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Multidisciplinary and multiscale nanoscience research roadmap based on large scientific facilities

Science China Chemistry 2024年第8期67卷 2497-2523页

作者： yuan Zeng Shuhan zhang yuecong Guo Yalin Cong Xu Ding Peihua Li yunxiang Lin Wenzhi Ren Hui Su Weigang Sun Liuxin Xu Guikai zhang Shihua Chen yu Chen Weiren Cheng Shengqi Chu Yong Guan Jinru Han Jie Lin Hengjie Liu Zheyi Liu Pan Luo Fanchun Meng Sicong Qiao Zongyin Song Ying Wang Zhao Wu Chenyu Yang Meng Yang Shirui Yang Zi Yin Zhibin Yin Pengjun zhang Hongyu zhang Pingping Zheng Jia Zhou Wanlin Zhou Pengfei An He Cheng Chunhai Fan Xingjiu Huang Yong Lei Lina Li Mu Li Qinghua Liu Shuming Peng Li Song Zhihu Sun Yangchao Tian Fangjun Wang Lihua Wang Liming Wang Shiqiang Wei Aiguo Wu Chunlei Xiao Xueming Yang Panchao Yin Jing zhang Mingxin zhang Yaling Wang Chunying Chen CAS Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety New Cornerstone Science LaboratoryNational Center for Nanoscience and TechnologyBeijing 100190China University of Chinese Academy of Sciences Beijing 100049China National Synchrotron Radiation Laboratory University of Science and Technology of ChinaHefei 230029China Institute of Solid State Physics Hefei Institutes of Physical ScienceChinese Academy of SciencesHefei 230031China Institutes of Physical Science and Information Technology Anhui UniversityHefei 230601China Ningbo Key Laboratory of Biomedical Imaging Probe Materials and Technology Zhejiang International Cooperation Base of Biomedical Materials Technology and ApplicationCAS Key Laboratory of Magnetic Materials and DevicesNingbo Cixi Institute of Biomedical EngineeringZhejiang Engineering Research Center for Biomedical MaterialsNingbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingbo 315201China Advanced Energy Science and Technology Guangdong Laboratory Huizhou 516000China College of Chemistry and Chemical Engineering Hunan Normal UniversityChangsha 410081China State Key Laboratory of Luminescent Materials and Devices South China Advanced Institute for Soft Matter Science and TechnologySouth China University of TechnologyGuangzhou 510640China Beijing Synchrotron Radiation Facility Institute of High Energy PhysicsChinese Academy of SciencesBeijing 100049China CAS Key Laboratory of Separation Sciences for Analytical Chemistry Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China State Key Laboratory of Molecular Reaction Dynamics Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China Institute of Advanced Science Facilities Shenzhen 518107China State Key Laboratory of Coal Conversion Institute of Coal ChemistryChinese Academy of SciencesTaiyuan 030001China State Key Laboratory of Particle Detection and Electronics Institute of High Energy PhysicsChinese Acade

With the advancement of modern science and technology, large scientific facilities are increasingly oriented toward demand and application, and can be used for basic research as well as serving multiple disciplines. Developing large scientific facilities and related analytical technologies enhances understanding of large scientific facilities and popularizes their application in research across multiple disciplines. The combination of light or neutron sources from large scientific facilities and advanced analytical technologies can be achieved for materials structure information, dynamics study of chemical reactions, high dissociation of biomolecules, 3D visualization of energy materials or biological samples, etc. We first introduce the progress of domestic large scientific facilities of synchrotron radiation(SR) and free electron lasers(FELs) with different wavelengths and neutron *** further discuss the comparison between Chinese and typical foreign facilities in X-ray radiation from X-ray tubes, synchrotrons, X-ray FELs, and neutron sources based on physical parameters of light and neutron sources. In addition, we focus on the technological progress and perspectives combined with advanced X-ray radiation and neutron sources of large scientific facilities in China, especially in the nanoscience fields of energy catalysis and biological science. We hope that this roadmap will provide references on technology and methods to experimental users, as well as prospects for future development of technologies based on large research infrastructure facilities. Comprehensive studies and guidelines for basic research to practical application in various disciplines can be made with the assistance of large scientific facilities.

