Intensity correlation properties of x-ray beams split with Laue diffraction

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.

The Crystal Structure Study of CaSrFe0.75Co0.75Mn0.5O6−δ by Neutron Diffraction

The crystal structure of CaSrFe0.75Co0.75Mn0.5O6−δ 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 CaSrFe0.75Co0.75Mn0.5O6−δ, with potential implications for its applications in various technological and scientific domains.

Thermal expansivity of geikielite and ilmenite utilizing in-situ synchrotron X-ray diffraction at high temperature

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).

Tracking the phase transformation and microstructural evolution of Sn anode using operando synchrotron X-ray energy-dispersive diffraction and X-ray tomography

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.

DIFFERENTIAL SCANNING CALORIMETRY AND X-RAY DIFFRACTION STUDIES ON AGING BEHAVIOR OF Zn-Al ALLOYS

Decomposition processes of the quenched Zn-Al alloys were studied by differential scanning calorimetry (DSC), X-ray diffraction(XRD) and transmission electron microscopy (TEM). The results show that the stabilities of supersaturated solid solution (SSS) of Zn-Al alloy and α’ phase formed by quenching would reduce with increasing Zn content and precipitating ηZn phases even when aging at ambient temperature, so that exothermic precipitation peak in DSC curse would disappear. The activation enengy of the ηZn precipitation and their reaction enthalpy were calculated and measured. The kinetics of α’ decomposition or η-Zn formation was determined by XRD. The microstructure change during aging was observed by TEM.

Operando X-ray diffraction analysis of the degradation mechanisms of a spinel LiMn2O4 cathode in different voltage windows

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.

Fitting Full X-Ray Diffraction Patterns for Quantitative Analysis: A Method for Readily Quantifying Crystalline and Disordered Phases

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%.

Ultrafast structural dynamics using time-resolved x-ray diffraction driven by relativistic laser pulses

Based on a femtosecond laser plasma-induced hard x-ray source with a high laser pulse energy(>100 mJ)at 10 Hz repetition rate,we present a time-resolved x-ray diffraction system on an ultrafast time scale.The laser intensity is at relativistic regime(2×10^(19)W/cm^(2)),which is essential for effectively generating K_(α)source in high-Z metal material.The produced copper K_(α)radiation yield reaches to 2.5×10^(8)photons/sr/shot.The multilayer mirrors are optimized for monochromatizating and two-dimensional beam shaping of Kαemission.Our experiment exhibits its ability of monitoring the transient structural changes in a thin film SrCoO_(2.5)crystal.It is demonstrated that this facility is a powerful tool to perform dynamic studies on samples and adaptable to the specific needs for different particular applications with high flexibility.

In situ X-ray diffraction and thermal analysis of LiNi0.8Co0.15Al0.05O2 synthesized via co-precipitation method

LiNi_(0.8)Co_(0.15)Al_(0.05)O_2(NCA) material is successfully synthesized with a modified co-precipitation method,in which NH_3·H_2O and EDTA are used as two chelating agents. The obtained LiNi_(0.8)Co_(0.15)Al_(0.05)O_2 material has well-defined layered structure and uniform element distribution, which reveals an enhanced electrochemical performance with a capacity retention of 97.9% after 100 cycles at 0.2 C, and reduced thermal runaway from the isothermal calorimetry test. In situ X-ray diffraction(XRD) was employed to capture the structural changes during the charge–discharge process. The reversible evolutions of lattice parameters(a, b, c, and V) further verify the structural stability.

Influence of Replacement Level of Coal-series Kaolin on Hydration of Ordinary Portland Cement by X-ray Diffraction/Rietveld Method

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 stratiingite 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.

