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High-precision X-ray polarimeter based on channel-cut crystals
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作者 Shang-Yu Si Zhong-Liang Li +8 位作者 Wen-Hong Jia Lian Xue Hong-Xin Luo Jian-Cai Xu Bai-Fei Shen Lin-Gang Zhang Liang-Liang Ji Yu-Xin Leng Ren-Zhong Tai 《Nuclear Science and Techniques》 SCIE EI CAS CSCD 2024年第3期30-39,共10页
We report on using synthetic silicon for a high-precision X-ray polarimeter comprising a polarizer and an analyzer,each based on a monolithic channel-cut crystal used at multiple Brewster reflections with a Bragg angl... We report on using synthetic silicon for a high-precision X-ray polarimeter comprising a polarizer and an analyzer,each based on a monolithic channel-cut crystal used at multiple Brewster reflections with a Bragg angle very close to 45°.Experiments were performed at the BL09B bending magnet beamline of the Shanghai Synchrotron Radiation Facility using a Si(800)crystal at an X-ray energy of 12.914 keV.A polarization purity of 8.4×10^(-9)was measured.This result is encouraging,as the measured polarization purity is the best-reported value for the bending magnet source.Notably,this is the firstly systematic study on the hard X-ray polarimeter in China,which is crucial for exploring new physics,such as verifying vacuum birefringence. 展开更多
关键词 x-ray polarimeter Vacuum birefringence Synchrotron radiation Channel-cut crystal
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Anisotropy of Trabecular Bone from Ultra-Distal Radius Digital X-Ray Imaging: Effects on Bone Mineral Density and Age
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作者 Jian-Feng Chen 《Open Journal of Radiology》 2024年第1期14-23,共10页
Background: When applied to trabecular bone X-ray images, the anisotropic properties of trabeculae located at ultra-distal radius were investigated by using the trabecular bone scores (TBS) calculated along directions... Background: When applied to trabecular bone X-ray images, the anisotropic properties of trabeculae located at ultra-distal radius were investigated by using the trabecular bone scores (TBS) calculated along directions parallel and perpendicular to the forearm. Methodology: Data from more than two hundred subjects were studied retrospectively. A DXA (GE Lunar Prodigy) scan of the forearm was performed on each subject to measure the bone mineral density (BMD) value at the location of ultra-distal radius, and an X-ray digital image of the same forearm was taken on the same day. The values of trabecular bone score along the direction perpendicular to the forearm, TBS<sub>x</sub>, and along the direction parallel to the forearm, TBS<sub>y</sub>, were calculated respectively. The statistics of TBS<sub>x</sub> and TBS<sub>y</sub> were calculated, and the anisotropy of the trabecular bone, which was defined as the ratio of TBS<sub>y</sub> to TBS<sub>x</sub> and changed with subjects’ BMD and age, was reported and analyzed. Results: The results show that the correlation coefficient between TBS<sub>x</sub> and TBS<sub>y</sub> was 0.72 (p BMD and age was reported. The results showed that decreased trabecular bone anisotropy was associated with deceased BMD and increased age in the subject group. Conclusions: This study shows that decreased trabecular bone anisotropy was associated with decreased BMD and increased age. 展开更多
关键词 ANISOTROPY Trabecular Bone Score Bone Mineral density Ultra-Distal Radius Digital x-ray Image
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High-resolution x-ray monochromatic imaging for laser plasma diagnostics based on toroidal crystal 被引量:2
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作者 司昊轩 董佳钦 +3 位作者 方智恒 蒋励 伊圣振 王占山 《Plasma Science and Technology》 SCIE EI CAS CSCD 2023年第1期181-186,共6页
Monochromatic x-ray imaging is an essential method for plasma diagnostics related to density information.Large-field high-resolution monochromatic imaging of a He-like iron(Fe XXV)Kαcharacteristic line(6.701 keV)for ... Monochromatic x-ray imaging is an essential method for plasma diagnostics related to density information.Large-field high-resolution monochromatic imaging of a He-like iron(Fe XXV)Kαcharacteristic line(6.701 keV)for laser plasma diagnostics was achieved using a developed toroidal crystal x-ray imager.A high-index crystal orientation Ge(531)wafer with a Bragg angle of 75.37°and the toroidal substrate were selected to obtain sufficient diffraction efficiency and compensate for astigmatism under oblique incidence.A precise offline assembly method of the toroidal crystal imager based on energy substitution was proposed,and a spatial resolution of 3-7μm was obtained by toroidal crystal imaging of a 600 line-pairs/inch Au grid within an object field of view larger than 1.0 mm.The toroidal crystal x-ray imager has been successfully tested via side-on backlight imaging experiments of the sinusoidal modulation target and a 1000 line-pairs/inch Au grid with a linewidth of 5μm using an online alignment method based on dual positioning balls to indicate the target and backlighter.This paper describes the optical design,adjustment method,and experimental results of a toroidal crystal system in a laboratory and laser facility. 展开更多
