基于蒙特卡罗模拟的透射式XRD背景的定量分析

XRD背景主要来源于空气、装置和样品中光子的散射,XRD分析需准确扣除背景,常用的扣背景方法具有一定的局限。蒙特卡罗模拟可实现光子的甄别与统计,因此可将其用于XRD背景来源的定量分析。相干散射的模拟中需考虑物质的Form Factor,这可由Baró等的拟合式、独立原子模型或德拜公式给出;在20 keV能量及透射几何模式下,通过对骨、尼龙、水等物质的XRD模拟,对探测器中光子来源进行了区分和统计。结果表明,德拜公式计算的空气背景大于独立原子模型;空气散射在小角度时背景占比大,随散射角的增加从100%减小至40%以下,而样品中康普顿散射的计数占比则从0增大至60%以上。该方法可对不同样品组成以及复杂装置结构的XRD背景进行定量分析。

Effect of microwave-assisted acidification on the microstructure of coal:XRD,^(1)H-NMR, and SEM studies

Microwave heating contributes to coal fracturing and gas desorption. However, problems of low penetration depth, local overheating and fracture closure exist. Coal demineralisation by acids has advantages in coal unblocking and permeability improvement, while it is difficult for acid to enter microcracks.Microwave-asisted acidification may offer an alternative. In this work, XRD,^(1)H-NMR, and SEM were used to evaluate the effect of microwave-assisted acidification on the microstructure of coal. Results show that kaolinite, calcite, and dolomite can be dissolved by acid. After microwave irradiation, the graphitization of microcrystalline structure of carbon improves. Microwave-assisted acidification erodes minerals in coal and enhances the graphitization degree of microcrystalline structure. Compared to individual microwave irradiation or acidification, the pore volume and pore connectivity can be greatly enhanced by microwave-assisted acidification. The NMR permeability of coal increased by 28.05%. This study demonstrates the potential of microwave-assisted acidification for coalbed methane recovery.

偏光显微镜和XRD在南非Postmasburg锰矿定性分析中的应用

根据南非Postmasburg锰矿田BIF型矿体中的矿石分带和品位差异,识别出了富锰型矿石、砾岩型矿石以及铁质岩型矿石。为确定各类矿石的矿物成分,了解矿石类型与其矿物成分间的对应关系,以各类矿石为研究对象,对其中的矿物成分进行了研究。采用偏光显微鉴定技术结合X射线衍射物相分析,基于矿物偏光特征和特征衍射峰,对矿石中的矿物进行了定性。结果表明,富锰型矿石中的主量矿物为方铁锰矿和褐锰矿;砾岩型矿石中金属矿物几乎全为赤铁矿,黏土矿物以钠珠云母为主;含砾铁质岩中黏土矿物居多,以白云母为主,金属矿物多为赤铁矿。由此可见,偏光显微鉴定和XRD具有良好的一致性和互补性,尤其是对厚层的沉积型矿床,岩性和岩相具有一定变化序列的情况下,更适合二者相结合进行精确定性分析。

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.

Analysis and Prediction of Effect of Turning Marks Diffraction on Image Quality of Optical System

Single-point diamond turning (SPDT) is widely used in the machining of infrared materials and metal-based mirrors. Diamond tips can scratch material, replicate the shape of the tip, and create annular turning marks on optical surfaces, which can have unpredictable adverse effects on imaging. In order to predict the effect of turning marks diffraction on the degradation of imaging quality, a model of the influence of SPDT processing parameters on the reduction of system imaging MTF under the influence of ideal grating turning marks diffraction was established. The results show that the depth of the turning mark will lead to the decline of MTF, especially the low frequency information. Finally, a method is proposed to reduce the effect of turning marks diffraction through changing the processing parameters. .

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.

Experimental and numerical study on protective effect of RC blast wall against air shock wave

Prototype experiments were carried out on the explosion-proof performance of the RC blast wall.The mass of TNT detonated in the experiments is 5 kg and 20 kg respectively.The shock wave overpressure was tested in different regions.The above experiments were numerically simulated,and the simulated shock wave overpressure waveforms were compared with that tested and given by CONWEP program.The results show that the numerically simulated waveform is slightly different from the test waveform,but similar to CONWEP waveform.Through dimensional analysis and numerical simulation under different working conditions,the equation for the attenuation rate of the diffraction overpressure behind the blast wall was obtained.According to the corresponding standards,the degree of casualties and the damage degree of the brick concrete building at a certain distance behind the wall can be determined when parameters are set.The above results can provide a reference for the design and construction of the reinforced concrete blast wall.

