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BL03HB: a Laue microdiffraction beamline for both protein crystallography and materials science at SSRF

Nuclear Science and Techniques 2024年第7期35卷 68-78页

作者： Zhi-Jun Wang Si-Sheng Wang Zheng-Huang Su Li yu yu-Zhu Wang Bo Sun Wen Wen xing-yu gao Shanghai Advanced Research Institute Chinese Academy of SciencesShanghai201210China University of Chinese Academy of Science Beijing100049China

A Laue microdiffraction beamline(BL03HB) was constructed at the Shanghai Synchrotron Radiation Facility(SSRF).This beamline features two consecutive focusing points in two different sectors within its end station, the first dedicated to protein crystallography and the other tailored to materials science applications. Based on a superbend dipole magnet with a magnetic field of 2.29 T, a two-stage focusing design was implemented with two sets of Kirkpatrick-Baez mirrors to achieve a micro white beam as small as 4.2 μ m ×4.3 μ m at the first sector and 0.9 μ m ×1.3 μ m at the second sector in the standard beamline operation mode at SSRF. The X-ray microbeam in the two sectors can be easily switched between monochromatic and white beams by moving a four-bounce monochromator in or out of the light path, respectively. In the protein crystallography sector, white-beam Laue microdiffraction was demonstrated to successfully determine the structure of protein crystals from only a few images of diffraction data collected by a Pilatus 2 M area detector. In the materials science sector,the white-beam Laue diffraction was collected in a reflection geometry using another Pilatus 2 M area detector, which could map the microstructural distribution on the sample surface by scanning the samples. In general, the BL03HB beamline promotes the application of Laue microdiffraction in both protein crystallography and materials science. This paper presents a comprehensive overview of the BL03HB beamline, end station, and the first commission results.

关键词： Crystallography White-beam Laue microdiffraction Beamline Synchrotron

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Surface diffraction beamline at the SSRF

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Nuclear Science and Techniques 2024年第7期35卷 47-57页

作者： yue-Liang Gu Xu Zheng xing-Min Zhang Bin Zhao Guang-Zhi Yin Da-Ming Zhu yuan-He Sun xing-yu gao Xiao-Long Li Shanghai Advanced Research Institute Chinese Academy of Sciences239 Zhangheng RoadPudong DistrictShanghai201204China

BL02U2 of the Shanghai Synchrotron Radiation Facility is a surface diffraction beamline with a photon flux of 5.5×10^(12) photons/s at 10 keV and a beam size of 160µm×80µm at the sample *** is dedicated to studying surfaces(solid-vacuum,solid-gas)and interfaces(solid-solid,solid-liquid,and liquid-liquid)in nanoscience,condensed matter,and soft matter systems using various surface scattering techniques over an energy range of 4.8-28 keV with transmission and reflection ***,BL02U2 has a high energy resolution,high angular resolution,and low beam divergence,which can provide excellent properties for X-ray diffraction experiments,such as grazing incident X-ray diffraction,X-ray reflectivity,crystal truncation rods,and liquid X-ray *** of in situ environments can also be provided for the samples *** paper describes the setup of the new beamline and its applications in various fields.

关键词： Surface and interface Beamline Surface diffraction Microstructure

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Elaborating strengthen mechanism of Pt-Ir solid solution superalloy at finite temperature

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Rare Metals 2024年第3期43卷 1243-1256页

作者： Wei yu Xiao-yu Chong yun-Xuan Zhou Meng-Di Gan Ying-Xue Liang Yan Wei Ai-Min Zhang Chang-Yi Hu xing-yu gao Li Chen Hai-Feng Song Jing Feng Faculty of Materials Science and Engineering Kunming University of Science and TechnologyKunming650093China yunnan Precious Metals Laboratory Co.LTD Kunming650106China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing100088China

Pt-Ir alloy is potential superalloys used above 1300℃because of their high strength and creep ***,the ductility of Pt-Ir alloy has rapidly deteriorated with the increase of Ir,resulting in poor *** work quantitatively evaluated the solid solution strengthening(SSS)and grain refinement strengthening(GRS)of Pt-Ir alloy using first-principles calculations combined with experimental ***,the stretching force constants in the second nearest neighbor region(SFC^(2nd))of pure Ir(193.7 eV·nm^(-2))are 3.40 times that of pure Pt(57.0 eV·nm^(-2)),i.e.,the interatomic interaction is greatly enhanced with the increase of Ir content,which leads to the decrease of ductility,and modulus misfit plays a dominant role in ***,the physical mechanisms responsible for the hardness(H_(V))of Pt-Ir alloy,using the power-law-scaled function of electron work function coupled SSS and GRS,are attributed to the electron redistribution caused by different Ir ***,a thorough assessment of the thermodynamic characteristics of Pt-Ir binary alloy was conducted,culminating in development of a mapping model that effectively relates enmposition,temperature and *** results revealed that the compressive strength incrcases with the Ir content,and the highest strength was observed in Pt_(0.25)Ir_(0.75).This study provides valuable insights into the Pt-Ir alloy system.