关键词 laser plasma diagnostics toroidal crystal monochromatic x-ray imaging
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Centimeter-sized Cs_(3)Cu_(2)I_(5)single crystals grown by oleic acid assisted inverse temperature crystallization strategy and their films for high-quality X-ray imaging 被引量:1
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作者 Tao Chen Xin Li +9 位作者 Yong Wang Feng Lin Ruliang Liu Wenhua Zhang Jie Yang Rongfei Wang Xiaoming Wen Bin Meng Xuhui Xu Chong Wang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第4期382-389,共8页
Low-dimensional halide perovskites have become the most promising candidates for X-ray imaging,yet the issues of the poor chemical stability of hybrid halide perovskite,the high poisonousness of lead halides and the r... Low-dimensional halide perovskites have become the most promising candidates for X-ray imaging,yet the issues of the poor chemical stability of hybrid halide perovskite,the high poisonousness of lead halides and the relatively low detectivity of the lead-free halide perovskites which seriously restrain its commercialization.Here,we developed a solution inverse temperature crystal growth(ITCG)method to bring-up high quality Cs_(3)Cu_(2)I_(5)crystals with large size of centimeter order,in which the oleic acid(OA)is introduced as an antioxidative ligand to inhibit the oxidation of cuprous ions effieiently,as well as to decelerate the crystallization rate remarkalby.Based on these fine crystals,the vapor deposition technique is empolyed to prepare high quality Cs_(3)Cu_(2)I_(5)films for efficient X-ray imaging.Smooth surface morphology,high light yields and short decay time endow the Cs_(3)Cu_(2)I_(5)films with strong radioluminescence,high resolution(12 lp/mm),low detection limits(53 nGyair/s)and desirable stability.Subsequently,the Cs_(3)Cu_(2)I_(5)films have been applied to the practical radiography which exhibit superior X-ray imaging performance.Our work provides a paradigm to fabricate nonpoisonous and chemically stable inorganic halide perovskite for X-ray imaging. 展开更多
关键词 Inverse temperature crystal growth Cs_(3)Cu_(2)I_(5)single crystal Vapor deposition Cs_(3)Cu_(2)I_(5)films x-ray imaging
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Inversion techniques to obtain local rotation velocity and ion temperature profiles for the x-ray crystal spectrometer on EAST
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作者 林子超 张洪明 +7 位作者 王福地 Cheonho BAE 符佳 金仡飞 卢迪安 傅盛宇 李建康 吕波 《Plasma Science and Technology》 SCIE EI CAS CSCD 2023年第9期26-33,共8页
Inversion techniques are conducted based on the tangential x-ray crystal spectroscopy(TXCS)geometry on EAST to obtain the local profiles of ion temperature(Ti)and toroidal rotation velocity(vt).Firstly,local emissivit... Inversion techniques are conducted based on the tangential x-ray crystal spectroscopy(TXCS)geometry on EAST to obtain the local profiles of ion temperature(Ti)and toroidal rotation velocity(vt).Firstly,local emissivity profiles of the impurity argon are obtained using the asymmetrical Abel inversion.Then,the local vt and Ti profiles are calculated by considering the local emissivity profiles and the TXCS detailed geometry.In addition,how the changes in the vt profiles affect the accuracy in the Ti profiles is discussed in detail.It is also found that the lineintegrated Ti profiles are becoming less accurate with the increase in the radial gradient in the local vt profiles.Nonetheless,accurate Ti radial profiles are reconstructed after considering the effects of the emissivity and velocity,which are verified by comparing the inverted vt and Ti profiles with those local profile measurements from the Charge eXchange Recombination Spectroscopy(CXRS)on EAST. 展开更多
关键词 plasma toroidal rotation ion temperature x-ray crystal spectroscopy Abel inversion
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Design and calibration of an elliptical crystal spectrometer for the diagnosis of proton-induced x-ray emission(PIXE)
