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Microstructures and micromechanical behaviors of high -entropy alloys investigated by synchrotron X-ray and neutron diffraction techniques: A review 被引量:1
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作者 Yubo Huang Ning Xu +3 位作者 Huaile Lu Yang Ren Shilei Li Yandong Wang 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第6期1333-1349,共17页
High-entropy alloys(HEAs)possess outstanding features such as corrosion resistance,irradiation resistance,and good mechan-ical properties.A few HEAs have found applications in the fields of aerospace and defense.Exten... High-entropy alloys(HEAs)possess outstanding features such as corrosion resistance,irradiation resistance,and good mechan-ical properties.A few HEAs have found applications in the fields of aerospace and defense.Extensive studies on the deformation mech-anisms of HEAs can guide microstructure control and toughness design,which is vital for understanding and studying state-of-the-art structural materials.Synchrotron X-ray and neutron diffraction are necessary techniques for materials science research,especially for in situ coupling of physical/chemical fields and for resolving macro/microcrystallographic information on materials.Recently,several re-searchers have applied synchrotron X-ray and neutron diffraction methods to study the deformation mechanisms,phase transformations,stress behaviors,and in situ processes of HEAs,such as variable-temperature,high-pressure,and hydrogenation processes.In this review,the principles and development of synchrotron X-ray and neutron diffraction are presented,and their applications in the deformation mechanisms of HEAs are discussed.The factors that influence the deformation mechanisms of HEAs are also outlined.This review fo-cuses on the microstructures and micromechanical behaviors during tension/compression or creep/fatigue deformation and the application of synchrotron X-ray and neutron diffraction methods to the characterization of dislocations,stacking faults,twins,phases,and intergrain/interphase stress changes.Perspectives on future developments of synchrotron X-ray and neutron diffraction and on research directions on the deformation mechanisms of novel metals are discussed. 展开更多
关键词 high-entropy alloys MICROSTRUCTURES micromechanical behaviors synchrotron x-ray diffraction neutron diffraction
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Intensity correlation properties of x-ray beams split with Laue diffraction
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作者 赵昌哲 司尚禹 +3 位作者 张海鹏 薛莲 李中亮 肖体乔 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期379-383,共5页
Beam splitting is one of the main approaches to achieving x-ray ghost imaging, and the intensity correlation between diffraction beam and transmission beam will directly affect the imaging quality. In this paper, we i... Beam splitting is one of the main approaches to achieving x-ray ghost imaging, and the intensity correlation between diffraction beam and transmission beam will directly affect the imaging quality. In this paper, we investigate the intensity correlation between the split x-ray beams by Laue diffraction of stress-free crystal. The analysis based on the dynamical theory of x-ray diffraction indicates that the spatial resolution of diffraction image and transmission image are reduced due to the position shift of the exit beam. In the experimental setup, a stress-free crystal with a thickness of hundredmicrometers-level is used for beam splitting. The crystal is in a non-dispersive configuration equipped with a double-crystal monochromator to ensure that the dimension of the diffraction beam and transmission beam are consistent. A correlation coefficient of 0.92 is achieved experimentally and the high signal-to-noise ratio of the x-ray ghost imaging is anticipated.Results of this paper demonstrate that the developed beam splitter of Laue crystal has the potential in the efficient data acquisition of x-ray ghost imaging. 展开更多
关键词 x-ray ghost imaging beam splitting with Laue diffraction intensity correlation dynamical theory of x-ray diffraction
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Direct observation of shock-induced phase transformation in polycrystalline iron via in situ x-ray diffraction
