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NbB_(2)Modified Al-Cu Alloys Fabricated by Freeze-Ablation Casting under High Cooling Rate Solidification

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Acta Metallurgica Sinica(English Letters) 2024年第5期37卷 921-938页

作者： Xiang Kong Yu wang hong Xu Haotian Fan Yuewu Zheng Beibei xie School of Materials Science and Engineering North University of ChinaTaiyuan 030051China

At present,improving the properties of aluminum alloys is generally achieved by increasing the cooling rate of the melt and adding micro-nano *** the cooling rate of the melt to improve the refining effect of grain refiner is still a difficult problem in the aluminum alloy casting *** innovative and environmentally friendly casting process,known as freeze ablation,was introduced during the preparation of an Al–NbB_(2) intermediate *** process significantly enhanced the cooling rate of the *** results indicated that the Al–NbB_(2) intermediate alloy produced under high cooling rates had a noticeable refining effect on Al–Cu alloys,with smaller NbB2 particles demonstrating superior refining *** average grain size of the refined Al–Cu alloy decreased from 154 to 69μm,the tensile strength increased by 12%,the fluidity increased by 18.4%,and the hot tearing index decreased from 144 to *** matching degree between NbB_(2) andα-Al was calculated using high-resolution transmission electron microscopy and the edge-to-edge *** was found that the atomic interplanar spacing and the interatomic spacing mismatch between NbB_(2)’splane and Al were both less than 10%,which further proved that NbB2 could serve as an effective nucleation site forα-Al grains to achieve grain refinement.

关键词： Grain refinement Freeze ablation Particle size control Mechanical properties Process properties

High-throughput calculations combining machine learning to investigate the corrosion properties of binary Mg alloys

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Journal of Magnesium and Alloys 2024年第4期12卷 1406-1418页

作者： Yaowei wang Tian xie Qingli Tang Mingxu wang Tao Ying hong Zhu Xiaoqin Zeng University of Michigan-Shanghai Jiao Tong University Joint Institute Shanghai Jiao Tong University200240ShanghaiChina State Key Laboratory of Metal Matrix Composites Shanghai Jiao Tong UniversityShanghai200240China

Magnesium(Mg)alloys have shown great prospects as both structural and biomedical materials,while poor corrosion resistance limits their further *** this work,to avoid the time-consuming and laborious experiment trial,a high-throughput computational strategy based on first-principles calculations is designed for screening corrosion-resistant binary Mg alloy with intermetallics,from both the thermodynamic and kinetic *** stable binary Mg intermetallics with low equilibrium potential difference with respect to the Mg matrix are firstly ***,the hydrogen adsorption energies on the surfaces of these Mg intermetallics are calculated,and the corrosion exchange current density is further calculated by a hydrogen evolution reaction(HER)kinetic *** intermetallics,e.g.Y_(3)Mg,Y_(2)Mg and La_(5)Mg,are identified to be promising intermetallics which might effectively hinder the cathodic ***,machine learning(ML)models are developed to predict Mg intermetallics with proper hydrogen adsorption energy employing work function(W_(f))and weighted first ionization energy(WFIE).The generalization of the ML models is tested on five new binary Mg intermetallics with the average root mean square error(RMSE)of 0.11 *** study not only predicts some promising binary Mg intermetallics which may suppress the galvanic corrosion,but also provides a high-throughput screening strategy and ML models for the design of corrosion-resistant alloy,which can be extended to ternary Mg alloys or other alloy systems.

