-to-noise ratio (SNR), gray mean gradient (GMG), Laplacian (LAP), and modulation transfer function (MTF) were used to verify our approach. Experimental results showed that this new method allows the image plane to locate stably on the CCD, and high quality images can be obtained.

关键词： Support vector machine (SVM) Vibration Displacement Prediction Compensation

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浙江省舟山群岛新区海岛型低丘缓坡土地开发利用的方法与应用

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浙江大学学报（工学版） 2017年第5期51卷 879-886,895页

作者：黄杉董越华晨浙江大学建筑设计研究院有限公司浙江杭州310024 浙江大学城市规划与设计研究所浙江杭州310058

针对海岛生态结构单一脆弱,低丘缓坡是海岛最主要的土地资源的特征,以浙江省舟山群岛新区为例,提出适用于海岛型低丘缓坡开发利用的方法.运用主成分分析法(PCA)、层次分析法,结合地理信息系统技术,以定性定量结合的方式进行数理统计和... 详细信息

针对海岛生态结构单一脆弱,低丘缓坡是海岛最主要的土地资源的特征,以浙江省舟山群岛新区为例,提出适用于海岛型低丘缓坡开发利用的方法.运用主成分分析法(PCA)、层次分析法,结合地理信息系统技术,以定性定量结合的方式进行数理统计和空间测度研究,从宏观视角分析资源总量与分布,提出生态、状态、形态的三态适宜性分析;从微观视角分析水土安全格局,调查分析岙间地规划管理单元的坡地、土壤、水文.结果表明,低丘缓坡土地利用需要综合考虑宏微观2个层面的分析,得到海岛型低丘缓坡建设适宜性,并基于用地适宜性分布,从宏观与微观上分别编制规划管理指引,以保证海岛低丘缓坡开发利用的准确性、生态性和安全性.

关键词：低丘缓坡海岛用地适宜性宏观总量微观水土格局

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Low-temperature chlorination roasting technology for the simultaneous recovery of valuable metals from spent LiCoO_(2)cathode material

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International Journal of Minerals,Metallurgy and Materials 2025年第1期32卷 80-91页

作者： Junjie Shi Changle Hou Jingjing dong dong chen Jianzhong Li Key Laboratory for Ecological Metallurgy of Multimetallic Mineral(Ministry of Education) Northeastern UniversityShenyang 110819China School of Metallurgy Northeastern UniversityShenyang 110819China

With the continuous increase in the disposal volume of spent lithium-ion batteries(LIBs),properly recycling spent LIBs has become essential for the advancement of the circular *** study presents a systematic analysis of the chlorination roasting kinetics and proposes a new two-step chlorination roasting process that integrates thermodynamics for the recycling of LIB cathode *** activation energy for the chloride reaction was 88.41 kJ/mol according to thermogravimetric analysis–derivative thermogravimetry data obtained by using model-free,model-fitting,and Z(α)function(αis conversion rate).Results indicated that the reaction was dominated by the first-order(F1)model when the conversion rate was less than or equal to 0.5 and shifted to the second-order(F2)model when the conversion rate exceeded *** conditions were determined by thoroughly investigating the effects of roasting temperature,roasting time,and the mass ratio of NH_(4)Cl to LiCoO_(2).Under the optimal conditions,namely 400℃,20 min,and NH_(4)Cl/LiCoO_(2)mass ratio of 3:1,the leaching efficiency of Li and Co reached 99.43% and 99.05%,*** of the roasted products revealed that valuable metals in LiCoO_(2)transformed into CoCl_(2) and ***,the reaction mechanism was elucidated,providing insights for the establishment of a novel low-temperature chlorination roasting technology based on a crystal structure *** technology can guide the development of LIB recycling processes with low energy consumption,low secondary pollution,high recovery efficiency,and high added value.

关键词： spent lithium-ion battery thermodynamics chlorination roasting kinetics circular economy

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Lightweight Al-Nb-Ti-V-Cr high entropy alloys with high hardness and enhanced mechanical properties via doping Co

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China Foundry 2025年

作者： Fang-dong Xu De-zhi chen Rui-run chen Bin Gan Jing-yue Yu National Key Laboratory for Precision Hot Processing of Metals Harbin Institute of Technology Suzhou Laboratory

To develop high-hardness and high-strength lightweight high entropy alloys （LHEAs）,a series of CoxAlNbTiVCr alloys were *** phase constitution,distribution,and crystal structure of the Laves phase in alloys can be altered by adjusting the composition of HEAs,which in turn influences their mechanical *** Nb Ti VCr （x=0,0.5,1,1.5,and 2,atomic ratio percentage） LHEAs were designed and prepared to characterize the microstructure and tailor the mechanical *** introduction of Co changes the microstructure of LHEAs from a single B2 structure to a mixture dendrite structure,which consists of B2 phase,C14 and C15 Laves *** the C14 and C15 Laves phases exhibit coupled *** parameters including mixing enthalpy (ΔHmix),valence electron concentration （VEC）,atomic radius size （δ）,mixing entropy （ΔS）,and electronegativity difference （Δχ） are used to predict the formation of B2 and Laves phase in *** the Co content increases from 0 to 1.5at.%,Laves phase volume fraction gradually increases,which leads to an enhancement in the compressive strength from 1,520.8 MPa to 1,844.4 ***1.5Al Nb Ti VCr alloy exhibits the maximum Vickers hardness of 699.4 *** improvement of mechanical properties mainly originates from solid solution strengthening and second phase strengthening.