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作者 Fan Zhang Jia-Qin Dong +11 位作者 Zhi-Yong Xie Zhi-Yu He Hua Shu Rui-Rong Wang Jun Xiong Guo Jia Zhi-Heng Fang Wei Wang Da-Wu Xiao An-Le Lei Jie Chen Xiu-Guang Huang 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第10期337-342,共6页
Phase transition of polycrystalline iron compressed along the Hugoniot is studied by combining laser-driven shock with in situ x-ray diffraction technique.It is suggested that polycrystalline iron changes from an init... Phase transition of polycrystalline iron compressed along the Hugoniot is studied by combining laser-driven shock with in situ x-ray diffraction technique.It is suggested that polycrystalline iron changes from an initial body-centered cubic structure to a hexagonal close-packed structure with increasing pressure(i.e.,a phase transition fromαtoε).The relationship between density and pressure for polycrystalline iron obtained from the present experiments is found to be in good agreement with the gas-gun Hugoniot data.Our results show that experiments with samples at lower temperatures under static loading,such as in a diamond anvil cell,lead to higher densities measured than those found under dynamic loading.This means that extrapolating results of static experiments may not predict the dynamic responses of materials accurately.In addition,neither the face-centered cubic structure seen in previous molecular-dynamics simulations or twophase coexistence are found within our experimental pressure range. 展开更多
关键词 in situ x-ray diffraction phase transition polycrystalline iron
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A Novel High Temperature Apparatus for in situ Synchrotron X-ray Diffraction Studies of Molten Salt
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作者 CAO Hui-li GAO Mei +5 位作者 Andebet G.Tamirat ZHAO Hong-bin ZHOU Xing-tai HUANG Yu-ying LEI Qi WEN Wen 《分析测试学报》 CAS CSCD 北大核心 2024年第10期1608-1617,共10页
This study demonstrates the design and application of a novel high temperature rotatory apparatus for insitu synchrotron X-ray diffraction studies of molten salts,facilitating investigation into the interaction betwee... This study demonstrates the design and application of a novel high temperature rotatory apparatus for insitu synchrotron X-ray diffraction studies of molten salts,facilitating investigation into the interaction between various structural materials and molten salts.The apparatus enables accurate detection of every phase change during hightemperature experiments,including strong reaction processes like corrosion.Molten salts,such as chlorides or fluo⁃rides,together with the structure materials,are inserted into either quartz or boron nitride capillaries,where X-ray diffraction pattern can be continuously collected,as the samples are heated to high temperature.The replacement re⁃action,when molten ZnCl2 are etching Ti3AlC2,can be clearly observed through changes in diffraction peak intensity as well as expansion in c-axis lattice parameter of the hexagonal matrix,due to the larger atomic number and ionic ra⁃dius of Zn2+.Furthermore,we investigated the high-temperature corrosion process when GH3535 alloy is in FLiNaK molten salt,and can help to optimize its stability for potential applications in molten salt reactor.Additionally,this high temperature apparatus is fully compatible with the combined usage of X-ray diffraction and Raman technique,providing both bulk and surface structural information.This high temperature apparatus has been open to users and is extensively used at BL14B1 beamline of the Shanghai Synchrotron Radiation Facility. 展开更多
关键词 in-situ x-ray diffraction rotary micro-diffractometer rotary high-temperature apparatus molten salt
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Tracking the phase transformation and microstructural evolution of Sn anode using operando synchrotron X-ray energy-dispersive diffraction and X-ray tomography 被引量:1
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作者 Kang Dong Fu Sun +4 位作者 Andre Hilger Paul H.Kamm Markus Osenberg Francisco Garcia-Moreno Ingo Manke 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2023年第1期429-437,I0011,共10页