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作者 方言律 李东彧 +9 位作者 程浩 高原 申泽清 杨童 李昱泽 夏亚东 晏炀 颜莎 林晨 颜学庆 《Chinese Physics B》 SCIE EI CAS CSCD 2023年第11期220-225,共6页
Laser-driven proton-induced x-ray emission(laser-PIXE) is a nuclear analysis method based on the compact laser ion accelerator. Due to the transient process of ion acceleration, the laser-PIXE signals are usually spur... Laser-driven proton-induced x-ray emission(laser-PIXE) is a nuclear analysis method based on the compact laser ion accelerator. Due to the transient process of ion acceleration, the laser-PIXE signals are usually spurted within nanoseconds and accompanied by strong electromagnetic pulses(EMP), so traditional multi-channel detectors are no longer applicable.In this work, we designed a reflective elliptical crystal spectrometer for the diagnosis of laser-PIXE. The device can detect the energy range of 1 keV–11 ke V with a high resolution. A calibration experiment was completed on the electrostatic accelerator of Peking University using samples of Al, Ti, Cu, and ceramic artifacts. The detection efficiency of the elliptical crystal spectrometer was obtained in the order of 10-9. 展开更多
关键词 elliptical crystal spectrometer proton-induced x-ray emission applications of laser ion accelera-tion
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High-precision X-ray characterization for basic materials in modern high-end integrated circuit
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作者 Weiran Zhao Qiuqi Mo +3 位作者 Li Zheng Zhongliang Li Xiaowei Zhang Yuehui Yu 《Journal of Semiconductors》 EI CAS CSCD 2024年第7期12-24,共13页
Semiconductor materials exemplify humanity's unwavering pursuit of enhanced performance,efficiency,and functionality in electronic devices.From its early iterations to the advanced variants of today,this field has... Semiconductor materials exemplify humanity's unwavering pursuit of enhanced performance,efficiency,and functionality in electronic devices.From its early iterations to the advanced variants of today,this field has undergone an extraordinary evolution.As the reliability requirements of integrated circuits continue to increase,the industry is placing greater emphasis on the crystal qualities.Consequently,conducting a range of characterization tests on the crystals has become necessary.This paper will examine the correlation between crystal quality,device performance,and production yield,emphasizing the significance of crystal characterization tests and the important role of high-precision synchrotron radiation X-ray topography characterization in semiconductor analysis.Finally,we will cover the specific applications of synchrotron radiation characterization in the development of semiconductor materials. 展开更多
关键词 x-ray topography synchrotron radiation semiconductor materials crystal defects
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Computational Investigation on the Surface Electronic Density, Morphology and Detonation Property of 1,1-Diamino-2,2-dinitroethylene (FOX-7) Crystal 被引量:3
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作者 边亮 舒远杰 李华荣 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2012年第12期1736-1744,共9页
The present study constructed and optimized FOX-7 crystal using a novel technique including grand canonical monte carlo (GCMC), density functional theory (DFT) and molecular dynamics (MD) methods. Therein, the c... The present study constructed and optimized FOX-7 crystal using a novel technique including grand canonical monte carlo (GCMC), density functional theory (DFT) and molecular dynamics (MD) methods. Therein, the crystal density, atomic and electronic actions were considered. The results showed that the 1.96 g.cm-3 FOX-7 crystal has the highest stability and detonation properties, such as the total crystal energy, surface electronic density, friction sensitivity, detonation pressure, and so on. These results are close to the experimental data. 展开更多
关键词 DADE crystal density DFT MORPHOLOGY
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Crystal Structure and Density Functional Theory Studies of (p-Methoxyphenyl) Thiosemicarbazide 被引量:3
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作者 建方方 赵朴素 侯玉霞 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2004年第11期1256-1261,共6页
