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Correlation between crystal structure and mechanical performance of Cr-implanted 300M high-strength steel using X-ray diffraction method 被引量:1
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作者 Xiao-hu Chen Ping-ze Zhang +5 位作者 Dong-bo Wei Xiao Huang Feng Ding Feng-kun Li Xian-jun Dai Zhang-zhong Wang 《Journal of Iron and Steel Research International》 SCIE EI CAS CSCD 2019年第10期1106-1116,共11页
In order to study the influence of crystal structure change due to implantation dose on the hardness and wear performance of 300M high-strength steel,samples were surface modified by Cr implantation with dosages of 5.... In order to study the influence of crystal structure change due to implantation dose on the hardness and wear performance of 300M high-strength steel,samples were surface modified by Cr implantation with dosages of 5.0 × 10^16,1.5 × 10^17 and 3.0 × 10^17 ions/cm^2.X-ray diffraction method,which was already applied in studies on the microstructure of deformed and heat-treated materials,was used to study the crystal structure of the implanted steel,and the results were corrected with the hardness and wear performance.The solid solution strengthening effect and microstructure vary with increase in implantation dose.Owing to strong solid solution hardening of Cr,small average crystallite size and high dislocation density,the hardness and wear resistance of implanted steel with dose of 5.0 × 10^16 ions/cm^2 were found to be the highest compared with other samples.Moreover,although the crystal lite size of the implanted sample with dose of 3 × 10^17 ions/cm^2 was similar to that of substrate and the dislocation density was lower than that of the substrate,its higher hardness and lower specific wear rate were due to the solid solution hardening and perhaps Cr clusters reinforcement. 展开更多
关键词 x-ray diffraction method Ion IMPLANTATION DISLOCATION density HARDNESS Wear Crystal structure
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DETERMINATION OFTHE CRYSTALLINITY IN DIFFERENT TYPE POLY (OXYETHYLENE-STYRENE)BLOCK COPOLYMERS BY X-RAY DIFFRACTION METHOD
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作者 姚宁 《Chinese Journal of Polymer Science》 SCIE CAS CSCD 1989年第4期315-321,共7页
By means of the intensity theory of X-ray scattering and the two-phase concept of high polymer, the basic formula of the crystaUinity in block copolymers has been proposed after the corrections of atomic, temperature,... By means of the intensity theory of X-ray scattering and the two-phase concept of high polymer, the basic formula of the crystaUinity in block copolymers has been proposed after the corrections of atomic, temperature, absorption, Lorentz and polarization factor. Application of this method to different type poly (oxyethylene-styrene)block copolymers and the same type block copolymers with different EO contents indicates that the crystallinity in poly (oxyethylene-styrene ) block copolymers increases with the increase of the EO content and decreases in the order: PEO-PS-PEO>PEO-PS>PS-PEO-PS. 展开更多
关键词 Crystallinity formula x-ray diffraction Block copolymers Poly (oxyethylene—styrene).