Tin(Sn)holds great promise as an anode material for next-generation lithium(Li)ion batteries but suffers from massive volume change and poor cycling performance.To clarify the dynamic chemical and microstructural evol... Tin(Sn)holds great promise as an anode material for next-generation lithium(Li)ion batteries but suffers from massive volume change and poor cycling performance.To clarify the dynamic chemical and microstructural evolution of Sn anode during lithiation and delithiation,synchrotron X-ray energydispersive diffraction and X-ray tomography are simultaneously employed during Li/Sn cell operation.The intermediate Li-Sn alloy phases during de/lithiation are identified,and their dynamic phase transformation is unraveled which is further correlated with the volume variation of the Sn at particle-and electrode-level.Moreover,we find that the Sn particle expansion/shrinkage induced particle displacement is anisotropic:the displacement perpendicular to the electrode surface(z-axis)is more pronounced compared to the directions(x-and y-axis)along the electrode surface.This anisotropic particle displacement leads to an anisotropic volume variation at the electrode level and eventually generates a net electrode expansion towards the separator after cycling,which could be one of the root causes of mechanical detachment and delamination of electrodes during long-term operation.The unraveled chemical evolution of Li-Sn and deep insights into the microstructural evolution of Sn anode provided here could guide future design and engineering of Sn and other alloy anodes for high energy density Li-and Na-ion batteries. 展开更多
关键词 Sn anode Li-Sn phase transformation x-ray tomography Operando x-ray diffraction Anisotropic displacement Digital volume correlation(DVC)
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The Crystal Structure Study of CaSrFe0.75Co0.75Mn0.5O6−δ by Neutron Diffraction
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作者 Amara Martinson Mandy Guinn Ram Krishna Hona 《Journal of Materials Science and Chemical Engineering》 2024年第1期29-35,共7页
The crystal structure of CaSrFe<sub>0.75</sub>Co<sub>0.75</sub>Mn<sub>0.5</sub>O<sub>6−δ</sub> is investigated through neutron diffraction techniques in this study. The... The crystal structure of CaSrFe<sub>0.75</sub>Co<sub>0.75</sub>Mn<sub>0.5</sub>O<sub>6−δ</sub> is investigated through neutron diffraction techniques in this study. The material is synthesized using a solid-state synthesis method at a temperature of 1200˚C. Neutron diffraction data is subjected to Rietveld refinement, and a comparative analysis with X-ray diffraction (XRD) data is performed to unravel the structural details of the material. The findings reveal that the synthesized material exhibits a cubic crystal structure with a Pm-3m phase. The neutron diffraction results offer valuable insights into the arrangement of atoms within the lattice, contributing to a comprehensive understanding of the material’s structural properties. This research enhances our knowledge of CaSrFe0.75</sub>Co0.75</sub>Mn0.5</sub>O6−δ</sub>, with potential implications for its applications in various technological and scientific domains. 展开更多
关键词 xrd Neutron diffraction Perovskite Oxides Crystal Structure Solid-State Reaction
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Thermal expansivity of geikielite and ilmenite utilizing in-situ synchrotron X-ray diffraction at high temperature
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作者 Jiamei Song Dawei Fan +4 位作者 Shijie Huang Shanrong Zhang Mengzeng Wu Wei Chen Wenge Zhou 《Acta Geochimica》 EI CAS CSCD 2023年第6期988-997,共10页
The unit-cell parameters and volumes of geikielite(MgTiO_(3))and ilmenite(FeTiO_(3))were investigated at high temperatures up to 700 K and ambient pressure,using in-situ angle-dispersive synchrotron X-ray diffraction.... The unit-cell parameters and volumes of geikielite(MgTiO_(3))and ilmenite(FeTiO_(3))were investigated at high temperatures up to 700 K and ambient pressure,using in-situ angle-dispersive synchrotron X-ray diffraction.No phase transition was detected over the experimental temperature range.Using(Berman in J Petrol29:445-522,1988.10.1093/petrology/29.2.445)equations to fit the temperature-volume data,the volumetric thermal expansion coefficients at ambient conditions(α_(V0))of MgTiO_(3) and FeTiO_(3) were obtained