Structural, Magnetic and Heating Efficiency of Ball Milled γ-Fe2O3/Gd2O3 Nanocomposite for Magnetic Hyperthermia

The preparation of γ-Fe2O3/Gd2O3 nanocomposite for possible use in magnetic hyperthermia application was done by ball milling technique. The nanocomposite was characterized by X-ray diffraction (XRD) and vibrating sample magnetometer (VSM). The heating efficiency and the effect of milling time (5 h and 30 h) on the structural and magnetic properties of the nanocomposite were reported. XRD analysis confirms the formation of the nanocomposite, while magnetization measurements show that the milled sample present hysteresis with low coercivity and remanence. The specific absorption rate (SAR) under an alternating magnetic field is investigated as a function of the milling time. A mean heating efficiency of 68 W/g and 28.7 W/g are obtained for 5 h and 30 h milling times respectively at 332 kHz and 170 Oe. The results showed that the obtained nanocomposite for 5 h milling time is a promising candidate for magnetic hyperthermia due to his properties which show an interesting magnetic behavior and high specific absorption rate.

Diffraction deep neural network-based classification for vector vortex beams

The vector vortex beam(VVB)has attracted significant attention due to its intrinsic diversity of information and has found great applications in both classical and quantum communications.However,a VVB is unavoidably affected by atmospheric turbulence(AT)when it propagates through the free-space optical communication environment,which results in detection errors at the receiver.In this paper,we propose a VVB classification scheme to detect VVBs with continuously changing polarization states under AT,where a diffractive deep neural network(DDNN)is designed and trained to classify the intensity distribution of the input distorted VVBs,and the horizontal direction of polarization of the input distorted beam is adopted as the feature for the classification through the DDNN.The numerical simulations and experimental results demonstrate that the proposed scheme has high accuracy in classification tasks.The energy distribution percentage remains above 95%from weak to medium AT,and the classification accuracy can remain above 95%for various strengths of turbulence.It has a faster convergence and better accuracy than that based on a convolutional neural network.

Tailoring electron vortex beams with customizable intensity patterns by electron diffraction holography

An electron vortex beam(EVB) carrying orbital angular momentum(OAM) plays a key role in a series of fundamental scientific researches, such as chiral energy-loss spectroscopy and magnetic dichroism spectroscopy. So far, almost all the experimentally created EVBs manifest isotropic doughnut intensity patterns. Here, based on the correlation between local divergence angle of electron beam and phase gradient along azimuthal direction, we show that free electrons can be tailored to EVBs with customizable intensity patterns independent of the carried OAM. As proof-of-concept, by using computer generated hologram and designing phase masks to shape the incident free electrons in the transmission electron microscope, three structured EVBs carrying identical OAM are tailored to exhibit completely different intensity patterns. Furthermore, through the modal decomposition, we quantitatively investigate their OAM spectral distributions and reveal that structured EVBs present a superposition of a series of different eigenstates induced by the locally varied geometries. These results not only generalize the concept of EVB, but also demonstrate an extra highly controllable degree of freedom for electron beam manipulation in addition to OAM.

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.

Origin of nucleation and growth of extension twins in grains unsuitably oriented for twinning during deformation of Mg-1%Al

A large number of anomalous extension twins,with low or even negative twinning Schmid factors,were found to nucleate and grow in a strongly textured Mg-1Al alloy during tensile deformation along the extruded direction.The deformation mechanisms responsible for this behaviour were investigated through in-situ electron back-scattered diffraction,grain reference orientation deviation,and slip trace-modified lattice rotation.It was found that anomalous extension twins nucleated mainly at the onset of plastic deformation at or near grain boundary triple junctions.They were associated with the severe strain incompatibility between neighbour grains as a result from the differentbasal slip-induced lattice rotations.Moreover,the anomalous twins were able to grow with the applied strain due to the continuous activation ofbasal slip in different neighbour grains,which enhanced the strain incompatibility.These results reveal the complexity of the deformation mechanisms in Mg alloys at the local level when deformed along hard orientations.

准东阜康凹陷XRD录井多层感知器法储层物性评价探索

快速准确评价储层物性是试油选层及压裂定段的关键。为研究准东阜康凹陷二叠系上乌尔禾组优质储层分布层段,探索了多层感知器法在准东阜康凹陷XRD录井储层物性评价中的应用。通过收集大量的XRD录井数据,优选5种特征矿物构建多层感知器法神经网络模型,验证发现所建立的模型能够较好地拟合储层物性参数与矿物含量之间的关系。经过训练的模型在测试数据集上取得了较高的预测准确率,为快速、准确评价储层物性提供了新途径。在KT 5及F 47井应用取得了较好的评价效果,具有一定的推广应用价值。

Reanalysis on the Spectral Characteristics and Materials of Jade Jue Unearthed from Lijiashan Ancient Tomb in Yunnan Province, China

