127 results about "Diffraction spectrum" patented technology

Methods of characterizing a sample comprising one or more organic compounds are provided, comprising: receiving a X-ray diffraction spectrum for the sample, and inputting the X-ray diffraction spectrum for the sample into a deep learning model trained using a contrastive learning loss to produce latent space representations such that pairs of input X-ray diffraction spectra assigned a first binary label have latent space representations that are closer to each other than pairs of input X-ray diffraction spectra assigned a second binary label Related methods, products and systems are also described.

To overcome the technical problems existing in current ternary materials for lithium-ion batteries, this disclosure provides a ternary material with the chemical formula LiNi. 1‑x‑y Co x Mn y M a O2, wherein 0 < x ≤ 0.1, 0 < y ≤ 0.3, 0 < a ≤ 0.05, and M is selected from one or more of Zr, Ti, Zn, Mg, Ta, V, W, Al and B; the ternary material includes single crystal particles; in the X-ray diffraction spectrum of the ternary material, there are (108) diffraction peaks at a diffraction angle 2θ of 64 ± 0.5° and (110) diffraction peaks at a diffraction angle 2θ of 65 ± 0.5°, and satisfy the following relationship: The ternary material provided in this disclosure has good crystallinity and layered structure stability, thereby enabling the prepared lithium-ion battery to have high cycle life, rate performance and energy density.

Described is a method of preparing bis (2-hydroxyethyl) terephthalate (BHET) monomer crystals comprising the steps of providing a mixture of BHET monomers and oligomers thereof, a carrier liquid, and impurities; providing BHET seed crystals in the mixture; forming BHET monomer crystals from the mixture comprising the BHET seed crystals, thereby obtaining BHET monomer crystals in a mother liquor; and separating the BHET monomer crystals from the mother liquor; wherein the powder X-ray diffraction spectrum of the BHET seed crystals at least has characteristic intensity peaks at 2Ɵ about equal to 10.7°, 14.4°, 18.9° and 21.6°, where Ɵ is the angle of diffraction, and / or the IR spectrum of the BHET seed crystals at least has characteristic absorption peaks at λ about equal to 3260 cm-1 and 897 cm-1, where λ is the ordinary wavenumber. The obtained BHET monomer crystals have superior filtration properties. Also described is a method of preparing the BHET seed crystals, a method of depolymerizing a terephthalate polymer using the BHET seed crystals, as well as a corresponding reactor system for depolymerizing said terephthalate polymer.

The invention relates to the technical field of batteries, in particular to a battery. The battery comprises a negative plate and an electrolyte, the negative plate comprises a negative electrode active material, the negative electrode active material comprises polyhedral silicon carbon, and the polyhedral silicon carbon comprises a porous carbon matrix and silicon particles located in pores in the porous carbon matrix; the porous carbon matrix comprises mesopores, and the pore volume ratio of the mesopores is 70%-95%; in an X-ray diffraction pattern of the porous carbon matrix, a first diffraction peak exists when 2theta is equal to 0-5 degrees; the electrolyte comprises fluoroethyl acetate, and the content of the fluoroethyl acetate is 25%-60% based on the total mass of the electrolyte. The battery provided by the invention has good low-temperature performance and rate capability.

To overcome the technical problems existing in the prior art ternary material, the present disclosure provides a ternary material, the chemical formula of which is LiNi 1‑x‑y Co x Mn y M a O2, wherein 0 < x ≤ 0.1, 0 < y ≤ 0.1, 0 < a ≤ 0.05, M is selected from one or more of Zr, Ti, Zn, Mg, Ta, V, W, Al and B; the ternary material comprises polycrystalline particles; in the X-ray diffraction spectrum of the ternary material, the (108) diffraction peak at a diffraction angle 2θ of (64±0.5)° and the (110) diffraction peak at a diffraction angle 2θ of (65±0.5)° satisfy the following relationship: The present disclosure provides a ternary material, and the satisfaction of this relationship can ensure that the material has good crystallinity and stability of layered structure, so that the prepared ternary material has high cycle life, rate performance and specific capacity.