as follows:2.55(6)×10^(-5)K^(-1)and 2.82(10)×10^(-5)K^(-1),respectively.We infer that the larger effective ionic radius of Fe^(2+)(Ⅵ)(0.78 A)than that of Mg^(2+)(Ⅵ)(0.72?)renders FeTiO_(3)has a larger volumetric thermal expansivity than MgTiO_(3).Simultaneously,the refined axial thermal expansion coefficients under ambient conditions areα_(a0)=0.74(3)×10^(-5)K^(-1)andα_(c0)=1.08(5)×10^(-5)K^(-1)for the aaxis and c-axis of MgTiO_(3),respectively,andα_(a0)=0.95(5)×10^(-5)K^(-1)andα_(c0)=0.92(12)×10^(-5)K^(-1)for the aaxis and c-axis of FeTiO_(3),respectively.The axial thermal expansivity of MgTiO_(3) is anisotropic,but that of FeTiO_(3) is nearly isotropic.We infer that the main reason for the different axial thermal expansivity between MgTiO_(3) and FeTiO_(3) is that the thermal expansion mode of the Mg-O bond in MgTiO_(3) is different from that of the Fe-O bonds in FeTiO_(3). 展开更多
关键词 Geikielite ILMENITE Thermal expansion Synchrotron x-ray diffraction High temperature
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Evaluation on residual stresses of silicon-doped CVD diamond films using X-ray diffraction and Raman spectroscopy 被引量:10
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作者 陈苏琳 沈彬 +2 位作者 张建国 王亮 孙方宏 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2012年第12期3021-3026,共6页
The effect of silicon doping on the residual stress of CVD diamond films is examined using both X-ray diffraction (XRD) analysis and Raman spectroscopy measurements. The examined Si-doped diamond films are deposited o... The effect of silicon doping on the residual stress of CVD diamond films is examined using both X-ray diffraction (XRD) analysis and Raman spectroscopy measurements. The examined Si-doped diamond films are deposited on WC-Co substrates in a home-made bias-enhanced HFCVD apparatus. Ethyl silicate (Si(OC2H5)4) is dissolved in acetone to obtain various Si/C mole ratio ranging from 0.1% to 1.4% in the reaction gas. Characterizations with SEM and XRD indicate increasing silicon concentration may result in grain size decreasing and diamond [110] texture becoming dominant. The residual stress values of as-deposited Si-doped diamond films are evaluated by both sin2ψ method, which measures the (220) diamond Bragg diffraction peaks using XRD, with ψ-values ranging from 0° to 45°, and Raman spectroscopy, which detects the diamond Raman peak shift from the natural diamond line at 1332 cm-1. The residual stress evolution on the silicon doping level estimated from the above two methods presents rather good agreements, exhibiting that all deposited Si-doped diamond films present compressive stress and the sample with Si/C mole ratio of 0.1% possesses the largest residual stress of ~1.75 GPa (Raman) or ~2.3 GPa (XRD). As the silicon doping level is up further, the residual stress reduces to a relative stable value around 1.3 GPa. 展开更多
关键词 silicon-doped diamond films silicon doping residual stress x-ray diffraction Raman spectroscopy
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Characterization of Average Molecular Structure of Heavy Oil Fractions by ~1H Nuclear Magnetic Resonance and X-ray Diffraction 被引量:2
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作者 Ren Wenpo Yang Chaohe Shan Honghong 《China Petroleum Processing & Petrochemical Technology》 SCIE CAS 2011年第3期1-7,共7页
The chemical structure of heavy oil fractions obtained by liquid-solid adsorption chromatography was character-ized by 1 H nuclear magnetic resonance and X-ray diffraction.The molecular weight and molecular formula of... The chemical structure of heavy oil fractions obtained by liquid-solid adsorption chromatography was character-ized by 1 H nuclear magnetic resonance and X-ray diffraction.The molecular weight and molecular formula of asphaltene molecules were estimated by combining 1 H nuclear magnetic resonance and X-ray diffraction analyses,and were also ob-tained from vapor pressure osmometry and elemental analysis.Heteroatoms,such as S,N,and O atoms,were considered in the construction of average molecular structure of heavy oils.Two important structural parameters were proposed,including the number of alkyl chain substituents to aromatic rings and the number of total rings with heteroatoms.Ultimately,the av-erage molecular structures of polycyclic aromatics,heavy resins and asphaltene molecules were constructed.The number of α-,β-,γ-,and aromatic hydrogen atoms of the constructed average molecular structures fits well with the number of hydro-gen atoms derived from the experimental spectral data. 展开更多