关键词： large scientific facilities synchrotron radiation FEL light sources neutron sources spectroscopic analysis methods X-ray imaging techniques structural information chemical dynamics

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Dissolution behavior of Al_(2)O_(3)inclusions into CaO-MgO-SiO_(2)-Al_(2)O_(3)-TiO_(2)system ladle slags

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International Journal of Minerals,Metallurgy and Materials 2024年第5期31卷 977-987页

作者： Zhiyin Deng Xiaomeng zhang Guangyu Hao Chunxin Wei Miaoyong Zhu Key Laboratory for Ecological Metallurgy of Multimetallic Mineral(Ministry of Education) Northeastern UniversityShenyang 110819China School of Metallurgy Northeastern UniversityShenyang 110819China TBEA Shenyang Transformer Group Co. Ltd.Shenyang 110141China Angang Steel Co. Ltd.Anshan 114021China

To investigate the dissolution behaviors of Al_(2)O_(3)inclusions in CaO-5wt%MgO-SiO_(2)-30wt%Al_(2)O_(3)-TiO_(2)system ladle slags,confocal scanning laser microscopy was conducted on the slags with different TiO_(2)contents(0-10wt%),and scanning electron microscopy was performed to study the interfacial reaction between Al_(2)O_(3)and this slag *** results disclose that the dissolution of Al_(2)O_(3)inclusions does not result in the formation of new phases at the boundary between the slag and the *** TiO_(2)-bearing and TiO_(2)-free ladle slags,there is no difference in the dissolution mechanism of Al_(2)O_(3)inclusions at steelmaking *** layer diffusion is found as the controlling step of the dissolution of Al_(2)O_(3),and the diffusion coefficient is in the range of 4.18×10^(-10)to 2.18×10^(-9)m^(2)/s at 1450-1500℃.Compared with the solubility of Al_(2)O_(3)in the slags,slag viscosity and temperature play a more profound role in the dissolution of Al_(2)O_(3)inclusions.A lower viscosity and a lower melting point of the slags are beneficial for the *** addition of TiO_(2)(e.g.,5wt%)in ladle slags can enhance the dissolution of Al_(2)O_(3)inclusions because of the low viscosity and melting point of the slags,while excessive addition of TiO_(2)(e.g.,10wt%)shows the opposite trend.

关键词： inclusions dissolution ladle refining slag titanium dioxide confocal scanning laser microscopy

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Straw return decreases polycyclic aromatic hydrocarbon (PAH) accumulation in winter wheat and human health risk by enhancing PAH dissipation in rhizosphere soil

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Pedosphere 2024年第4期34卷 699-708页

作者： Jun CAI He zhang Xiangyao WU Yifan LIU yunmei WU Jinfeng WANG Chuangye zhang Benhua SUN Fuyong WU College of Natural Resources and Environment Northwest A&F UniversityYangling 712100China Key Laboratory of Plant Nutrition and the Agri-environment in Northwest China Ministry of AgricultureYangling 712100China

Straw return in situ,a common agronomic measure in China,has been widely used not only to increase crop yields and improve soil nutrients but also to remove polycyclic aromatic hydrocarbons(PAHs)from agricultural ***,the safety risks of food crops(i.e.,human health risk of wheat grains)grown in PAHs-contaminated agricultural soils amended with crop straw remain uncertain.A pot experiment was conducted in a PAHs-contaminated agricultural soil cultivated with winter wheat under different ratios of corn straw addition(0%(control,CK),1%,2.5%,and 5%,weight/weight).Results showed that corn straw addition significantly(P<0.05)decreased PAH concentrations in rhizosphere soil,roots,straws,and grains by 48.32%–50.01%,11.85%–42.67%,9.78%–28.03%,and 14.16%–31.67%,respectively,compared with CK,whereas the transfer factors of PAHs from roots to straws were significantly(P<0.05)increased.A correlation heatmap showed that PAH concentrations in roots,straws,and grains were positively(P<0.01)correlated with those in rhizosphere *** indicated that corn straw decreased PAH accumulation in winter wheat due to the increase of PAH dissipation in the rhizosphere soil,although it enhanced PAH transfer in winter *** incremental lifetime cancer risk(ILCR)model indicated that corn straw significantly(P<0.05)decreased the human health risk of winter wheat grains by 29.73%–45.05%.Overall,corn straw apparently reduced PAH accumulation in winter wheat,ecological risk,and human health risk via enhancing PAH dissipation in the rhizosphere *** findings provide an important scientific basis and theoretical guidance for agricultural safety production.