Elastic modulus of TiN film investigated with Kroner model and X-ray diffraction

The four point bending method was applied to measure X ray elastic constants(XEC) of (422) and (331) planes of TiN coating. Elastic Modulus and XECs of all the crystal planes were calculated by Kroner method. The results from the calculation and the experiment were compared. It is concluded that the XECs values of same film prepared by different techniques scatter a little because of the effects of stoichiometric proportion and microstructure of films. [

Thermal Behavior and Determination of the Heated Structure of 11ÅAnomalous Tobermorite by in situ X-ray Diffraction

This article presents the thermal transitions of a tobermorite-bearing sample when heated from 30℃ up to 1200℃,both in vacuum and in static air,including tobermorite transforming to wollastonite,aragonite to calcite and calcite to lime.Characteristics obtained by in situ high temperature X-ray diffraction,field emission scanning electron microscopy and scanning transmission electron microscopy analyses jointly indicate that the investigated tobermorite is anomalous.The variations along the a,b,c axes and the volume changes of tobermorite with increasing temperature are described,and its thermal shrinkage coefficients therefore determined.The comparison between the refined structures at 30℃ and 800℃ demonstrates that the shrinkage degree(Δa/a0)along the a axis is higher than those(Δb/b0,Δc/c0)along the b and c axes.The wollastonite is formed in two ways:Tobermorite converting to wollastonite and lime reacting with quartz to form wollastonite.

X-Ray Diffraction, Electron Paramagnetic Resonance and Optical Absorption Study of Bauxite

The bauxite mineral obtained from Araku, Vishakapatnam district of Andhra Pradesh, India is used in the present work. Structural characterization was performed by X-ray diffraction (XRD). The mineral was found to be gibbsite in phase. The transitional metal ions present were investigated using electron paramagnetic resonance (EPR) and optical absorption spectra. The EPR results suggest that Fe3+ has replaced Al3+ in the unit cell of bauxite. The optical absorption spectrum is due to Fe3+ which indicates that it is in distorted octahedral environment. The near-infrared (NIR) spectrum is due to water fundamentals and combination overtones, which confirm the formula of the compound. The impurities in the mineral are identified using spectroscopic techniques.

X-RAY POWDER DIFFRACTION STUDY FOR RE COMPOUND GdNiSn

The compound GdNiSn has been studied by X-ray powder diffraction technique.The crystal structure and the X-ray diffraction data for this compound at room temperature are reported.The compound GdNiSn is orthorhombic with lattice parameters a=7.2044(1)A,b=7.6895(6)A,c=4.4772(4)A,space group Pna2_(1) and 4 formula units of GdNiSn in unit cell.The Smith and Snyder figure of index F_(30) for this compound is 35(0.015,59).

CRYSTAL STRUCTURE AND X-RAY POWDER DIFFRACTION DATA FOR RE COMPOUND HoNiSb

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Introducing a Novel Approach for Oil-Oil Correlation based on Asphaltene Structure: X-ray Diffraction

Asphaltenes have always been an attractive subject for researchers.However,the application of this fraction of the geochemical field has only been studied in a limited way.In other words,despite many studies on asphaltene structure,the application of asphaltene structures in organic geochemistry has not so far been assessed.Oil-oil correlation is a wellknown concept in geochemical studies and plays a vital role in basin modeling and the reconstruction of the burial history of basin sediments,as well as accurate characterization of the relevant petroleum system.This study aims to propose the Xray diffraction(XRD)technique as a novel method for oil-oil correlation and investigate its reliability and accuracy for different crude oils.To this end,13 crude oil samples from the Iranian sector of the Persian Gulf region,which had previously been correlated by traditional geochemical tools such as biomarker ratios and isotope values,in four distinct genetic groups,were selected and their asphaltene fractions analyzed by two prevalent methods of XRD and Fouriertransform infrared spectroscopy(FTIR).For oil-oil correlation assessment,various cross-plots,as well as principal component analysis(PCA),were conducted,based on the structural parameters of the studied asphaltenes.The results indicate that asphaltene structural parameters can also be used for oil-oil correlation purposes,their results being completely in accord with the previous classifications.The average values of distance between saturated portions(d_(r))and the distance between two aromatic layers(d_(m))of asphaltene molecules belonging to the studied oil samples are 4.69Aand 3.54A,respectively.Furthermore,the average diameter of the aromatic sheets(L_(a)),the height of the clusters(L_(c)),the number of carbons per aromatic unit(C_(au)),the number of aromatic rings per layer(R_(a)),the number of sheets in the cluster(M_(e))and aromaticity(f_(a))values of these asphaltene samples are 10.09A,34.04A,17.42A,3.78A,10.61Aand 0.26A,respectively.The results of XRD parameters indicate that plots of dr vs.d_(m),d_(r) vs.M_(e),d_(r) vs.f_(a),d_(m) vs.L_(c),L_(c) vs.L_(a),and f_(a) vs.L_(a) perform appropriately for distinguishing genetic groups.A comparison between XRD and FTIR results indicated that the XRD method is more accurate for this purpose.In addition,decision tree classification,one of the most efficacious approaches of machine learning,was employed for the geochemical groups of this study for the first time.This tree,which was constructed using XRD data,can distinguish genetic groups accurately and can also determine the characteristics of each geochemical group.In conclusion,the obtaining of structural parameters for asphaltene by the XRD technique is a novel,precise and inexpensive method,which can be deployed as a new approach for oil-oil correlation goals.The findings of this study can help in the prompt determination of genetic groups as a screening method and can also be useful for assessing oil samples affected by secondary processes.