关键词： Mg intermetallics Corrosion property High-throughput Density functional theory Machine learning

Facile access to C-N bonds via unexpected side reactions of Knoevenagel condensation and their application in high-efficiency organic solar cells

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Science China Chemistry 2024年第1期67卷 323-329页

作者： Daobin Yang Shuncheng Yang hong.ian wang.lin xie Pengyu Yan Ziyi Ge Zhejiang Engineering Research Center for Energy Optoelectronic Materials and Devices Ningbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingbo 315201China School of Materials Science and Chemical Engineering Ningbo UniversityNingbo 315211China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of SciencesBeijing 100049China

The construction of C-N bonds is of great importance in the fields of biology,medicine,chemistry and materials ***,the replacement of organic base from pyridine to piperidine in the Knoevenagel condensation process unexpectedly yields a series of novel organic molecules containing C-N ***,the synthesis method does not require any external transition-metals catalysis,and photo-/***,when the new compound 1b is added as a third component to a well-known binary system of PM6:Y6,the efficiency of the organic solar cell is significantly improved,resulting in an outstanding efficiency of 18.0%,which is one of the highest values reported to date for PM6:Y6-based ternary organic solar cells.

关键词： C-N bonds Knoevenagel condensation cross-coupling reaction third component organic solar cells

Tetraphenylethene-based hole transporting material for highly efficient and stable perovskite solar cells

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Science China Chemistry 2024年第6期67卷 2009-2015页

作者： Peng wang Pei Yuan Chenghao Ge Rongjun Zhao lin xie Yong Hua School of Materials and Energy Yunnan UniversityKunming650091China

2,2,7,7-Tetrakis-(N,N-di-p-methoxyphenylamine)-9,9-spirobifluorene(Spiro-OMeTAD)has been identified as the most widely used and effective hole transporting material(HTM)in perovskite solar cells(PSCs).However,the complicated multistep synthesis and low intrinsic hole mobility of Spiro-OMe TAD limit its commercialized ***,developing highly efficient HTMs with less synthetic steps becomes increasingly ***,understanding hot carriers transfer dynamics at the interface of perovskite layer and hole transport layer is crucial for further enhancing PSCs performance towards Shockley-Queisser limit,which still lacks full investigation to ***,a new HTM based on tetraphenylethene(WP1)was successfully synthesized by a simple one-step reaction *** was found that WP1-based HTM exhibits more matched energy level,higher hole mobility and conductivity than those of the control Spiro-OMe *** femtosecond transient absorption results reveal that the transfer rate of hot holes in perovskite/WP1 sample is four times higher than that of perovskite/Spiro-OMeTAD,thereby helping enhance the device ***,the efficiency of PSCs is enhanced to 24.04%(WP1)from 22.85%(Spiro-OMeTAD).Moreover,the un-encapsulated device prepared with WP1 exhibits better long-term stability,retaining 87%of its initial PCE value after storing for 72 days under air environment,while the reference device shows76%of its initial *** work indicates that simple tetraphenylethene-based organic small molecule could be a very promising HTM candidate for highly efficient PSCs,and gives some significant insights for understanding intrinsic hot carriers transfer dynamics in device.

关键词： tetraphenylethene hole transporting material perovskite solar cells mobility hot carrier

Phonon-blockade-based multiple-photon bundle emission in a quadratically coupled optomechanical system

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Frontiers of physics 2024年第3期19卷 207-215页

作者： Ye-Jun Xu hong xie Interdisciplinary Research Center of Quantum and Photoelectric Information Chizhou UniversityChizhou 247000China Department of Mathematics and Physics Fujian Jiangxia UniversityFuzhou 350108China

We propose a scheme to realize antibunched multiple-photon bundles based on phonon blockade in a quadratically coupled optomechanical *** adjusting the detunings to match the conditions of phonon blockade in the photon sidebands,we establish super-Rabi oscillation between zero-photon state and multiple-photon states with adjustable super-Rabi frequencies under appropriate single-phonon resonant *** the system dissipation into account,we numerically calculate the standard and generalized second-order functions of the cavity mode as well as the quantum trajectories of the state populations with Monte Carlo simulation to confirm that the emitted photons form antibunched multiple-photon ***,the desirable n-photon states are reconstructed after a direct phonon emission based on phonon blockade,and thus the single-phonon emission heralds the cascade emission of n-photon *** proposal shows that the optomechanical system can simultaneously behave as antibunched multiple-photon emitter and single-phonon *** a nonclassical source could have potential applications in quantum information science.