关键词： corn straw addition ecological risk food crops incremental lifetime cancer risk transfer factor

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Subsoil tillage enhances wheat productivity,soil organic carbon and available nutrient status in dryland fields

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Journal of Integrative Agriculture 2024年第1期23卷 251-266页

作者： Qiuyan Yan Linjia Wu Fei Dong Shuangdui Yan Feng Li Yaqin Jia Jiancheng zhang Ruifu zhang Xiao Huang Institute of Wheat Research Shanxi Agricultural UniversityLinfen 041000China State Key Laboratory of Sustainable Dryland Agriculture(in preparation) Shanxi Agricultural UniversityTaiyuan 030031China College of Resources and Environment Shanxi Agricultural UniversityTaigu 030801China Jiangsu Key Lab and Engineering Center for Solid Organic Waste Utilization National Engineering Research Center for Organicbased FertilizersNanjing Agricultural UniversityNanjing 210095China

Tillage practices during the fallow period benefit water storage and yield in dryland wheat ***,there is currently no clarity on the responses of soil organic carbon(SOC),total nitrogen(TN),and available nutrients to tillage practices within the growing *** study evaluated the effects of three tillage practices(NT,no tillage;SS,subsoil tillage;DT,deep tillage)over five years on soil physicochemical *** samples at harvest stage from the fifth year were analyzed to determine the soil aggregate and aggregate-associated C and N *** results indicated that SS and DT improved grain yield,straw biomass and straw carbon return of wheat compared with *** contrast to DT and NT,SS favored SOC and TN concentrations and stocks by increasing the soil organic carbon sequestration rate(SOCSR)and soil nitrogen sequestration rate(TNSR)in the 0-40 cm *** SOC levels under SS and NT were associated with greater aggregate-associated C fractions,while TN was positively associated with soluble organic nitrogen(SON).Compared with DT,the NT and SS treatments improved soil available nutrients in the 0-20 cm *** findings suggest that SS is an excellent practice for increasing soil carbon,nitrogen and nutrient availability in dryland wheat fields in North China.

关键词： tillage dryland wheat fields soil aggregate size soil nutrients soil carbon and nitrogen fractions

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A CAD-BEM geometry transformation method for face-based primary geometric input based on closed contour recognition

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Building Simulation 2024年第2期17卷 335-354页

作者： Jun Xiao Hao Zhou Shiji Yang Deyin zhang Borong Lin Department of Building Science School of ArchitectureTsinghua UniversityBeijing100084China Key Laboratory of Eco Planning&Green Building Ministry of EducationTsinghua UniversityBeijing100084China Institute for Urban Governance and Sustainable Development Tsinghua UniversityBeijing100084China

Performance analysis during the early design stage can significantly reduce building energy ***,it is difficult to transform computer-aided design(CAD)models into building energy models(BEM)to optimize building *** model structures for CAD and BEM are *** this study,geometry transformation methods was implemented in BES tools for the early design stage,including auto space generation(ASG)method based on closed contour recognition(CCR)and space boundary topology calculation *** program is developed based on modeling tools SketchUp to support the CAD format(like*.stl,*.dwg,*.ifc,etc.).It transforms face-based geometric information into a zone-based tree structure model that meets the geometric requirements of a single-zone BES combined with the other thermal parameter inputs of the *** addition,this study provided a space topology calculation method based on a single-zone BEM *** program was developed based on the SketchUp modeling tool to support additional CAD formats(such as*.stl,*.dwg,*.ifc),which can then be imported and transformed into*.*** to current methods mostly focused on BIM-BEM transformation,this method can ensure more modeling *** method was integrated into a performance analysis tool termed MOOSAS and compared with the current version of the transformation *** were tested on a dataset comprising 36 conceptual models without partitions and six real cases with detailed *** ensures a transformation rate of two times in any bad model condition and costs only 1/5 of the time required to calculate each room compared to the previous version.