The present invention makes it possible to provide: an intermetallic compound that has exceptional long-time durability while exhibiting excellent catalytic activity at low temperature and exceptional methanol synthesis selectivity in methanol synthesis from CO2 or CO, or an intermetallic-compound-containing substance containing said intermetallic compound; a catalyst in which the same is used; a method for producing methanol; and a method for producing an intermetallic compound or an intermetallic-compound-containing substance containing said intermetallic compound. An intermetallic compound according to an embodiment includes a crystal lattice in which a first metal atom and a second metal atom are present at adjacent positions, and includes the first metal atom and the second metal atom. The first metal atom is Pd; the second metal atom is one or more selected from the group consisting of Zn, In, and Ga; in the X-ray diffraction spectrum before temperature rise desorption measurement, the position of the peak of the intermetallic compound is different from the position of the peak of the first metal atom and from the position of the peak of the second metal atom; and the BET specific surface area is 1 m2 / g or greater.

A toner including a toner particle containing a binder resin containing an amorphous polyester A and a crystalline polyester C, and a wax, and a silica fine particle, wherein the content of the crystalline polyester C is within a specific range, the softening point of the amorphous polyester A satisfies a specific relationship, and in an X-ray diffraction spectrum under a specific temperature condition for the toner, there is a peak corresponding to the crystalline polyester C, a wax index AW1 and a crystalline polyester index AC1 of the toner satisfy a specific relationship, the silica fine particle contains a silica fine particle A having a maximum diameter of primary particle in a specific range, and the average coverages of the surface of the toner before and after the toner is treated with hexane with the silica fine particle A satisfy a specific relationship.

The application provides a positive electrode sheet, a battery and an electric device. The positive electrode sheet comprises a lithium iron manganese phosphate material, the X-ray crystal diffraction spectrum of the positive electrode sheet comprises a characteristic peak of a (200) crystal face with 2θ of 17.2±0.5° and a characteristic peak of a (020) crystal face with 2θ of 29.7±0.5°; the average stacking size D(200) on the (200) crystal face, the average stacking size D(020) on the (020) crystal face and the average particle size D 平均 satisfy the following relationships: D(200) / D(020)≥1.15 and 10%≤D(200) / D 平均 ≤30%. The application makes the positive electrode sheet have high lithium ion diffusion rate and cycle stability by special crystal structure and particle size limitation, and further makes the battery have excellent cycle performance and rate performance.

A solid electrolyte containing a molecular crystal and a fluorine-containing polymer, the molecular crystal including an organic molecule having at least one kind of atom selected from a sulfur atom, an oxygen atom, a nitrogen atom, and a phosphorus atom, and an alkali metal salt, the solid electrolyte having a diffraction spectrum derived from the molecular crystal in X-ray diffraction.

The invention relates to a high-crystallization mercury-based II-VI group nanocrystal synthesis method based on an octadecene-amine mixed solvent. The method comprises the following steps: providing a mercury-containing compound as a mercury source; providing a precursor solution capable of releasing II-VI group element anions; octadecene and an amine-containing surfactant are mixed in proportion to serve as a reaction solvent; injecting the precursor solution into a reaction solvent containing a mercury source in an inert atmosphere, and reacting under the condition that the temperature is lower than the thermal injection temperature to generate the mercury-based II-VI group nanocrystal with small size and higher crystal quality; and cooling and purifying the reaction product to obtain the target nanocrystal. By mixing the non-polar solvent and the amine surfactant, the concentration of the surfactant is reduced, the growth rate of the crystal is slowed down, the low-temperature controllable reaction is realized, the nanocrystal of which the particle size is 2-5nm and the crystal quality is remarkably improved is obtained, and the half-peak width of an X-ray diffraction pattern can be less than 0.7 degree (2 theta). The problems that the crystal size is difficult to control and the crystal quality is insufficient in a traditional method are solved.

The invention relates to the technical field of crystal form medicine molecules, and particularly discloses a brexpiprazole-p-toluenesulfonic acid crystal form as well as a preparation method and application thereof. The brexpiprazole-p-toluenesulfonic acid-crystal form disclosed by the invention is radiated by Cu-K alpha, and an X-ray diffraction pattern represented by 2 theta has characteristic peaks at least at 3.2 + / -0.2 degrees, 6.3 + / -0.2 degrees, 9.4 + / -0.2 degrees, 18.6 + / -0.2 degrees and 28.0 + / -0.2 degrees. The purity of the prepared brexpiprazole-p-toluenesulfonic acid-crystal form is higher than 99.9%, and the brexpiprazole-p-toluenesulfonic acid-crystal form has high solubility and good stability. The method is simple in preparation process and has a relatively good industrial application prospect.