关键词 heavy oil ASPHALTENE nuclear magnetic resonance (NMR) x-ray diffraction (xrd average molecular structure
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Thermal expansion of kyanite at ambient pressure:An X-ray powder diffraction study up to 1000℃ 被引量:11
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作者 Xi Liu Qiang He +2 位作者 Hejing Wang Michael E. Fleet Xiaomin Hu 《Geoscience Frontiers》 SCIE CAS 2010年第1期91-97,共7页
The thermal expansion coefficients of kyanite at ambient pressure have been investigated by an X-ray powder diffraction technique with temperatures up to 1000 ℃. No phase transition was observed in the experimental t... The thermal expansion coefficients of kyanite at ambient pressure have been investigated by an X-ray powder diffraction technique with temperatures up to 1000 ℃. No phase transition was observed in the experimental temperature range. Data for the unit-cell parameters and temperatures were fitted empirically resulting in the following thermal expansion coefficients: αa = 5.8(3) × 10^-5, αb = 5.8 (1)× 10^-5, αc = 5.2(1)× 10^-5, and αv = 7.4(1) × 10^-3 ℃ 1 in good agreement with a recent neutron powder diffraction study. On the other hand, the variation of the unit-cell angles α, β and γ of kyanite with increase in temperature is very complicated, and the agreement among all studies is poor. The thermal expansion data at ambient pressure reported here and the compression data at ambient temperature from the literature suggest that, for the kyanite lattice, the most and least thermally expandable directions correspond to the most and least compressible directions, respectively. 展开更多
关键词 High temperature KYANITE Thermal expansion x-ray powder diffraction
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SnO_2-based solid solutions for CH_4 deep oxidation: Quantifying the lattice capacity of SnO_2 using an X-ray diffraction extrapolation method
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作者 孙琪 徐香兰 +5 位作者 彭洪根 方修忠 刘文明 应家伟 余帆 王翔 《Chinese Journal of Catalysis》 SCIE EI CAS CSCD 北大核心 2016年第8期1293-1302,共10页
A series of SnO2‐based catalysts modified by Mn, Zr, Ti and Pb oxides with a Sn/M (M=Mn, Zr, Ti and Pb) molar ratio of 9/1 were prepared by a co‐precipitation method and used for CH4 and CO oxidation. The Mn3+, ... A series of SnO2‐based catalysts modified by Mn, Zr, Ti and Pb oxides with a Sn/M (M=Mn, Zr, Ti and Pb) molar ratio of 9/1 were prepared by a co‐precipitation method and used for CH4 and CO oxidation. The Mn3+, Zr4+, Ti4+and Pb4+cations are incorporated into the lattice of tetragonal rutile SnO2 to form a solid solution structure. As a consequence, the surface area and thermal stability of the catalysts are improved. Moreover, the oxygen species of the modified catalysts become easier to be reduced. Therefore, the oxidation activity over the catalysts was improved, except for the one modified by Pb oxide. Manganese oxide demonstrates the best promotional effects for SnO2. Using an X‐ray diffraction extrapolation method, the lattice capacity of SnO2 for Mn2O3 was 0.135 g Mn2O3/g SnO2, which indicates that to form stable solid solution, only 21%Sn4+cations in the lattice can be maximally replaced by Mn3+. If the amount of Mn3+cations is over the capacity, Mn2O3 will be formed, which is not favorable for the activity of the catalysts. The Sn rich samples with only Sn‐Mn solid solution phase show higher activity than the ones with excess Mn2O3 species. 展开更多
关键词 SnO2-based solid solution x-ray diffraction extrapolation method Lattice capacity Methane deep oxidation Carbon monoxide oxidation
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X-ray Diffraction of Dust Particles in Spring Beijing 被引量:5
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作者 ZHENG Nan WANG Hejin +1 位作者 XU Tingjing LI Ting 《Acta Geologica Sinica(English Edition)》 SCIE CAS CSCD 2011年第1期254-262,共9页