Rietveld refinement of powder X-ray diffraction,microstructural and mechanical studies of magnesium matrix composites processed by high energy ball milling

This research reports the processing of magnesium matrix composites reinforced with silicon carbide(SiC)and aluminium oxide(Al_(2)O_(3))using powder metallurgy technique through high energy milling.Samples of Mg-SiC and Mg-Al_(2)O_(3)composites subjected to high energy ball milling for different vol%of secondary particles 20,30 and 40%of SiC and Al_(2)O_(3)are studied by X-Ray diffraction technique.The rietveld method as implemented in the Fullprof program is applied in order to determine the quantities of the resulting crystalline phases and amorphous phases at each stage of the mechanical treatment.Microstructural examination is carried out using Scanning Electron Microscope(SEM).In addition,crystal structural analysis using appropriate size and strain models is performed in order to handle the distinctive anistrophy that is observed in convinced crystallographic directions for the magnesium composite.The results are furnished in terms of crystalline domains size enlargement of the magnesium composites phases upon prolonged milling duration and discussed in the light of up to date views and theories on crystal growth of nanocrystaline materials.The hardness of the composite samples is calculated by Vickers’s Hardness tester.Further,dry sling wear test and corrosion test are performed for the fabricated composites.Composite with 30%secondary particles incorporated magnesium composites exhibits better wear and corrosion resistance than the other composites.

Powder x-ray diffraction and Rietveld analysis of (C_(2)H_(5)NH_(3))_(2)CuCl_(4)

Structural properties of the organic-inorganic hybrid(C_(2)H_(5)NH_(3))_(2)CuCl_(4) have been investigated by means of x-ray powder diffraction and Rietveld analysis. A structural phase transition from Pbca to Aba2 occurs at T_(4)= 240 K, which results in a paraelectric–ferroelectric phase transition. The release of the Jahn–Teller distortion with increasing temperature toward T_(4) is revealed by the structural analysis.

Ab initio Structure Determination of [Co(NH_3)_5Br]Br_2 Using Conventional X-ray Powder Diffraction

The crystal structure of [Co(NH3)5Br]Br2 has been determined ab initio from the conventional X-ray powder diffraction data. The approximate structure with all 7 indeyendent non-H atoms was solved by direct methods. The final orthorhombic unit-cell parameters after Rietveld refinement are: a=13.6927, b=10.7071, c=6.9400A, V=1017.47A3, F30=93(0.0075,43), M20=49, Z=4. Space group is Pnma. The structure agreement factors are: Rp=0.066,Rwp=0.090, RF=0.041, RB=0.042.

Synchrotron X-Ray Diffraction Studies on the New Generation Ferromagnetic Semiconductor Li(Zn,Mn)As under High Pressure

The pressure effect on the crystalline structure of the Ⅰ-Ⅱ-Ⅴ semiconductor Li(Zn,Mn)As ferromagnet is studied using in situ high-pressure x-ray diffraction and diamond anvil cell techniques. A phase transition starting at ~11.6 GPa is found. The space group of the high-pressure new phase is proposed as Pmca. Fitting with the Birch-Murnaghan equation of state, the bulk modulus B_0 and its pressure derivative B_0~' of the ambient pressure structure with space group of F43m are B_0 = 75.4 GPa and B_0~'= 4.3, respectively.