The invention provides an image processing method and apparatus, and an electronic device. The method comprises the steps of obtaining an XRD atlas image comprising a coordinate axis and a diffraction spectral line under the coordinate axis; sampling the XRD atlas image for N times by using a sampling frame with a preset size by taking the original point of the coordinate axis as a sampling starting point to obtain coordinates of all pixel points of a diffraction spectral line; in the ith sampling process, obtaining coordinates of at least two pixel points of a diffraction spectral line in the sampling frame according to the sampling position of the sampling frame under the ith sampling, and determining the sampling position of the sampling frame under the (i + 1) th sampling based on the trend of the diffraction spectral line according to the coordinates of the at least two pixel points; and converting the coordinates of all the pixel points of the diffraction spectral line into corresponding target physical quantities, and generating diffraction spectral line information. In this way, the accuracy of the coordinates of the pixel points of the acquired diffraction spectral line is high, and the accuracy of the physical quantity of the acquired diffraction spectral line is improved.

Provided is a type I crystal of a free base of 4-(4-(3-((2-(tert-butylamino)ethyl)amino)-6-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)piperidin-1-yl)-5,5-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one, which has peaks at, at least, 2 diffraction angles (2θ±0.2°) selected from the following (a), and at, at least, 2 diffraction angles (2θ±0.2°) selected from the following (b), in a powder X-ray diffraction spectrum (CuKα):(a) 6.2°, 9.3°, 9.7°, 11.1°, 15.4° and 25.1°; and(b) 6.7°, 8.3°, 8.7°, 13.0°, 13.7°, 16.3°, 16.9°, 17.7°, 18.7°, 19.4°, 20.3°, 25.9° and 26.5°.

The application discloses a self-supporting thin film photocathode design method for improving the dynamic range of a transmission grating spectrometer, and the photocathode is designed by using a self-supporting thin film and an equal-width photocathode slit, so that the difference in photoelectron density in the high-energy area and the low-energy area of a diffraction spectrum is reduced, the dynamic range of the time-resolved transmission grating spectrometer is improved, and the time resolution of the spectrometer along the length direction of the photocathode is kept unchanged. Compared with a conventional equal-width photocathode and a flat-response photocathode, the self-supporting thin film photocathode can reduce the difference in photoelectron density in the high-energy area and the low-energy area of the diffraction spectrum on the photocathode, and improve the dynamic range of the spectrometer. Compared with a width-second-gradual photocathode, the self-supporting thin film photocathode can keep the time resolution of the time-resolved transmission grating spectrometer along the length direction of the photocathode unchanged, and solve the problem that the quantitative spectral analysis is difficult due to the change of the time resolution of the width-second-gradual photocathode along the length direction of the photocathode.

The application provides a positive electrode active material precursor, a preparation method and application thereof. The first aspect of the application provides a positive electrode active material precursor, which has a chemical composition of Ni x Mn y M 1‑x‑y (OH)2, 0.3≤x<0.8, 0.2 3 ; in the X-ray diffraction spectrum, the precursor has a 001 peak, and the diffraction intensity I[001] of the 001 peak is greater than 5000; along the direction perpendicular to the 001 crystal surface, the average size D[001] of the crystal grain is greater than 10 nm. The precursor provided by the application is helpful to improve the electrochemical performance of the battery.

The invention relates to the technical field of batteries, in particular to a silicon-carbon negative electrode material and a battery. The silicon-carbon negative electrode material comprises a porous carbon matrix and a silicon material located in an internal pore channel of the porous carbon matrix, the porous carbon matrix is provided with mesopores, and the pore volume ratio of the mesopores is 75%-98% based on the pore volume of the porous carbon matrix; in an X-ray diffraction pattern of the porous carbon matrix, a diffraction peak exists when 2theta is equal to 0.8 to 4.2 degrees, and the half-peak width of the diffraction peak is 0.08 to 0.15 degrees; the graphitization degree of the porous carbon matrix is 30%-50%; and the sphericity degree of the silicon-carbon negative electrode material is 0.6-0.95. Comprising the silicon-carbon negative electrode material disclosed by the invention has good cycling stability and rate capability.