The title compound [CH3OC6H4NHNHCSNH2] has been characterized by ele- mental analysis, IR, electronic absorption spectra and X-ray single-crystal diffraction. It crystallizes in the monoclinic system, space group C2... The title compound [CH3OC6H4NHNHCSNH2] has been characterized by ele- mental analysis, IR, electronic absorption spectra and X-ray single-crystal diffraction. It crystallizes in the monoclinic system, space group C2/c with a = 25.071(5), b = 5.9292(12), c = 14.938(3) ?, β = 118.40(3)o, Mr = 197.26 (C8H11N3OS), V = 1953.3(7) ?3, Z = 8, Dc = 1.342 g/cm3, F(000) = 832, μ = 0.296 mm-1, R = 0.0647 and wR = 0.1433. In the crystal lattice, there exist some intermolecular hydrogen bonds, π-π stacking interactions and C–H…π supramolecular interactions to stabilize the crystal structure. The density functional theory (DFT) calculations at the B3LYP/6-31G* level, charge distributions and thermodynamic properties at different temperature have been performed, showing the sulfur and nitrogen atoms have bigger negative charges because they are the potential sites reacting with the metallic ions. 展开更多
关键词 crystal structure density functional theory thermodynamic property
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High sensitive piezoelectric quartz crystal liquid density sensor 被引量:2
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作者 Xue Cai Zhao Jun Guo Du +2 位作者 Rui Sheng Qi Kang Da Zhong Shen 《Chinese Chemical Letters》 SCIE CAS CSCD 2010年第9期1129-1132,共4页
We report for the first time a cleavage phenomenon in the resonant peak of a piezoelectric quartz crystal(PQC) in liquid phase.In the presence of a strong longitudinal wave effect,an additional resonant peak appears i... We report for the first time a cleavage phenomenon in the resonant peak of a piezoelectric quartz crystal(PQC) in liquid phase.In the presence of a strong longitudinal wave effect,an additional resonant peak appears in the conductance-frequency curve.With gradually increasing liquid density,the additional peak moves from low to high frequency region then disappears.The frequency of the additional resonant peak is sensitive to the change in liquid density.The frequency shift of the additional peak is linear with the liquid density in a given range.For a 5 MHz PQC with a reflection distance of 16 mm for longitudinal wave,the sensitivity to liquid density is 2.61×10^6 Hz g^-1 cm^3.The overlap between the primary resonant peak and the additional resonant peak causes a decrease in the intensity of the former and an increase in the intensity of the latter.In a combined impedance analysis method,the changes in surface mass loading,density and viscosity of the liquid were monitored simultaneously by a PQC sensor. 展开更多
关键词 Piezoelectric quartz crystal density sensor Longitudinal wave Impedance analysis
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Synthesis and X-ray Crystal Structure of a New Molecular Clip 被引量:4
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作者 佘能芳 高蒙 +1 位作者 王帅 吴安心 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2008年第7期777-780,共4页
The synthesis and X-ray crystal structure of a new molecular clip 2 was reported. It (C24H24N4O2, Mr = 400.47) crystallizes in the space group C2/c with a = 15.587(2), b = 8.5805(12), c = 15.259(2) A, β = 102... The synthesis and X-ray crystal structure of a new molecular clip 2 was reported. It (C24H24N4O2, Mr = 400.47) crystallizes in the space group C2/c with a = 15.587(2), b = 8.5805(12), c = 15.259(2) A, β = 102.448(3)°, V= 1992.9 (5)A63, Z = 4, Dc = 1.335 g/cm63,μ = 0.087 mm^-1 and F(000) = 848. It remains monomeric in the crystal and a tape-like structure is formed in the crystal structure of molecular clip. The most unusual structural feature of 2 is the boat conformation of its cyclohexyl ring imposed by the ring fusion at C(9)-C(9a). 展开更多
关键词 molecular clip x-ray crystal structure boat conformation
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Electroplating of Ni/Co–pumice multilayer nanocomposite coatings: Effect of current density on crystal texture transformations and corrosion behavior 被引量:1
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作者 Mehdi Boroujerdnia Hamid Ghayour +2 位作者 Ahmad Monshi Reza Ebrahimi-Kahrizsangi Farid Jamali-Sheini 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2019年第10期1299-1310,共12页