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Residual stress measurement of coarse-grain aluminum alloy using X-ray diffraction method
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作者 Sun Jiantong Li Xiaoyan +2 位作者 Zhang Liang Yan Wentao Li Qingqing 《China Welding》 EI CAS 2016年第2期34-39,共6页
When measuring residual stress of coarse-grain aluminum alloy using X-ray diffraction method, the diffraction profile shows two peaks and position of measured 20 will be changed, which lead to an inaccurate measuremen... When measuring residual stress of coarse-grain aluminum alloy using X-ray diffraction method, the diffraction profile shows two peaks and position of measured 20 will be changed, which lead to an inaccurate measurement result. Hence, in this paper, some methods were employed to improve the measurement accuracy. During the measuring process, different parameters (diameter of irradiated area, Ψ-oscillation range and exposure time) were selected and profile peak shift method was utilized. Moreover, when the 20 of profiles was determined, different calculation methods were used to calculate the residual stress. The results show that diameter of irradiated area and Ψ-oscillation range have significant influence on the measuring result. For stress value calculated directly from the test equipment, cross correlation method is more accurate than the absolute peak. Furthermore, another two calculation methods of slope with 2θ- sin^2Ψ and ε- sin^2Ψwere used to calculate the stress based on parameters (2θ, ε) obtained from cross correlation method. It is concluded that 2θ - sin^2Ψ method can further improve the measurement accuracy. 展开更多
关键词 coarse grain residual stress x-ray diffraction
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Detecting dynamic structural evolution based on in-situ high-energy X-ray diffraction technology for sodium layered oxide cathodes
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作者 Yan-Jiang Li Shu-Lei Chou Yao Xiao 《Chinese Chemical Letters》 2025年第2期118-132,共15页
The detrimental phase transformations of sodium layered transition metal oxides(Na_(x)TMO_(2))during desodiation/sodiation seriously suppress their practical applications for sodium ion batteries(SIBs).Undoubtedly,com... The detrimental phase transformations of sodium layered transition metal oxides(Na_(x)TMO_(2))during desodiation/sodiation seriously suppress their practical applications for sodium ion batteries(SIBs).Undoubtedly,comprehensively investigating of the dynamic crystal structure evolutions of Na_(x)TMO_(2)associating with Na ions extraction/intercalation and then deeply understanding of the relationships between electrochemical performances and phase structures drawing support from advanced characterization techniques are indispensable.In-situ high-energy X-ray diffraction(HEXRD),a powerful technology to distinguish the crystal structure of electrode materials,has been widely used to identify the phase evolutions of Na_(x)TMO_(2)and then profoundly revealed the electrochemical reaction processes.In this review,we begin with the descriptions of synchrotron characterization techniques and then present the advantages of synchrotron X-ray diffraction(XRD)over conventional XRD in detail.The optimizations of structural stability and electrochemical properties for P2-,O3-,and P2/O3-type Na_(x)TMO_(2)cathodes through single/dual-site substitution,high-entropy design,phase composition regulation,and surface engineering are summarized.The dynamic crystal structure evolutions of Na_(x)TMO_(2)polytypes during Na ion extraction/intercalation as well as corresponding structural enhancement mechanisms characterizing by means of HEXRD are concluded.The interior relationships between structure/component of Na_(x)TMO_(2)polytypes and their electrochemical properties are discussed.Finally,we look forward the research directions and issues in the route to improve the electrochemical properties of Na_(x)TMO_(2)cathodes for SIBs in the future and the combined utilizations of multiple characterization techniques.This review will provide significant guidelines for rational designs of high-performance Na_(x)TMO_(2)cathodes. 展开更多
关键词 Layered oxides Sodium-ion batteries Phase evolutions In-situ high-energy x-ray diffraction ELECTROCHEMISTRY
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Depression of pyrrhotite superstructures in copper flotation:A synchrotron X-ray powder diffraction and DFT study