关键词： geometry transformation building energy model computer aid design closed contour recognition

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Modified Sadowski formula-based model for the slope shape amplification effect under multistage slope blasting vibration

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International Journal of Mining Science and Technology 2024年第5期34卷 631-641页

作者： Xiaogang Wu Mingyang Wang Hao Lu Yongjun zhang Wen Nie State Key Laboratory of Disaster Prevention&Mitigation of Explosion&Impact Army Engineering University of PLANanjing 210007China State Key Laboratory of Metal Mine Safety and Health Ma’anshan 243000China School of Civil Engineering Qingdao University of TechnologyQingdao 266520China

Blasting operations,which are crucial to open-pit mine production due to their simplicity and efficiency,require precise control through accurate vibration velocity *** conventional Sadowski formula mainly focuses on blast center distance but neglects the amplification effect of blasting vibration waves by terraced terrain,from which the calculated blasting vibration velocities are smaller than the actual values,affecting the safety of the *** address this issue,our model introduces the influences of slope and time into Sadowski formula to measure safety through blast vibration *** the northern section of the open-pit quartz mine in Jinchang City,Gansu Province,China,the data of a continuous blasting slope project are referred *** findings reveal a noticeable vibration amplification effect during blasting when a multi-stage slope platform undergoes a sudden cross-sectional change near the upper overhanging *** amplification vibration coefficient increases with height,while vibration waves within rocks decrease from bottom to ***,platforms without distinct crosssectional changes exhibit no pronounced amplification during *** addition,the vibration intensity decreases with distance as the rock height difference change *** results obtained by the proposed blast vibration displacement equation incorporating slope shape influence closely agree with real-world *** to Pearson correlation coefficient(PPMCC)analysis,the average accuracy rate of our model is 88.84%,which exceeds the conventional Sadowski formula(46.92%).

关键词： Multistage slope Slope shape influence factor Continuous blasting Sadowski formula Amplification effect

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Comparison of tailpipe carbonyls and volatile organic compounds emissions from in-use gasoline/CNG bi-fuel vehicles

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Journal of Environmental Sciences 2024年第1期135卷 619-629页

作者： Jiachen Li yunshan Ge Xin Wang Mengzhu zhang Haohao Wang School of Mechanical Engineering Beijing Institute of TechnologyBeijing 100081China

Ground-level ozone contamination has been globally an urban air quality issue,particularly for China,which has recently made significant progress in purifying its *** exhaust emissions from motor vehicles,predominantly carbonyls and volatile organic compounds(VOCs),are among the leading contributors to ozone *** this chassislevel study,the unregulated emissions from five China-5 certified gasoline/CNG bi-fuel taxis,along with their ozone forming potential(OFP),were *** is found that carbonyls and VOCs were mainly emitted during the starting phase no matter the engine was cold or *** to gasoline,CNG fueling reduced VOCs emissions on a large scale,especially in the starting phase,but had elevated *** a fleet average,CNG fueling derived 15%and 46%less OFP than gasoline in cold-and hot-start tests,*** contributed to over 90%of the total OFP of the *** terms of alleviating ground-level ozone contamination,CNG is a feasible alternative to gasoline on light-duty vehicles.

关键词： CNG Gasoline Carbonyls VOCs OFP

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Stability analysis of a liquid crystal elastomer self-oscillator under a linear temperature field

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Applied Mathematics and Mechanics(English Edition) 2024年第2期45卷 337-354页

作者： Haiyang WU Jiangfeng LOU Biao zhang yuntong DAI Kai LI School of Civil Engineering Anhui Jianzhu UniversityHefei 230601China

Self-oscillating systems abound in the natural world and offer substantial potential for applications in controllers,micro-motors,medical equipments,and so ***,numerical methods have been widely utilized for obtaining the characteristics of self-oscillation including amplitude and ***,numerical methods are burdened by intricate computations and limited precision,hindering comprehensive investigations into self-oscillating *** this paper,the stability of a liquid crystal elastomer fiber self-oscillating system under a linear temperature field is studied,and analytical solutions for the amplitude and frequency are ***,we establish the governing equations of self-oscillation,elucidate two motion regimes,and reveal the underlying ***,we conduct a stability analysis and employ a multi-scale method to obtain the analytical solutions for the amplitude and *** results show agreement between the multi-scale and numerical *** research contributes to the examination of diverse self-oscillating systems and advances the theoretical analysis of self-oscillating systems rooted in active materials.