关键词： multiple-photon bundle emission phonon blockade optomechanical system

A computational model to identify fertility-related proteins using sequence information

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Frontiers of Computer Science 2024年第1期18卷 229-237页

作者： Yan lin Jiashu wang Xiaowei LIU Xueqin xie De WU Junjie ZHANG Hui DING Key Laboratory for Animal Disease-Resistance Nutrition of the Ministry of Agriculture Animal Nutrition InstituteSichuan Agricultural UniversityChengdu 611130China School of Life Science and Technology and Center for Informational Biology University of Electronic Science and Technology of ChinaChengdu 610054China

Fertility is the most crucial step in the development process,which is controlled by many fertility-related proteins,including spermatogenesis-,oogenesis-and embryogenesis-related *** identification of fertility-related proteins can provide important clues for studying the role of these proteins in ***,in this study,we constructed a two-layer classifier to identify fertility-related *** this classifier,we first used the composition of amino acids(AA)and their physical and chemical properties to code these three fertility-related ***,the feature set is optimized by analysis of variance(ANOVA)and incremental feature selection(IFS)to obtain the optimal feature *** five-fold cross-validation(CV)and independent data tests,the performance of models constructed by different machine learning(ML)methods is evaluated and ***,based on support vector machine(SVM),we obtained a two-layer model to classify three fertility-related *** the independent test data set,the accuracy(ACC)and the area under the receiver operating characteristic curve(AUC)of the first layer classifier are 81.95%and 0.89,respectively,and them of the second layer classifier are 84.74%and 0.90,*** results show that the proposed model has stable performance and satisfactory prediction accuracy,and can become a powerful model to identify more fertility related proteins.

关键词： sfertility-related proteins machine1 learning sequence information feature selection

Intake of tobacco nitrosamines of smokers in various provinces of China and their cancer risk:A meta-analysis

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Journal of Environmental Sciences 2024年第7期141卷 249-260页

作者： Xiao Li Zhiwei Ye Jun wang Pengfei lin Xiaojin Zhang Shuguang xie Chao Chen Research Institute for Environmental Innovation(Suzhou) TsinghuaSuzhouJiangsu 215163China State Key Joint Laboratory of Environmental Simulation and Pollution Control School of EnvironmentTsinghua UniversityBeijing 100084China Shenzhen Key Laboratory of Organic Pollution Prevention and Control State Key Laboratory of Urban Water Resource and EnvironmentHarbin Institute of TechnologyShenzhen 518055China State Key Joint Laboratory of Environmental Simulation and Pollution Control College of Environmental Science and EngineeringPeking UniversityBeijing 100871China

Nitrosamines are a class of carcinogens which have been detected widely in food,water,some pharmaceuticals as well as *** objectives of this paper include reviewing the basic information on tobacco consumption and nitrosamine contents,and assessing the health risks of tobacco nitrosamines exposure to Chinese *** searched the publications in English from“Web of Science”and those in Chinese from the“China National Knowledge Infrastructure”in 2022 and collected 151 literatures with valid *** content of main nitrosamines in tobacco,including 4-(methylnitrosoamino)-1-(3-pyridyl)-1-butanone(NNK),N-nitrosonornicotine(NNN),N-nitrosoanatabine(NAT),N-nitrosoanabasine(NAB),total tobacco-specific nitrosamines(TSNA),and N-nitrosodimethylamine(NDMA)were *** information of daily tobacco consumption of smokers in 30 provinces of China was also ***,the intakes of NNN,NNK,NAT,NAB,TSNAs,and NDMA via tobacco smoke were estimated as 1534ng/day,591 ng/day,685 ng/day,81 ng/day,2543 ng/day,and 484 ng/day by adult smokers in30 provinces,*** cancer risk(CR)values for NNN and NNK inhalation intake were further calculated as 1.44×10^(-5)and 1.95×10^(-4).The CR value for NDMA intake via tobacco smoke(inhalation:1.66×10^(-4))indicates that NDMA is similarly dangerous in tobacco smoke when compared with the *** China,the CR values caused by average nitrosamines intake via various exposures and their order can be estimated as the following:smoke(3.75×10^(-4))>food(1.74×10^(-4))>drinking water(1.38×10^(-5)).Smokers in China averagely suffer 200%of extra cancer risk caused by nitrosamines in tobacco when compared with non-smokers.