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作者 Alireza Rezvani Foad Raji +3 位作者 Rong Fan R.Kappes Zhiyong Gao Yongjun Peng 《International Journal of Mining Science and Technology》 2025年第8期1259-1270,共12页
Pyrrhotite naturally occurs in various superstructures including magnetic(4C)and non-magnetic(5C,6C)types,each with distinct physicochemical properties and flotation behaviors.Challenges in accurately identifying and ... Pyrrhotite naturally occurs in various superstructures including magnetic(4C)and non-magnetic(5C,6C)types,each with distinct physicochemical properties and flotation behaviors.Challenges in accurately identifying and quantifying these superstructures hinder the optimization of pyrrhotite depression in flotation processes.To address this critical issue,synchrotron X-ray powder diffraction(S-XRPD)with Rietveld refinement was employed to quantify the distribution of superstructures in the feed and flotation concentrates of a copper–gold ore.To elucidate the mechanisms influencing depression,density functional theory(DFT)calculations were conducted to explore the electronic structures and surface reactivity of the pyrrhotite superstructures toward the adsorption of water,oxygen and hydroxyl ions(OH-)as dominant species present in the flotation process.S-XRPD analysis revealed that flotation recovery rates of pyrrhotite followed the order of 4C<6C<5C.DFT calculations indicated that the Fe 3d and S 3p orbital band centers exhibited a similar trend relative to the Fermi level with 4C being the closest.The Fe3d band center suggested that the 4C structure possessed a more reactive surface toward the oxygen reduction reaction,promoting the formation of hydrophilic Fe-OH sites.The S 3p band center order also implied that xanthate on the non-magnetic 5C and 6C surfaces could oxidize to dixanthogen,increasing hydrophobicity and floatability,while 4C formed less hydrophobic metal-xanthate complexes.Adsorption energy and charge transfer analyses of water,hydroxyl ions and molecular oxygen further supported the high reactivity and hydrophilic nature of 4C pyrrhotite.The strong bonding with hydroxyl ions indicated enhanced surface passivation by hydrophilic Fe–OOH complexes,aligning with the experimentally observed flotation order(4C<6C<5C).These findings provide a compelling correlation between experimental flotation results and electronic structure calculations,delivering crucial insights for optimizing flotation processes and improving pyrrhotite depression.This breakthrough opens up new opportunities to enhance the efficiency of flotation processes in the mining industry. 展开更多
关键词 Pyrrhotite depression Synchrotron x-ray powder diffraction analysis Pyrrhotite superstructures DFT simulation Surface reactivity
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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:2
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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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Microstructural origins of high strength of Al-Si alloy manufactured by laser powder bed fusion:In-situ synchrotron radiation X-ray diffraction approach 被引量:3
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作者 Naoki Takata Mulin Liu +4 位作者 Masahiro Hirata Asuka Suzuki Makoto Kobashi Masaki Kato Hiroki Adachi 《Journal of Materials Science & Technology》 SCIE EI CAS CSCD 2024年第11期80-89,共10页
The microstructural factors contributing to the high strength of additive-manufactured Al-Si alloys us-ing laser-beam powder bed fusion(PBF-LB)were identified by in-situ synchrotron X-ray diffraction in tensile deform... The microstructural factors contributing to the high strength of additive-manufactured Al-Si alloys us-ing laser-beam powder bed fusion(PBF-LB)were identified by in-situ synchrotron X-ray diffraction in tensile deformation and transmission electron microscopy.PBF-LB and heat treatment were employed to manufacture Al-12%Si binary alloy specimens with different microstructures.At an early stage of de-formation prior to macroscopic yielding,stress was dominantly partitioned into the α-Al matrix,rather than the Si phase in all specimens.Highly concentrated Si solute(~3%)in the α-Al matrix promoted the dynamic precipitation of nanoscale Si phase during loading,thereby increasing the yield strength.After macroscopic yielding,the partitioned stress in the Si phase monotonically increased in the strain-hardening regime with an increase in the dislocation density in the α-Al matrix.At a later stage of strain hardening,the flow curves of the partitioned stress in the Si phase yielded stress relaxation owing to plastic deformation.Therefore,Si-phase particles localized along the cell walls in the cellular-solidified microstructure play a significant role in dislocation obstacles for strain hardening.Compared with the results of the heat-treated specimens with different microstructural factors,the dominant strengthening factors of PBF-LB manufactured Al-Si alloys were discussed. 展开更多