The present paper aims to investigate the influence of the current density in the electroplating process on the microstructure, crystal texture transformations, and corrosion behavior of Ni/Co pumice multilayer nanoco... The present paper aims to investigate the influence of the current density in the electroplating process on the microstructure, crystal texture transformations, and corrosion behavior of Ni/Co pumice multilayer nanocomposite coatings. The Ni/Co pumice composite coatings were prepared by deposition of Ni, followed by the simultaneous deposition of pumice nanoparticles (NPs) in a Co matrix via an electroplating process at various current densities. Afterward, the morphology, size, topography, and crystal texture of the obtained samples were investigated. Furthermore, electrochemical methods were used to investigate the corrosion behavior of the produced coatings in a solution of 3.5wt% NaCl. The results indicated that increasing the plating current density changed the mechanism of coating growth from the cell state to the column state, in- creased the coating thickness, roughness, and texture coefficient (TC) of the Co (203) plane, and reduced the amount of pumice NPs incorporated into the Ni/Co pumice composite. The electrochemical results also indicated that increasing the current density enhanced the corrosion resistance of the Ni/Co pumice composite. 展开更多
关键词 ELECTROPLATING current density Ni/Co PUMICE corrosion resistance crystal TEXTURE of coating
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Characteristics of local photonic state density in an infinite two-dimensional photonic crystal 被引量:1
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作者 周云松 王雪华 +1 位作者 顾本源 王福合 《Chinese Physics B》 SCIE EI CAS CSCD 2005年第11期2241-2245,共5页
The local density of photonic states (LDPS) of an infinite two-dimensional (2D) photonic crystal (PC) composed of rotated square-pillars in a 2D square lattice is calculated in terms of the plane-wave expansion ... The local density of photonic states (LDPS) of an infinite two-dimensional (2D) photonic crystal (PC) composed of rotated square-pillars in a 2D square lattice is calculated in terms of the plane-wave expansion method in a combination with the point group theory. The calculation results show that the LDPS strongly depends on the spatial positions. The variations of the LDPS as functions of the radial coordinate and frequency exhibit “mountain chain” structures with sharp peaks. The LDPS with large value spans a finite area and falls abruptly down to small value at the position corresponding to the interfaces between two different refractive index materials. The larger/lower LDPS occurs inward the lower/larger dielectric-constant medium. This feature can be well interpreted by the continuity of electricdisplacement vector at the interface. In the frequency range of the pseudo-PBG (photonic band gap), the LDPS keeps very low value over the whole Wiger-Seitz cell. It indicates that the spontaneous emission in 2D PCs cannot be prohibited completely, but it can be inhibited intensively when the resonate frequency falls into the pseudo-PBG. 展开更多
关键词 local density of photonic states two-dimensional photonic crystal spontaneous emission
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X-ray Multiple Diffraction Topographic Imaging Technique For Growth History Study of Habit Modifying Impurity Doped Crystals 被引量:1
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作者 LAI X. MA C. +1 位作者 K. J. Robert M. C. Miller 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2004年第4期411-416,共6页
A novel crystal characterization instrument has been built up in which a combination of X-ray multiple diffraction and X-ray topography is applied to enabling the cross-correlation between micro-crystallographic symme... A novel crystal characterization instrument has been built up in which a combination of X-ray multiple diffraction and X-ray topography is applied to enabling the cross-correlation between micro-crystallographic symmetry and its spatial dependence in relation to lattice defects. This facility is used to examine, in a self-consistent manner, growth sector-dependant changes to both the crystallographic structure and the lattice defects associated with the action of habit-modifying additives in a number of representative crystal growth systems. In addition, the new instrument can be used to probe micro-crystallographic aspects(such as distortion to crystal symmetry) and relate these in a spatially resolved manner to the crystal defect structure in crystals doped with known habit modifiers. 展开更多
关键词 x-ray diffraction x-ray multiple diffraction x-ray topography Habit modification crystal growth Growth defects
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CRYSTAL STRUCTURE AND X-RAY POWDER DIFFRACTION DATA FOR RE COMPOUND HoNiSb 被引量:1
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作者 Zeng, Lingmin Li, Jungqin +2 位作者 Zhang, Liping Zhuang, Yinghong Hao, Jianmin (Institute of Materials Science, Guangxi University, Nanning 530004)(Tianjin Electronic Materzals Research Institute) 《中国有色金属学会会刊:英文版》 EI CSCD 1995年第3期71-73,共3页