X-ray diffractometry was utilized to study the mineralogical characteristics of the inhalable particles (PM10) sampled during two dust storms in Beijing city on March 18th and May 21st, 2008. We confirm, for the fir... X-ray diffractometry was utilized to study the mineralogical characteristics of the inhalable particles (PM10) sampled during two dust storms in Beijing city on March 18th and May 21st, 2008. We confirm, for the first time, that there stably exists ammonium chloride in the atmosphere when temperature is low. The total sulfates particles were affected by relative humidity. Both species and concentration of sulfates decreased first and then grew back by the end of each dust storm. Koninckite, a phosphate mineral never reported as particulate aerosol before, was identified. Meanwhile, our result shows that a chemical modification on dust minerals occurs during long range transportation. PM10 samples collected during the period of dust storms were dominated by crustal minerals such as quartz, illite/smectite, illite, chlorite, feldspar and calcite, and were notably higher in concentration than that in normal periods of time. The amounts of total sulfates, calcite and feldspar altered in each dust storm. It is derived from 24-hour isentropic backward trajectories that two dust events in spring 2008 originated in different sources. 展开更多
关键词 dust storm PM10 x-ray diffraction ammonium chloride
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MULTI-PEAK MATCH INTENSITY RATIO METHOD OF QUANTI-TATIVE X-RAY DIFFRACTION PHASE ANALYSIS 被引量:5
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作者 G. Chu, Y.F. Cong and H.J. YouResearch Center of Analysis and Test, Liaoning University of Petroleum & Chemical Technology, Fushun 113001, China 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 2003年第6期489-494,共6页
A new method for quantitative phase analysis is proposed by using X-ray diffraction multi-peak match intensity ratio. This method can obtain the multi-peak match intensity ratio among each phase in the mixture sample ... A new method for quantitative phase analysis is proposed by using X-ray diffraction multi-peak match intensity ratio. This method can obtain the multi-peak match intensity ratio among each phase in the mixture sample by using all diffraction peak data in the mixture sample X-ray diffraction spectrum and combining the relative intensity distribution data of each phase standard peak in JCPDS card to carry on the least square method regression analysis. It is benefit to improve the precision of quantitative phase analysis that the given single line ratio which is usually adopted is taken the place of the multi-peak match intensity ratio and is used in X-ray diffraction quantitative phase analysis of the mixture sample. By analyzing four-group mixture sample, adopting multi-peak match intensity ratio and X-ray diffraction quantitative phase analysis principle of combining the adiabatic and matrix flushing method, it is tested that the experimental results are identical with theory. 展开更多
关键词 x-ray diffraction multi-peak match intensity ratio quantitative phase analysis
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Analysis of surface orange peel of aluminum-alloy automobile sheet by using of EBSD and X-ray diffraction 被引量:7
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作者 Ma Mingtu Sun Zhifu +2 位作者 Wang Zhiwen Lu Hongzhou Zhou Mingbo 《Engineering Sciences》 EI 2012年第6期7-11,37,共6页
The formation cause of orange peel of aluminum-alloy automotive sheet after tensile deformation was analysed by using X-ray diffraction and electron back-scattered diffraction(EBSD).The test results showed that format... The formation cause of orange peel of aluminum-alloy automotive sheet after tensile deformation was analysed by using X-ray diffraction and electron back-scattered diffraction(EBSD).The test results showed that formation cause of surface orange peel after tensile deformation related to product texture and nonuniform deformation during the tensile process.The grain size has significant effect on deformation uniform and texture formation.Coarse grains were easy to produce nonuniform deformation and texture,which would produce surface orange peel after tensile deformation. 展开更多
关键词 ALUMINUM-ALLOY automotive sheet orange peel TEXTURE EBSD x-ray diffraction