关键词： Elastic properties Phonon Solid solution strengthen Force constants CALPHAD

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Time-resolved ultra-small-angle X-ray scattering beamline(BL10U1)at SSRF

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Nuclear Science and Techniques 2024年第2期35卷 6-19页

作者： Wen-Qiang Hua Chun-Ming Yang Ping Zhou Feng Tian Jin-You Lin yu-Zhu Wang Xiao-yun Li Xia-Ran Miao Chun-Xia Hong Qiu-Shi Huang Xin-Tong Zhao Yong-Feng Men Jie Wang xing-yu gao Xiu-Hong Li Shanghai Synchrotron Radiation Facility Shanghai Advanced Research InstituteChinese Academy of SciencesShanghai 201204China Key Laboratory of Advanced Micro Structural Materials MOEInstitute of Precision Optical EngineeringSchool of Physics Science and EngineeringTongji UniversityShanghai 200092China State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China

The construction of a new beamline,BL10U1,was completed at the Shanghai synchrotron radiation facility in *** multipurpose beamline was designed to provide X-ray scattering techniques such as ultra-small-angle X-ray scattering(USAXS),small-angle X-ray scattering(SAXS),wide-angle X-ray scattering,and microfocus SAXS(μSAXS)for a broad user *** realize fast time-resolved USAXS experiments,the beamline adopted an in-vacuum undulator with a total length of 1.6 m as the photon *** in-house cryogenic-cooled double multilayer monochromator was installed to deliver a photon flux of approximately 10^(13) photons/s at a photon energy of 10 *** three-year successful operation of this beamline demonstrated that the monochromator operated smoothly,as ***10U1 has three end stations in succession:USAXS end station,μSAXS end station,and end station for industrial *** minimum scattering vector q~0.0042 nm^(-1) at 10 keV can be achieved at the USAXS end station equipped with a 28 m-long and 1.8 m-diameter vacuum flight *** theμSAXS end station,a beam spot of less than 10×8μm was achieved for micro-SAXS *** contrast,in situ experimental instruments up to 5 m high and 8 m wide can be mounted at the industrial application end station,which offers industrial scientists the opportunity to use their large industrial ***10U1 opens up a new capability to investigate phenomena such as non-equilibrium and dynamic processes of materials with a wide length scale from angstroms to micrometers with millisecond time *** this paper,we also report beamline design considerations and commissioning results.

关键词： Synchrotron radiation Ultra-small-angle X-ray scattering Micro small-angle X-ray scattering USAXS Time resolved μSAXS

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Magnetic-biased chiral molecules enabling highly oriented photovoltaic perovskites

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National Science Review 2024年第2期11卷 221-230页

作者： Jing Chen Caner Deger Zhen-Huang Su Kai-Li Wang Guang-Peng Zhu Jun-Jie Wu Bing-Chen He Chun-Hao Chen Tao Wang xing-yu gao Ilhan Yavuz Yan-Hui Lou Zhao-Kui Wang Liang-Sheng Liao Institute of Functional Nano&Soft Materials(FUNSOM) Laboratory of Advanced Negative Carbon TechnologiesSoochow University Department of Physics Marmara University Shanghai Synchrotron Radiation Facility(SSRF) Shanghai Advanced Research InstituteChinese Academy of Sciences College of Energy Soochow Institute for Energy and Materials Innovations Soochow University Macao Institute of Materials Science and Engineering Macau University of Science and Technology

The interaction between sites A, B and X with passivation molecules is restricted when the conventional passivation strategy is applied in perovskite（ABX3） photovoltaics. Fortunately, the revolving A-site presents an opportunity to strengthen this interaction by utilizing an external field. Herein, we propose a novel approach to achieving an ordered magnetic dipole moment, which is regulated by a magnetic field via the coupling effect between the chiral passivation molecule and the A-site（formamidine ion） in *** strategy can increase the molecular interaction energy by approximately four times and ensure a well-ordered molecular arrangement. The quality of the deposited perovskite film is significantly optimized with inhibited nonradiative recombination. It manages to reduce the open-circuit voltage loss of photovoltaic devices to 360 mV and increase the power conversion efficiency to 25.22%. This finding provides a new insight into the exploration of A-sites in perovskites and offers a novel route to improving the device performance of perovskite photovoltaics.