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Efficient photocatalytic reduction of CO2 to formate by a molecular noble metal-free system

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Science China Chemistry 2025年第1期68卷 152-156页

作者： Lihua Zhang Lingjing chen Huatian Shi yue Wei Gui chen Tai-Chu Lau School of Environment and Civil Engineering Research Center for Eco-environmental Engineering Dongguan University of Technology Department of Chemistry and Institute of Molecular Functional Materials City University of Hong Kong

Reducing CO2to carbon-neutral solar fuels can not only alleviate the energy demand but also mitigate the greenhouse *** present,developing an efficient non-noble metal photo/electrocatalytic system for converting CO2to a specific product beyond CO is still a big ***,we report a new cobalt complex bearing 2,2′-bi-1,10-phenanthroline ligand that can photocatalytically reduce CO2to formate （HCOO-）.Turnover number （TON） for HCOO-up to 677 with 99%selectivity can be achieved using organic dyes purpurin as photosensitizer and 1,3-dimethyl-2-phenyl-2,3-dihydro-1H-benzo[d]imidazole （BIH） as sacrificial reductant in a CO2-saturated NMP/TEA （v/v,3:1） solution under visible light *** potential electrolysis at-1.41 V （***/Ag Cl） in the presence of 12 m M Et3NHBF4also produced HCOO-with Faradaic efficiency of 39%.Spectroscopic and electrochemical studies suggest that a[CoI-H]species is the key intermediate for CO2reduction.

关键词： photocatalysis noble metal-free CO2 reduction formate cobalt hydride

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Microstructural evolution during the progressive transformation-induced plasticity effect in a Fe-0.1C-5Mnmedium manganese steel

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International Journal of Minerals,Metallurgy and Materials 2025年第2期32卷 369-379页

作者： Mei Zhang Wenhao Li Yangfei chen Yang Jiang Xiaofei Guo Han dong School of Materials Science and Engineering Shanghai UniversityShanghai 200444China State Key Laboratory of Advanced Special Steel Shanghai UniversityShanghai 200444China

The microstructural evolution of a cold-rolled and intercritical annealed medium-Mn steel(Fe-0.10C-5Mn)was investigated during uniaxial tensile ***-situ observations under scanning electron microscopy,transmission electron microscopy,and X-ray diffraction analysis were conducted to characterize the progressive transformation-induced plasticity process and associated fracture initiation *** findings were discussed with the local strain measurements via digital image *** results indicated that Lüders band formation in the steel was limited to 1.5%strain,which was mainly due to the early-stage martensitic phase transformation of a very small amount of the less stable large-sized retained austenite(RA),which led to localized stress concentrations and strain hardening and further retardation of *** small-sized RA exhibited high stability and progressively transformed into martensite and contributed to a stably extended Portevin-Le Chatelier *** volume fraction of RA gradually decreased from 26.8%to 8.2%prior to *** the late deformation stage,fracture initiation primarily occurred at the austenite/martensite and ferrite/martensite interfaces and the ferrite phase.

关键词： medium-Mn steel retained austenite progressive transformation-induced plasticity effect local strain fracture initiation

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AZD1775 synergizes with SLC7A11 inhibition to promote ferroptosis

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Science China Life Sciences 2025年第1期68卷 204-218页

作者： chen Xiong Hong Ling Yingdan Huang Hanzhi dong Bangxiang Xie Qian Hao Xiang Zhou Fudan University Shanghai Cancer Center and Institutes of Biomedical Sciences Fudan University Department of Oncology Shanghai Medical CollegeFudan University Department of Breast Surgery Fudan University Shanghai Cancer CenterFudan University Department of Oncology First Affiliated Hospital of Nanchang University Beijing Institute of Hepatology Beijing Youan HospitalCapital Medical University Beijing Engineering Research Center for Precision Medicine and Transformation of Hepatitis and Liver Cancer Key Laboratory of Breast Cancer in Shanghai Fudan University Shanghai Cancer CenterFudan University Shanghai Key Laboratory of Medical Epigenetics International Co-laboratory of Medical Epigenetics and Metabolism (Ministry of Science and Technology)Institutes of Biomedical SciencesFudan University