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Investigation of Peak Separation for X-ray Diffraction Profiles of Spinodal Decomposition by a Kind of Optimized Voigt Function 被引量:2
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作者 LiudingWANG JunqiangZHOU +1 位作者 QuanxiCAO ZhaoCHEN 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2003年第4期371-373,共3页
The intensity and position of sidebands (satellites) on both sides of main diffraction peak in a great number of X-ray diffraction profiles of alloys always change with progress of aging. The sidebands position is det... The intensity and position of sidebands (satellites) on both sides of main diffraction peak in a great number of X-ray diffraction profiles of alloys always change with progress of aging. The sidebands position is determined by a newly optimized Voigt function in present investigation. Furthermore, for Cu-4 wt pet Ti alloy aged at 400℃ for 720 min and 1080 min, after introducing the weight factor of above two satellites intensity, the relative error between the fitting curves and X-ray diffraction profiles is less than 0.185%, which is more precise than the previously calculating result. 展开更多
关键词 x-ray diffraction diffraction profile Peak separation Voigt function
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Operando X-ray diffraction analysis of the degradation mechanisms of a spinel LiMn2O4 cathode in different voltage windows 被引量:2
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作者 Fakui Luo Congcong Wei +6 位作者 Chi Zhang Hui Gao Jiazheng Niu Wensheng Ma Zhangquan Peng Yanwen Bai Zhonghua Zhang 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2020年第5期138-146,共9页
The understanding of reaction mechanisms of electrode materials is of significant importance for the development of advanced batteries.The LiMn2O4 cathode has a voltage plateau around 2.8 V(vs.Li^+/Li),which can provi... The understanding of reaction mechanisms of electrode materials is of significant importance for the development of advanced batteries.The LiMn2O4 cathode has a voltage plateau around 2.8 V(vs.Li^+/Li),which can provide an additional capacity for Li storage,but it suffers from a severe capacity degradation.In this study,operando X-ray diffraction is carried out to investigate the structural evolutions and degradation mechanisms of LiMn2O4 in different voltage ranges.In the range of 3.0-4.3 V(vs.Li^+/Li),the LiMn2O4 cathode exhibits a low capacity but good cycling stability with cycles up to 100 cycles and the charge/discharge processes are associated with the reversible extraction/insertion of Li^+from/into LixMn2O4(0≤x≤1).In the range of 1.4-4.4 V(vs.Li^+/Li),a capacity higher than 200 mAh/g is achieved,but it rapidly decays during the cycling.The voltage plateau around 2.8 V(vs.Li^+/Li)is related to the transformation of the cubic LiMn2O4 phase to the tetragonal Li2Mn2O4 phase,which leads to the formation of cracks as well as the performance degradation. 展开更多
关键词 LITHIUM-ION BATTERY OVER-DISCHARGE Phase transition CATHODE OPERANDO x-ray diffraction
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Structure of MgSO_4 in Concentrated Aqueous Solutions by X-Ray Diffraction 被引量:3
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作者 CAO Ling-di FANG Yah FANG Chun-hui 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2011年第3期490-495,共6页
Detailed time-and-space-averaged structure of MgSO4 in the concentrated aqueous solutions was investigated via X-ray diffraction with an X’pert Pro θ-θ diffractometer at 298 K, yielding structural function and radi... Detailed time-and-space-averaged structure of MgSO4 in the concentrated aqueous solutions was investigated via X-ray diffraction with an X’pert Pro θ-θ diffractometer at 298 K, yielding structural function and radial distribution function(RDF). The developed KURVLR program was employed for the theoretical investigation in consideration of the ionic hydration and ion association. Multi-peaks Gaussian fitting method was applied to deconvolving the overlapping bands of Differential radial distribution function(DRDF). The calculation of the geometric model shows that octahedrally six-coordinated Mg(H2O)62+, with an Mg2+…OW bond length of 0.201 nm dominates in the solutions. There exists contact ion-pair(CIP) in the more concentrated solution(1:18, H2O/salt molar ratio) with a coordination number of 0.8 and a characteristic Mg…S distance of 0.340 nm. The result indicates the hydrated SO42– ion happens in the solution. The S…OW bond distance was determined to be 0.382 nm with a coordination number of 13. The fraction of CIP increases significantly with the increasing concentration. The symmetry of the hydration structure of sulfate ion is lowered by forming complex with magnesium ion. 展开更多