关键词： perovskite photovoltaics magnetic moment A-site regulation chiral molecules

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π-π堆叠构建钙钛矿光伏高效电荷通道

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Science Bulletin 2024年第1期69卷 26-29页

作者：陈春浩胡凡王凯礼陈静滕天禹史怡然夏宇苏圳煌高兴宇 Ilhan Yavuz 王照奎廖良生 Institute of Functional Nano&Soft Materials(FUNSOM) Jiangsu Key Laboratory of Advanced Negative Carbon TechnologiesJiangsu Key Laboratory for Carbon-Based Functional Materials&DevicesSoochow UniversitySuzhou 215123China Shanghai Synchrotron Radiation Facility Shanghai Advanced Research InstituteShanghai Institute of Applied PhysicsChinese Academy of SciencesShanghai 201204China Department of Physics Marmara UniversityIstanbul 34722Turkey

Perovskite solar cells(PSCs)have emerged as strong potential candidates for future photovoltaic *** power conversion efficiency(PCE)of PSCs has already surpassed 26%,approaching their theoretical limit[1].The commonly used device structure for PSCs is ITO/SnO_(2)/perovskite/2,2',7,7'-tetrakis-(N,N-di-4-methox yphenylamino)-9,9'-spirobifluorene(spiro-OMeTAD)/Au[2].

关键词：钙钛矿 approaching perovskite

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The biosafety level-2 macromolecular crystallography beamline(BL10U2)at the Shanghai Synchrotron Radiation Facility

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Nuclear Science and Techniques 2023年第12期34卷 251-263页

作者： Qin Xu Hua‑Ting Kong Ke Liu Huan Zhou Kun‑Hao Zhang Wei‑Wei Wang Min‑Jun Li Qiang‑Yan Pan xing‑Ya Wang yu‑Zhu Wang Feng yu xing‑yu gao Qi‑Sheng Wang Shanghai Advanced Research Institute Chinese Academy of Sciences239 Zhangheng RoadPudong DistrictShanghai 201204China Shanghai Institute of Applied Physics Chinese Academy of Sciences2019 Jialuo RoadJiading DistrictShanghai 201800China University of Chinese Academy of Sciences Beijing 100049China

BL10U2 is an undulator-based macromolecular crystallography(MX)beamline located at the 3.5-GeV Shanghai Synchrotron Radiation ***10U2 is specifically designed for conducting routine and biosafety level-2(BSL-2)MX experiments utilizing high-flux tunable X-rays with energies from 7 to 18 keV,providing a beam spot size of 20μm(horizontal)×10μm(vertical)at the sample *** by the Shanghai Pudong Municipal Health Commission confirmed the capability to perform BSL-2 MX *** beamline is currently equipped with an Eiger X 16 M detector and two newly developed in-house high-precision diffractometers that can be switched to perform conventional or in situ crystal diffraction *** automatic sample changer developed in-house allows fast sample exchange in less than 30 s,supporting high-throughput MX experimentation and rapid crystal *** collection from both the diffractometer and detector was controlled by an in-house developed data collection software(Finback)with a user-friendly interface for convenient *** study presents a comprehensive overview of the facilities,experimental methods,and performance characteristics of the BL10U2 beamline.

关键词： Shanghai Synchrotron Radiation Facility BSL-2 MX beamline BL10U2

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Optimized parameters of downhole all-metal PDM based on genetic algorithm

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Petroleum Science 2024年第4期21卷 2663-2676页

作者： Jia-xing Lu Ling-Rong Kong yu Wang Chao Feng yu-Lin gao China University of Geosciences (Beijing) Key Laboratory on Deep Geo-Drilling Technology of Ministry of Natural Resources