关键词 Laser powder bed fusion Aluminum alloys Microstructures x-ray diffraction(XRD) Strain hardening
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STRUCTURE DETERMINATION OF KANGLEMEISU A BY X-RAY DIFFRACTION METHOD
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作者 鲍光宏 贺存恒 +4 位作者 徐常富 姚家星 王南金 穆善田 郑启泰 《Science China Chemistry》 SCIE EI CAS 1987年第11期1181-1189,共9页
Kanglemeisu A (C50H63O19N·CH3OH) is the product of an actinomyces species from a soil sample gathered in China. Kanglemeisu A belongs to the triclinic system, space group P1,unit cell:a=12.760(3), b=10.287(2)... Kanglemeisu A (C50H63O19N·CH3OH) is the product of an actinomyces species from a soil sample gathered in China. Kanglemeisu A belongs to the triclinic system, space group P1,unit cell:a=12.760(3), b=10.287(2), c=9.926(2) , α=88.39(2),β=78.64(2), γ=89.14(2). RANTAN direct method is used to solve the structure.The final discrepancy factor is R=0.0689, after atom coordinates and temperature factors have been refined with full matrix least squares.The structure skeleton consists of four parts, the naphthalene nucleus connected to the 5-membered ring, a 17-membered ring connected to C2, a dimethyl butane diacid extended out from C20, β-D-3,4-OO’ methylenedigitoxose passing through an oxygen bridge O6 and linked to C27 of ansa ring. 展开更多
关键词 In STRUCTURE DETERMINATION OF KANGLEMEISU A BY x-ray diffraction method
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The influence of post-aging treatment on the microstructure and micromechanical behaviors of additively manufactured maraging steel investigated by in situ high-energy X-ray diffraction 被引量:1
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作者 Yang Li Jingyue Yu +4 位作者 Shilei Li Shengjie Wang Yang Ren Ke Yang Yan-Dong Wang 《Journal of Materials Science & Technology》 CSCD 2024年第33期1-12,共12页
The microstructure evolution and micromechanical behaviors of additively manufactured 18Ni_(3)00 marag-ing steel for both as-printed and aged one were investigated using the in situ high-energy X-ray diffrac-tion(HE-X... The microstructure evolution and micromechanical behaviors of additively manufactured 18Ni_(3)00 marag-ing steel for both as-printed and aged one were investigated using the in situ high-energy X-ray diffrac-tion(HE-XRD)technique with uniaxial tensile tests.The investigations revealed that the volume frac-tion of reversed austenite increased as the annealing temperature rose.The maraging steel was strength-ened byη-Ni_(3)Ti precipitates,where the aged maraging steel had a higher UTS value of∼1860 MPa than∼1135 MPa in the as-printed one,but sacrificed more than half of ductility(from∼8.6%to∼4.0%).The austenite in aged steel presents more stability induced by the aging process than that in as-printed counterpart,which has a higher critical martensitic transformation stress of∼1200 MPa than that of∼780 MPa in as-printed steel.The austenite grains orientated with[200]//LD yield before the macro-yielding and preferential martensite transformation occurs.This study provides further insight into the intricated micromechanical responses of additively manufactured 18Ni_(3)00 maraging steel,enlarging the scope of its adaptation and application. 展开更多
关键词 Additive manufacturing Maraging steel Aging treatment High-energy x-ray 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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Coupled study on in-situ synchrotron high-energy X-ray diffraction and in-situ EBSD on the interfacial stress gradient in layered metals
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作者 Kesong Miao Yiping Xia +7 位作者 Rengeng Li Emad Maawad Weimin Gan Xuewen Li Hao Wu Chenglu Liu Qing Liu Guohua Fan 《Journal of Materials Science & Technology》 CSCD 2024年第32期184-196,共13页