关键词： N-nitrosamine Tobacco Cancer risk Tobacco specific nitrosamines(TSNAs) N-nitrosodimethylamine(NDMA)

BTF3L4 Overexpression Mediates APAP-induced Liver Injury in Mouse and Cellular Models

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Journal of Clinical and Translational Hepatology 2024年第3期12卷 245-256页

作者： Junchao lin Aqiang Fan Zhujin Yifu Qibing xie Liu hong Wei Zhou State Key Laboratory of Cancer Biology National Clinical Research Center for Digestive Diseases and Xijing Hospital of Digestive DiseasesAir Force Military Medical UniversityXi’anShaanxiChina Department of Digestive Surgery Xijing HospitalAir Force Military Medical UniversityXi’anShaanxiChina

Background and Aims:Acetaminophen(APAP)-induced liver injury(AILI)has an increasing incidence ***,the mechanisms contributing to such liver injury are largely unknown and no targeted therapy is currently *** study aimed to investigate the effect of BTF3L4 overexpression on apoptosis and inflammation regulation in vitro and in ***:We performed a proteomic analysis of the AILI model and found basic transcription factor 3 like 4(BTF3L4)was the only outlier transcription factor overexpressed in the AILI model in ***3L4 overexpression increased the degree of liver injury in the AILI ***:BTF3L4 exerts its pathogenic effect by inducing an inflammatory response and damaging mitochondrial *** BTF3L4 expression increases the degree of apoptosis,reactive oxygen species generation,and oxidative stress,which induces cell death and liver *** damage of mitochondrial function by BTF3L4 triggers a cascade of events,including reactive oxygen species accumulation and oxidative *** to the available AILI data,BTF3L4 expression is positively associated with inflammation and may be a potential biomarker of ***:Our results suggest that BTF3L4 is a pathogenic factor in AILI and may be a potential diagnostic maker for AILI.

关键词： BTF3L4 APAP-induced liver injury Apoptosis Mitochondrial morphology Inflammation

BAR:a branch-alternation-resorting algorithm for locality exploration in graph processing

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High Technology Letters 2024年第1期30卷 31-42页

作者：邓军勇 wang Junjie JianG lin xie Xiaoyan ZHOU Kai School of Electronic Engineering Xi'an University of Posts and TelecommunicationsXi'an 710121P.R.China School of Computer Xi'an University of Science and TechnologyXi'an 710054P.R.China School of Computer Xi'an University of Posts and TelecommunicationsXi'an 710121P.R.China

Unstructured and irregular graph data causes strong randomness and poor locality of data accesses in graph *** paper optimizes the depth-branch-resorting algorithm(DBR),and proposes a branch-alternation-resorting algorithm(BAR).In order to make the algorithm run in parallel and improve the efficiency of algorithm operation,the BAR algorithm is mapped onto the reconfigurable array processor(APR-16)to achieve vertex reordering,effectively improving the locality of graph *** paper validates the BAR algorithm on the GraphBIG framework,by utilizing the reordered dataset with BAR on breadth-first search(BFS),single source shortest paht(SSSP)and betweenness centrality(BC)algorithms for *** results show that compared with DBR and Corder algorithms,BAR can reduce execution time by up to 33.00%,and 51.00%*** terms of data movement,the BAR algorithm has a maximum reduction of 39.00%compared with the DBR algorithm and 29.66%compared with Corder *** terms of computational complexity,the BAR algorithm has a maximum reduction of 32.56%compared with DBR algorithm and53.05%compared with Corder algorithm.

关键词： graph processing vertex reordering branch-alternation-resorting algorithm(BAR) reconfigurable array processor