Currently, deep drilling operates under extreme conditions of high temperature and high pressure,demanding more from subterranean power motors. The all-metal positive displacement motor, known for its robust performance, is a critical choice for such drilling. The dimensions of the PDM are crucial for its performance output. To enhance this, optimization of the motor's profile using a genetic algorithm has been undertaken. The design process begins with the computation of the initial stator and rotor curves based on the equations for a screw cycloid. These curves are then refined using the least squares method for a precise fit. Following this, the PDM's mathematical model is optimized, and motor friction is assessed. The genetic algorithm process involves encoding variations and managing crossovers to optimize objective functions, including the isometric radius coefficient, eccentricity distance parameter,overflow area, and maximum slip speed. This optimization yields the ideal profile parameters that enhance the motor's output. Comparative analyses of the initial and optimized output characteristics were conducted, focusing on the effects of the isometric radius coefficient and overflow area on the motor's performance. Results indicate that the optimized motor's overflow area increased by 6.9%, while its rotational speed reduced by 6.58%. The torque, as tested by Infocus, saw substantial improvements of38.8%. This optimization provides a theoretical foundation for improving the output characteristics of allmetal PDMs and supports the ongoing development and research of PDM technology.

关键词： Positive displacement motor Genetic algorithm Profile optimization Matlab programming Overflow area

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Strain-enhanced polarization sensitivity inβ-Ga_(2)O_(3)photodetector

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Science China(Physics,Mechanics & Astronomy) 2024年第4期67卷 126-137页

作者： Yonghui Zhang Huili Liang Fei xing Qiqian gao yu Feng yuping Sun Zengxia Mei School of Physics and Optoelectronic Engineering Shandong University of TechnologyZibo 255000China Songshan Lake Materials Laboratory Dongguan 523808China Institute of Physics Chinese Academy of SciencesBeijing 100190China

Polarization-sensitive photodetection and imaging have great application value in fields such as polarization division multiplexing optical communication,remote sensing,near-field imaging and military *** a high polarization ratio has always been the research hotspot in polarization-sensitive *** this paper,we report a compression strain enhanced polarization ratio inβ-gallium oxide(β-Ga_(2)O_(3))single crystal flake.A rigorous crystallographic analysis confirmed its high crystalline quality and ***-resolved polarization Raman spectroscopy(ARPRS)was adopted to study the anisotropy of its optical *** ARPRS measurements and theoretical calculation consistently demonstrate the strong optical anisotropy in the high-qualityβ-Ga_(2)O_(3)flake.A polarization ratio of 0.96 was obtained in the flatβ-Ga_(2)O_(3)***,mechanical strain of±0.7%was introduced intoβ-Ga_(2)O_(3).An increased polarization ratio of 0.98 was achieved in the case of 0.7%compression strain,which is,to the best of our knowledge,the highest value for UVC polarization-sensitive *** corresponds to an improved polarization rejection ratio of *** work proposed a new path towards improving polarization sensitivity by applying strain engineering in the active material.

关键词： gallium oxide polarization photodetector anisotropy strain

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Numerical simulation study on the hygrothermal performance of building exterior walls under dynamic wind-driven rain condition

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Building Simulation 2024年第2期17卷 207-221页

作者： xing Hu Huibo Zhang Hui yu School of Design Shanghai Jiao Tong UniversityShanghai200240China

Wind-driven rain(WDR)has a significant influence on the hygrothermal performance,durability,and energy consumption of building *** calculation of WDR loads using semi-empirical models has been incorporated into the boundary conditions of coupled heat and moisture transfer ***,prior research often relied on fixed WDR absorption ratio,which fail to accurately capture the water absorption characteristics of porous building materials under rainfall ***,this study aims to investigate the coupled heat and moisture transfer of exterior walls under dynamic WDR boundary conditions,utilizing an empirically obtained WDR absorption ratio model based on field *** developed coupled heat and moisture transfer model is validated against the HAMSTAD *** findings reveal that the total WDR flux calculated with the dynamic WDR boundary is lower than that obtained with the fixed WDR boundary,with greater disparities observed in orientations experiencing higher WDR *** variations in moisture flow significantly impact the surface temperature and relative humidity of the walls,influencing the calculation of cooling and heating loads by different *** to the transient heat transfer model,the coupled heat and moisture transfer model incorporating dynamic WDR boundary exhibits maximum increases of 17.6%and 16.2%in cooling and heating loads,*** dynamic WDR boundary conditions provide more precise numerical values for surface moisture flux,offering valuable insights for the thermal design of building enclosures and load calculations for HVAC systems.

关键词： wind-driven rain building component hygrothermal model transient simulation cooling and heating loads

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