As one of the heterostructures,the layered structure has attracted extensive research interest as it achieves superior properties to individual components.The layer interface is considered a critical fac-tor in determ... As one of the heterostructures,the layered structure has attracted extensive research interest as it achieves superior properties to individual components.The layer interface is considered a critical fac-tor in determining the mechanical properties of layered metals,where heterogeneity across the interface results in the strengthening of the soft layer and forming an interfacial stress gradient in the hard layer.However,there is still limited research associated with the formation of interfacial stress gradients in the hard layer,as stress measurement at high spatial resolution remains technically challenging.In the present study,we experimentally quantified the formation of interfacial stress gradients in the Ti layer of Ti/Al layered metal upon tension using in-situ high-energy X-ray diffraction(XRD).The analysis cou-pling in-situ high-energy XRD and in-situ electron back-scattered diffraction(EBSD)suggested that the interfacial stress gradient in the Ti layer rapidly rose as the Al layer was insufficient to accommodate the deformation of Ti.During the later deformation stage,collective effects of dislocation motion and geometrically necessary dislocation(GND)accumulation in the Al layer determined the evolution of in-terfacial stress gradients.The maximum interfacial stress gradient is below 0.4 MPa/μm in Ti layers,with a constant range width of 35μm independent of the macroscopic strain.The present study therefore opens a new window to local stress modification using incompatible component deformation,which is instructive for the design and fabrication of high-performance layered metals. 展开更多
关键词 Layered metals Interfacial stress gradient High-energy x-ray diffraction Mechanical property Plastic deformation
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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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The determination of the crystal struoure of tetra-potassium uranyl tricarbonate by powder X-ray diffraction method
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作者 HAN, Jian-Cheng RONG, Suo-Bao +1 位作者 CHEN, Qi-Ming WU, Xin-Ran Department of Chemistry, East China Normal University, Shanghai 200062 《Chinese Journal of Chemistry》 SCIE CAS CSCD 1990年第4期313-318,共10页
A uranyl compound, K_4UO_2(CO_3)_3 has been characterized by powder X-ray diffraction method. M. W.=606.46, monoclinic, C2/c (No. 15), a=1.0240(7), b=0.9198(4), c=1.2222(12)nm, β=95.12(4)°,V=1.1466(5)nm^3, Z=4, ... A uranyl compound, K_4UO_2(CO_3)_3 has been characterized by powder X-ray diffraction method. M. W.=606.46, monoclinic, C2/c (No. 15), a=1.0240(7), b=0.9198(4), c=1.2222(12)nm, β=95.12(4)°,V=1.1466(5)nm^3, Z=4, D_m=3.468g/cm^3, D_c=3.513g/cm~, λ(Cu Kα_1)=O.1540598nm, T=298K. The structure was solved by heavy atom method and Fourier synthesis, and refined by full- matrix least-squares method to R=0.1185 for 275 reflections. The uranium (Ⅵ) atom is in an eight-coordinate distorted hexagonal-bipyramidal environment with creasy fan shape. The linear uranyl group approaches to perpendicular to the equatorial plane in which three carbonate groups are chelated. U(Ⅵ) has two linear oxygen atoms closer to it (U-O=0.1767 (5) nm) than six other neighbours (U-O ranging from 0.2516 to 0.2568nm). The distances between carbon atoms and uncoordinated oxygen atoms are 0.122 (1) and 0.123(1) nm, which are distinctly different from those between carbon and coordinated oxygen atoms (mean 0.134(6) nm). This fact reveals the non-eq- uivalence of one oxygen atom to the other two in each carbonate. In K_4UO_2(CO_3)_3, the O-O dis- tance for the adjacent carbonate groups is 0.2794(4)nm approaching to the sum of Van der Waals radii of two oxygen atoms. The K-O distances vary between 0.2667 and 0.3131nm, and each anion is immediately surrounded by six potassium ions, only four of which can be considered to belong to the same structural formula unit, and they are symmetrically located above and below the equatorial plane. 展开更多
关键词 der The determination of the crystal struoure of tetra-potassium uranyl tricarbonate by powder x-ray diffraction method
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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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Influence of Replacement Level of Coal-series Kaolin on Hydration of Ordinary Portland Cement by X-ray Diffraction/Rietveld Method 被引量:1