CRYSTALSTRUCTUREANDX-RAYPOWDERDIFFRACTIONDATAFORRECOMPOUNDHoNiSb¥Zeng,Lingmin;Li,Jungqin;Zhang,Liping;Zhuang... CRYSTALSTRUCTUREANDX-RAYPOWDERDIFFRACTIONDATAFORRECOMPOUNDHoNiSb¥Zeng,Lingmin;Li,Jungqin;Zhang,Liping;Zhuang,Yinghong;Hao,Jia... 展开更多
关键词 RE COMPOUND HoNiSb x-ray DIFFRACTION data crystal structure
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Test of a High Throughput Detector on the X-ray Crystal Spectrometer of the EAST 被引量:1
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作者 吕波 石跃江 +9 位作者 王福地 万宝年 Manfred BITTER Kenneth W. HILL Sang-gon LEE 李颖颖 符佳 张继宗 徐经翠 沈永才 《Plasma Science and Technology》 SCIE EI CAS CSCD 2013年第2期97-100,共4页
An attempt was made to improve the spatio-temporal resolution of the tangen- tial X-ray crystal spectrometer (XCS) on the Experimental Advanced Superconducting Tokamak (EAST) by evaluating experimentally the appli... An attempt was made to improve the spatio-temporal resolution of the tangen- tial X-ray crystal spectrometer (XCS) on the Experimental Advanced Superconducting Tokamak (EAST) by evaluating experimentally the applicability of a novel X-ray photon detection tech- nology for measuring the satellite spectra of Ar XVII with a high counting rate. High-resolution experimental data on the profiles of ion temperature and plasma rotation velocity facilitate the studies of the mechanisms underlining important physical phenomena, such as plasma heating, L-H transition and momentum transport. Based on silicon diode array and single-photon counting technology, a relatively small area (83.8 x 33.5 mm~) two-dimensional detector was successfully in- stalled and tested in the recent EAST campaign. X-ray photon counting rate higher than 20 MHz was observed for the first time, and high quality satellite spectra were recorded for ion temperature and plasma rotation measurement, indicating that the new technology is suitable for the next-step high-resolution XCS on EAST, and the deployment of a detector array with a much larger X-ray sensing area is planned for better plasma coverage. 展开更多
关键词 x-ray crystal spectrometer high resolution ion temperature plasma rotation
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X-ray and DFT Crystal Structure Determination and Conformational Analysis of a Pyrethroid Compound 被引量:1
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作者 YAHIAOUI Salem CHOUAIH Abdelkader HAMZAOUI Fodil 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2013年第10期1544-1552,共9页
The structure of (E)-N-[(E)-3-[(lR,2R)-2-(3,4-dibromo-phenyl)-l-fluro-cyclopropyl]- allylidene]-2-0-tolyl-acetamide (C21HIsONFBrz, Mr = 479.18) has been determined by X-ray single- crystal diffraction and th... The structure of (E)-N-[(E)-3-[(lR,2R)-2-(3,4-dibromo-phenyl)-l-fluro-cyclopropyl]- allylidene]-2-0-tolyl-acetamide (C21HIsONFBrz, Mr = 479.18) has been determined by X-ray single- crystal diffraction and theoretical calculations to establish the configuration, stereochemistry and a stable conformation of the molecule. The compound crystallizes in the monoclinic space group P21/c, a = 28.3452(10), b = 4.9311(10), c = 14.257(2) A, fl = 102.7654(10), V = 1943.5(5) A3 and Z = 4. The structure has been refined to the final R = 0.05 for the observed structure factors with 1 〉 30(/). Theoretical calculations in the ground state have been carried out for the compound studied using the Hartree-Fock (HF) and density functional theory (DFT) (B3LYP) with 6-31G(d,p) basis sets. The results show that the studied compound prefers the keto form. The compound involves intra- and intermolecular hydrogen bonding of C-H.-.O and C-H-..F types, which further stabilize the structure and display a trans configuration for the C=N and C=C double bonds. The calculated results show that the predicted geometry can well reproduce the structural parameters. 展开更多
关键词 x-ray diffraction crystal structure INSECTICIDE
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Determination of electrostatic parameters of a coumarin derivative compound C_(17)H_(13)NO_3 by x-ray and density functional theory 被引量:1
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作者 Youcef Megrouss Nadia Benhalima +3 位作者 Rawia Bahoussi Nouredine Boukabcha Abdelkader Chouaih Fodil Hamzaoui 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第10期359-365,共7页