Tumor suppressor p53-mediated cell cycle arrest and DNA damage repair may exert cytoprotective effects against cancer therapies, including WEE1 inhibition. Considering that p53 activation can also lead to multiple types of cell death, the role of this tumor suppressor in WEE1 inhibitor-based therapies remains disputed. In this study, we reported that nucleolar stress-mediated p53 activation enhanced the WEE1 inhibitor AZD1775-induced ferroptosis to suppress lung cancer growth. Our findings showed that AZD1775 promoted ferroptosis by blocking cystine uptake, an action similar to that of Erastin. Meanwhile, inhibition of WEE1 by the WEE1 inhibitors or si RNAs induced compensatory upregulation of SLC7A11, which conferred resistance to ferroptosis. Mechanistically, AZD1775 prevented the enrichment of H3K9me3, a histone marker of transcriptional repression, on the SLC7A11 promoter by repressing the expression of the histone methyltransferase SETDB1, thereby enhancing NRF2-mediated SLC7A11 transcription. This finding was also validated using the H3K9me3 inhibitor BRD4770. Remarkably, we found that the nucleolar stress-inducing agent Actinomycin D(Act. D) inhibited SLC7A11 expression by activating p53, thus augmenting AZD1775-induced ferroptosis. Moreover, the combination of AZD1775 and Act. D synergistically suppressed wild-type p53-harboring lung cancer cell growth both in vitro and in vivo. Altogether, our study demonstrates that AZD1775 promotes ferroptosis by targeting cystine uptake but also mediates the adaptive activation of SLC7A11 through the WEE1-SETDB1 cascade and NRF2-induced transcription, and inhibition of SLC7A11 by Act. D boosts the anti-tumor efficacy of AZD1775 by enhancing ferroptosis in cancers with wild-type p53.

关键词： p53 NRF2 SLC7A11 WEE1 AZD1775 ferroptosis nucleolar stress

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Enhanced rate capability and cycle stability of Ti2C MXene for sodium storage through an aniline molecules welding strategy

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Tungsten 2025年第1期7卷 161-171页

作者： Hao chen Ya-Qin Wang dong-Ting Zhang Bei Zhao Min-Peng Li chen-Yang Li Tian-Peng Xu Mao-cheng Liu State Key Laboratory of Advanced Processing and Recycling of Non-Ferrous Metals Lanzhou University of Technology School of Materials Science and Engineering Lanzhou University of Technology School of Computer and Communication Technology Lanzhou University of Technology

MXenes obtained significant attention in the field of energy storage devices due to their characteristic layered structure,modifiable surface functional groups,large electrochemically active surface,and regulable interlayer ***,the self-restacking and sluggish ions diffusion kinetics performance of MXenes during the alkali metal ions insertion/extraction process severely impedes their cycle stability and rate *** paper proposes an aniline molecule welding strategy for welding p-phenylenediamine（PPDA） into the interlayers of Ti2C through a dehydration condensation *** welded PPDA molecules can contribute pillar effect to the layered structure of *** pillar effect effectively maintains the structural stability during the sodium ions insertion/extraction process and effectively expands the interlayer spacing of Ti2C from 1.16 to 1.38 nm,thereby enhancing ions diffusion kinetics performance and improving the long-term cycle *** Ti2C-PPDA demonstrates outstanding Na+storage capability,exhibiting a specific capacity of 100.2 mAh·g-1at a current density of 0.1 A·g-1over 960 cycles and delivering a remarkable rate capability 81.2 mAh·g-1at a current density of 5 A·*** study demonstrates that expanding interlayer spacing is a promising strategy to enhance the Na+storage capacity and improve long-term cycling stability,which provides significant guidance for the design of two-dimensional Na+storage materials with high-rate capability and cycle stability.

关键词： Diffusion kinetics Expanding interlayer spacing Rate capability Sodium ions storage Ti2C

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Modular assembly of Co4-thiacalix[4]arene units and Keggin-type SiW12O40 for visible-light photothermal conversion

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Tungsten 2025年第1期7卷 112-119页

作者： Jia-Hui Li Qing Zhao dong-Ao Mao Kun Zhou Bao-Kuan chen Yan-Feng Bi School of Petrochemical Engineering Liaoning Petrochemical University

The construction of metal-organic coordination clusters（MCCs） using modular secondary building units is an important method for preparing functional *** this study,two new MCCs modularly assembled from Keggin-type {SiW12O40}H4TC4A=p-tert-Butylthiacalix[4]arene(SiW12) units and thiacalixarene-supported Co4-thiacalix[4]arene(Co4-TC4A polynuclear second-building units（PSBUs,H4TC4A=p-tert-Butylthiacalix[4]arene） are *** two MCCs,abbreviated as Co4-SiW12and Co8-SiW12,were structurally characterized by single-crystal X-ray *** Co4-SiW12is a supramolecular structure involving cation-anion interactions between Co4-TC4A PSBUs and ***8-SiW12features "barbell-like" shapes with two Co4-TC4A coordinatively linked to a Keggin-type SiW12unit on opposite via W-O_t-Co *** coordination of Co4-TC4A to SiW12in Co8-SiW12resulted in significantly improved photothermal conversion performances compared with Co4-SiW12and pure SiW12or ***-gap determination and photophysical analysis combined with density functional theory calculations indicated the binding mode between Co4-TC4A PSBUs and SiW12,which considerably influences the way of electron transport and the conversion ability of visible light to heat.

关键词： Modular construction Photothermal conversion Polyoxometalate Thiacalixarene

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