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作者 LIU Yuanyuan LEI Shaomin 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2019年第3期614-621,共8页
The influence of replacement level of calcined coal-series kaolin(CCK) on hydration of ordinary Portland cement(OPC) was studied by X-ray diffraction(XRD)/Rietveld method. X-ray diffraction/Rietveld method was used to... The influence of replacement level of calcined coal-series kaolin(CCK) on hydration of ordinary Portland cement(OPC) was studied by X-ray diffraction(XRD)/Rietveld method. X-ray diffraction/Rietveld method was used to quantify the crystalline phase composition of the hydrated samples. Additionally, the morphology of hydrated samples was observed by scanning electron microscopy(SEM). The results showed that, calcium hydroxide(CH), ettringite(AFt) and amorphous phase content in hydrated samples decreased as the replacement level of CCK increased, while AFm and str?tlingite increased, which was caused by the combination of dilute, physical and pozzolanic effects. The hydration of anhydrous cement phases was accelerated by physical effect but hindered by the retardation effect of CCK. The role of each effects was discussed in detail to analyze the mechanism of OPC hydration with CCK addition. The SEM images showed that the shortening of AFt at 1 day and the denser texture at 28 days was observed with CCK addition, which was caused by the physical and pozzolanic effects, respectively. 展开更多
关键词 CALCINED coal-series KAOLIN x-ray diffraction/rietveld method HYDRATION cement PASTE morphology
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In situ X-ray diffraction and thermal analysis of LiNi0.8Co0.15Al0.05O2 synthesized via co-precipitation method 被引量:2
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作者 Na Zhang Xiaoyu Zhang +7 位作者 Erbo Shi Shiyong Zhao Kezhu Jiang Di Wang Pengfei Wang Shaohua Guo Ping He Haoshen Zhou 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2018年第6期1655-1660,共6页
LiNi0.9Co0.15Al0.05O2 (NCA) material is successfully synthesized with a modified co-precipitation method,in which NH3,H2O and EDTA are used as two chelating agents. The obtained LiNi0.9Co0.15Al0.05O2 materialhas wel... LiNi0.9Co0.15Al0.05O2 (NCA) material is successfully synthesized with a modified co-precipitation method,in which NH3,H2O and EDTA are used as two chelating agents. The obtained LiNi0.9Co0.15Al0.05O2 materialhas well-defined layered structure and uniform element distribution, which reveals an enhanced electro-chemical performance with a capacity retention of 97.9% after 100 cycles at 0.2 C, and reduced thermalrunaway from the isothermal calorimetry test. In situ X-ray diffraction (XRD) was employed to capturethe structural changes during the charge-discharge process. The reversible evolutions of lattice parame-ters (a, b, c, and V) further verify the structural stability. 展开更多
关键词 LiNi0.9Co0.15Al0.05O2 CO-PRECIPITATION Isothermal calorimetry Insitu x-ray diffraction
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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:4
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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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AN INCREMENTAL METHOD OF X-RAY DIFFRACTION QUANTITATIVE PHASE ANALYSIS OF SAMPLESCONTAINING AMORPHOUS MATERIAL
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作者 G. Chu(Department of Applied Chemistry Fushun Petroleum Institute, Fushun 113001, China) 《Acta Metallurgica Sinica(English Letters)》 SCIE EI CAS CSCD 1997年第1期35-38,共4页
A new method for quantitative X-ray diffraction phase analysis of a powder misture has been developed according to Popovic's doping method. The weight fraction of amorphous material in the analysed sample is obtai... A new method for quantitative X-ray diffraction phase analysis of a powder misture has been developed according to Popovic's doping method. The weight fraction of amorphous material in the analysed sample is obtained. For a multicomponent system in which (n-2) pure phases are added into an n-phase compnent sample and theweight fractions of all n phases can be determined by the method. The test results of confirmation agree well with the theory. 展开更多
关键词 x-ray diffraction quantitative phase analysis amorphous material mass absorption coefficient
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