This work is devoted to the experimental determination of the electrostatic properties of the molecular 4-methyl-7-(salicylidene amino) coumarin(C17H13NC3) using high resolution x-ray diffraction data. The experim... This work is devoted to the experimental determination of the electrostatic properties of the molecular 4-methyl-7-(salicylidene amino) coumarin(C17H13NC3) using high resolution x-ray diffraction data. The experimental results are compared with those obtained theoretically from calculation type ab initio. The experimental investigation is carried out using the molecular electron charge density distribution based on the multipolar model of Hansen and Coppens. However the theoretical calculations are conducted by using the molecular orbital B3 LYP method and the Hartree-Fock(HF) approximation with the basis set 6-31G(d,p) implemented in the Gaussian program. In addition to the structural analysis,the thermal agitation is also analyzed in terms of rigid blocks to ensure a better precision of the results. Subsequently, the electrostatic atomic and molecular properties such as the net charges, the molecular dipolar moment to highlight the nature of charge transfer existing within the molecule studied are derived. Moreover, the obtained electrostatic potential enables the localization of the electropositive and the electronegative parts of the investigated molecule. The present work reports in detail the obtained electrostatic properties of this biologically important molecule. 展开更多
关键词 electron charge density electrostatic potential molecular dipole moment and x-ray diffraction
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Comparison between Double Crystals X-ray Diffraction and Micro-Raman Measurement on Composition Determination of High Ge Content Si_(1-x)Ge_(x) Layer Epitaxied on Si Substrate 被引量:1
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作者 Lei ZHAO Yuhua ZUO Buwen CHENG Jinzhong YU Qiming WANG 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2006年第5期651-654,共4页
It is important to acquire the composition of Si1-xGex layer, especially that with high Ge content, epitaxied on Si substrate. Two nondestructive examination methods, double crystals X-ray diffraction (DCXRD) and mi... It is important to acquire the composition of Si1-xGex layer, especially that with high Ge content, epitaxied on Si substrate. Two nondestructive examination methods, double crystals X-ray diffraction (DCXRD) and micro-Raman measurement, were introduced comparatively to determine x value in Si1-xGex layer, which show that while the two methods are consistent with each other when x is low, the results obtained from double crystals X-ray diffraction are not credible due to the large strain relaxation occurring in Si1-xGex layers when Ge content is higher than about 20%. Micro-Raman measurement is more appropriate for determining high Ge content than DCXRD. 展开更多
关键词 Si1-xGex Ge content Composition determination Double crystals x-ray diffraction (DCXRD) Micro-Raman measurement
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Mechanical, Thermal and Crystallization Properties of Polypropylene (PP) Reinforced Composites with High Density Polyethylene (HDPE) as Matrix 被引量:1
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作者 Harekrushna Sutar Prakash Chandra Sahoo +4 位作者 Prateekshya Suman Sahu Surajabala Sahoo Rabiranjan Murmu Sumit Swain Subash Chandra Mishra 《Materials Sciences and Applications》 2018年第5期502-515,共14页
Our work aims to evaluate a complete outlook of virgin high density polyethylene (HDPE) and polypropylene (PP) polyblends. Virgin PP of 20, 30 and 50 weight% is compounded with virgin HDPE. The properties like tensile... Our work aims to evaluate a complete outlook of virgin high density polyethylene (HDPE) and polypropylene (PP) polyblends. Virgin PP of 20, 30 and 50 weight% is compounded with virgin HDPE. The properties like tensile strength, flexural strength, Izod impact strength are examined. Scanning electron microscopy (SEM) and polarised light microscopy (PLM) are used to observe the surface and crystal morphology. X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) tests verify the non compatibility of both polymers. Differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) techniques are used to study the thermal behaviour of composites. The results manifest co-occurring spherulites for polyblends;indicating the composite to be a physical blend of continuous and dispersed phases, but on the other hand PP improves the tensile and flexural properties of HDPE. 展开更多
关键词 High density Poly Ethylene (HDPE) POLYPROPYLENE (PP) Polyblends MECHANICAL THERMAL crystalLIZATION Properties
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