关键词： self-oscillation stability analysis multi-scale method liquid crystal elastomer linear temperature field

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Giant low-field reversible magnetocaloric effect at liquid helium temperature of niobium and iron co-substituted EuTiO_(3) compounds

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Journal of Rare Earths 2024年第4期42卷 710-715页

作者： Zhihong Hao Quanyi Liu Huicai Xie Yan zhang Zhaojun Mo School of Rare Earth and New Materials Engineering Ganzhou Innovation Center of Rare Earth Permanent Magnet Material Advanced Manufacturing and Intelligent Equipment TechnologyGannan University of Science and TechnologyGanzhou341000China Ganjiang Innovation Academy Chinese Academy of SciencesGanzhou34119China School of Materials Science and Engineering Taiyuan University of Science and TechnologyTaiyuan030024China

Giant magnetocaloric effect(MCE)materials in the liquid helium temperature region have attracted a lot of attention in the field of low-temperature magnetic refrigeration(MR).In this study,a series of niobium(Nb)and iron(Fe)co-substituted EuTiO_(3) perovskites with cubic structure(space group pm3m)was successfully fabricated,and their magnetic properties as well as cryogenic magnetocaloric effects were investigated in *** expected,the introduction of Nb and Fe can significantly modulate the magnetic phase transition and magnetocaloric effect of the EuTiO_(3) *** increasing Fe concentration,two local minima corresponding to the AFM-FM magnetic phase transition near 5.0 K and FM-PM transition near 10 K with no hysteresis in the thermomagnetic curves are observed,which is attributed to an enhancement of FM *** the same time,the gradually widened-ΔSM-T curves and the two peaks with a broad shoulder lead to considerable refrigeration capacity(RC).With the field change ofΔH=2 T,the calculated values of-ΔS_(M)^(max) for the EuTi_(0.9375-x)Nb_(0.0625)Fe_(x)O_(3)(x=0.075,0.1,0.125,0.15)compounds are 24.2,17.6,14.5 and 14.0 J/(kg·K),*** corresponding RC values were calculated to be 144.6,138.3,151.2 and 159 J/kg,***,the values of-ΔS_(M)^(max) for EuTi_(0.8625)Nb_(0.0625)Fe_(0.075)O_(3) are 8.6 and 15.1 J/(kg·K)under low field changes of 0.5 and 1 T,*** giant low-field reversible magnetocaloric effect makes them attractive candidates for magnetic refrigeration in the liquid helium temperature region.

关键词： Magnetocaloric effect Refrigeration capacity Magnetic entropy change Rareearths

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Light-Activated Virtual Sensor Array with Machine Learning for Non-Invasive Diagnosis of Coronary Heart Disease

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Nano-Micro Letters 2024年第12期16卷 427-448页

作者： Jiawang Hu Hao Qian Sanyang Han Ping zhang yuan Lu Department of Chemical Engineering Tsinghua UniversityBeijing 100084People’s Republic of China Key Laboratory of Industrial Biocatalysis Ministry of EducationTsinghua UniversityBeijing 100084People’s Republic of China Department of Cardiology Xuanwu HospitalCapital Medical UniversityBeijing 100053People’s Republic of China Department of Cardiology Beijing Tsinghua Changgung HospitalSchool of Clinical MedicineTsinghua UniversityBeijing 102218People’s Republic of China Institute of Biopharmaceutical and Health Engineering Shenzhen International Graduate SchoolTsinghua UniversityShenzhen 518055People’s Republic of China

Early non-invasive diagnosis of coronary heart disease(CHD)is ***,it is challenging to achieve accurate CHD diagnosis via detecting *** this work,heterostructured complexes of black phosphorus(BP)and two-dimensional carbide and nitride(MXene)with high gas sensitivity and photo responsiveness were formulated using a self-assembly strategy.A light-activated virtual sensor array(LAVSA)based on BP/Ti_(3)C_(2)Tx was prepared under photomodulation and further assembled into an instant gas sensing platform(IGSP).In addition,a machine learning(ML)algorithm was introduced to help the IGSP detect and recognize the signals of breath samples to diagnose *** to the synergistic effect of BP and Ti_(3)C_(2)Tx as well as photo excitation,the synthesized heterostructured complexes exhibited higher performance than pristine Ti_(3)C_(2)Tx,with a response value 26%higher than that of pristine Ti_(3)C_(2)*** addition,with the help of a pattern recognition algorithm,LAVSA successfully detected and identified 15 odor molecules affiliated with alcohols,ketones,aldehydes,esters,and ***,with the assistance of ML,the IGSP achieved 69.2%accuracy in detecting the breath odor of 45 volunteers from healthy people and CHD *** conclusion,an immediate,low-cost,and accurate prototype was designed and fabricated for the noninvasive diagnosis of CHD,which provided a generalized solution for diagnosing other diseases and other more complex application scenarios.

关键词： Black phosphorus/MXene heterostructures Light-activated virtual sensor array Diagnosis of coronary heart disease Machine learning

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