Jade ware Jue is one of the most fashionable ornament in ancient China from the Neolithic Age to the Han Dynasty.In this study,the remnants of jade ware Jue,from Lijiashan ancient tomb group have been tested and analyzed respectively.The samples through a light etch surface showing glass luster and those with a severe etch surface showing earthen luster.With the aid of X-ray fluorescence Spectrometer(X-ray Fluorescence)test and X-ray diffraction(XRD)detection,the results show that tremolite is not the main mineral of the sample.The main components of the tested samples with light erosion are antigorite and talc,although the main components of the samples with severe erosion are calcite containing calcium carbonate barium.Furthermore,the research on jade ware Jue in Yunnan culture has not only contributed to our further understanding of the jade objects from Yunnan culture and the variety of jade material located in the Yunnan Province.It also provides a basis for the trace of the history and culture through the distribution and evolution of burial hierarchy laws.At the same time,the microscopic observation of the tested samples manifested a residual trace of“string”at the perforation,which has played a critical role in restoring the wearing of jade ware Jue from the tombs of the ancient Yunnan State and the handicraft skills at that time.

FTIR和XRD在断层构造煤结构分析中的应用

为探究断层构造作用对煤化学结构特征和微晶结构特征的影响,采用傅里叶变换红外光谱(FTIR)和X射线衍射(XRD)分析,对红庆梁矿和段王矿的原生煤及断层构造煤进行分析。结果表明,受断层构造作用影响,红庆梁、段王断层构造煤中苯环二取代、苯环四取代的含量明显大于原生煤,苯环三取代和苯环五取代的含量低于原生煤,断层构造煤中C—O—C伸缩振动、—CH_(2)反对称弯曲振动、—CH_(3)、—CH_(2)和芳环—OH含量均多于原生煤,断层构造煤中醚C—O振动、芳烃CC、—CH和OH—π含量低于原生煤。红庆梁、段王断层构造煤的芳碳率fa是原生煤的1.01和1.03倍,芳环缩合度DOC是原生煤的1.01倍和3.7倍,CH_(2)/CH_(3)值是原生煤样的0.933倍和0.94倍,芳香度I分别是原生煤样的1.01倍和1.34倍。说明断层构造作用促使官能团和脂肪链脱落,增加煤的缩聚程度,降低煤中脂肪侧链的长度,增大芳香结构含量。XRD测试结果表明,原生煤和断层构造煤具有相近的矿物组分,断层构造作用未对煤中矿物组分的类型产生明显的改变。在2θ=26°附近存在特征(002)带,表明存在少量的层状石墨结构,然而在2θ=45°附近并没有清楚地显示(100)带,说明煤中石墨结构的基面生长水平较低。红庆梁、段王断层构造煤的晶间间距d_(002)值与原生煤相比变化很小,微晶堆积高度L_(c)值分别是原生煤的0.9045倍和0.9027倍,芳香度f_(a)-XRD值分别是原生煤的1.1439倍和1.0669倍,晶体堆叠平均层数N_(ave)值分别是原生煤的0.90945倍和0.92356倍。断层构造作用减小煤的芳香层片堆砌度,增大煤的芳香度,减少了煤微晶结构单元的堆叠层数,说明断层构造促进煤中非芳香化合物向芳香化合物的转化。断层构造煤的芳香度、成熟度更高,断层构造煤的燃烧反应性弱于原生煤。

Method for Measuring Residual Stresses Induced by Boring in Internal Surface of Tube and Its Validation with XRD Method

Residual stresses can have a strong effect on the usability of machined parts,and the X-ray diffraction(XRD)measuring equipment,which is commonly used to measure residual stresses,is very expensive.This paper presents a method of measuring the residual stresses induced by boring in the internal surface of a tube with much cheaper equipment.The method,called the strain-based method is mainly based on the strains measured on the external surface of the tube.It is proposed on the basis of the very long tube assumption.The finite element method(FEM)analysis is thus used to validate the length of the tube.Guided by the FEM results,an appropriate length of the tube is chosen,and the residual stresses are obtained from both the strain-based method and the XRD method.Stress profiles obtained from both two methods are compared.The comparison result indicates that the profiles of the two methods agree well with each other.Therefore,it can be concluded that the accuracy of the strain-based method is high enough,and it can be applied to residual stress measurement in practice.

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.

AN EXTERNAL STANDARD METHOD OF QUANTITATIVE PHASE ANALYSIS OF THE SAMPLE CONTAINING AN AMORPHOUS PHASE BY X—RAY DIFFRACTION

A new method of the quantitative phase analysis of sample containing an amorphous phase or a standardless phase br X-ray diffration is proposed in the paper.The addtion of a reference phase or some analvtical phase to the analvzed sample is not required in this method and the experimintal results are satis factory..