关键词 Solution structure x-ray diffraction Magnesium sulfate Radial distribution function(RDF)
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X-ray diffraction analysis of cold-worked Cu-Ni-Si and Cu-Ni-Si-Cr alloys by Rietveld method 被引量:3
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作者 A.KHEREDDINE F.HADJ LARBI +3 位作者 L.DJEBALA H.AZZEDDINE B.ALILI D.BRADAI 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2011年第3期482-487,共6页
Cold worked and annealed supersaturated Cu-2.65Ni-0.6Si and Cu-2.35Ni-0.6Si-0.6Cr alloys were studied. The microstructural parameters evolution, including crystallite size, root mean square strain and dislocation dens... Cold worked and annealed supersaturated Cu-2.65Ni-0.6Si and Cu-2.35Ni-0.6Si-0.6Cr alloys were studied. The microstructural parameters evolution, including crystallite size, root mean square strain and dislocation density was analyzed using Materials Analysis Using Diffraction software (MAUD). The parameters for both alloys have typical values of cold deformed and subsequently annealed copper based alloy. A net change of the crystallite size, root mean square strain and dislocation density values of the alloys aged at 450 °C for 2.5-3 h seems corresponding to the recovery and recrystallization processes. Addition of Cr as quaternary element did not lead to any drastic changes of post deformation or ageing microstructural parameters and hence of recovery-recrystallization kinetics. 展开更多
关键词 Cu-Ni-Si alloy microstructure xrd line profile analysis Materials Analysis Using diffraction software
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Fitting Full X-Ray Diffraction Patterns for Quantitative Analysis: A Method for Readily Quantifying Crystalline and Disordered Phases 被引量:3
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作者 Steve J. Chipera David L. Bish 《Advances in Materials Physics and Chemistry》 2013年第1期47-53,共7页
Fitting of full X-ray diffraction patterns is an effective method for quantifying abundances during X-ray diffraction (XRD) analyses. The method is based on the principal that the observed diffraction pattern is the s... Fitting of full X-ray diffraction patterns is an effective method for quantifying abundances during X-ray diffraction (XRD) analyses. The method is based on the principal that the observed diffraction pattern is the sum of the individual phases that compose the sample. By adding an internal standard (usually corundum) to both the observed patterns and to those for individual pure phases (standards), all patterns can all be normalized to an equivalent intensity based on the internal standard intensity. Using least-squares refinement, the individual phase proportions are varied until an optimal match is reached. As the fitting of full patterns uses the entire pattern, including background, disordered and amorphous phases are explicitly considered as individual phases, with their individual intensity profiles or “amorphous humps” included in the refinement. The method can be applied not only to samples that contain well-ordered materials, but it is particularly well suited for samples containing amorphous and/or disordered materials. In cases with extremely disordered materials where no crystal structure is available for Rietveld refinement or there is no unique intensity area that can be measured for a traditional RIR analysis, full-pattern fitting may be the best or only way to readily obtain quantitative results. This approach is also applicable in cases where there are several coexisting highly disordered phases. As all phases are considered as discrete individual components, abundances are not constrained to sum to 100%. 展开更多
关键词 Full-Pattern QUANTITATIVE x-ray diffraction xrd
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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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