The application discloses a distortion overlapping spectrum separation method and a related device, relates to the technical field of spectrum separation, and can be applied to fiber sensing spectrum, Raman spectrum and X-ray diffraction spectrum. The method comprises the following steps: obtaining and preprocessing distortion overlapping spectrum data through simulation, constructing a training data set through data enhancement and splitting simulation, extracting features and calculating a contrast learning loss by using a double-encoder network, reconstructing spectrum components by using a double-decoder network and calculating a reconstruction loss, training a model by combining the contrast learning loss and the reconstruction loss, fine-tuning a target model through actual measurement data, and finally performing spectrum separation by using the target model and outputting physical parameters. The method does not require a large amount of manually labeled data, can improve the processing capacity for spectrum distortion and overlapping through self-supervised contrast learning and physical constraints, can enhance the adaptability to complex environments, can greatly reduce strain measurement errors, can effectively solve the demodulation problem of spectrum distortion and overlapping, and can meet the high-precision requirement of precise structure health monitoring.

The invention discloses an alloy nanoparticle catalyst for a water electrolysis hydrogen evolution reaction. The alloy nanoparticle catalyst is characterized in that the catalyst is PtFe alloy nanoparticles. The PtFe alloy catalyst is nano-particles with uniform size, and the particle size of the nano-particles is 2-5 nm. The content of Pt is 28%-42%, and the content of Fe is 58%-72%. A one-step hydrothermal synthesis method is adopted, transition metal Fe is introduced through an alloy strategy, Pt-based binary alloy nanoparticles are synthesized, and the particle size is about 2-5 nm. By testing an X-ray diffraction spectrum, the crystal configuration is face-centered cubic. The corresponding overpotential of the PtFe alloy nanoparticles under the current density of 10 mA cm <-2 > is 25 mV, which is superior to that of commercial Pt / C (32 mV), so that the PtFe alloy nanoparticles are more favorable for promoting the hydrogen evolution reaction of electrolyzed water. After 20,000 cycles of cyclic stability tests, the activity of the PtFe alloy nanoparticles is only reduced by 4%, and commercial Pt / C is reduced by 20%. In a constant-current stability test, the voltage of the PtFe alloy nanoparticles is almost unchanged within 100 hours, and commercial Pt / C is reduced by 14%. The catalyst not only has good catalytic activity, but also has excellent stability.

Provided is a BEA-type zeolite having high acid strength and crystallinity in a wide range of SiO2 / Al2O3 molar ratios. One of the present invention is a BEA-type zeolite in which, in an NH3-TPD spectrum when the temperature is increased at 10 DEG C / min by an ammonia programmed temperature desorption method (NH3-TPD method), the peak of a peak derived from adsorption to an acid site of the BEA-type zeolite is within the range of 340 DEG C to 500 DEG C (inclusive), and the peak of the peak derived from adsorption to the acid site of the BEA-type zeolite is within the range of 340 DEG C to 500 DEG C (inclusive). The ratio (A / B) of the maximum diffraction intensity (A) of the peak of the BEA-type zeolite to the diffraction intensity (B) of the (111) plane of Si of a standard substance 640c issued by the National Standard of America and the Institute of Technology, in an X-ray diffraction spectrum measured by an X-ray diffraction method using a CuK [alpha] ray, is 25 or more.

The invention relates to a diffraction spectrum array imaging system and a spectrum reconstruction method, in particular to a high-energy-efficiency integrated diffraction spectrum array imaging system and a parallel spectrum reconstruction method, and solves the problems that an existing diffraction spectrum array imaging system is low in energy utilization rate, poor in imaging quality, large in size and low in cost. And the technical problems of complex spectrum reconstruction and low precision are solved. According to the high-energy-efficiency integrated diffraction spectrum array imaging system provided by the invention, the diffraction lens array module and the micro-fluidic lens array module are connected through the coupling integration module, so that the problem of excessive energy loss caused by direct coupling of the diffraction lens array module and the micro-fluidic lens array module can be avoided; meanwhile, the coupling integration module comprises a three-stage coupling array of a coupling positive lens array, an aperture diaphragm array and a collimating lens array, and is simple in structure, efficient and small in size. The invention further provides a parallel spectrum reconstruction method, the PSF and the spectrum are corrected at the same time through a left-path and right-path parallel space structure, and high-precision reconstruction of the diffraction spectrum is achieved in combination with a 3D U-net network structure.

The present application belongs to the technical field of crystal form of drug molecules, and particularly relates to a new crystal form of 5-HT1F receptor agonist, i.e. hemisuccinate lasmiditan. The crystal form of hemisuccinate lasmiditan provided by the present application has characteristic peaks at 4.95±0.2°, 15.83±0.2°, 16.38±0.2°, 18.53±0.2°, 20.01±0.2° and 26.11±0.2° in an X-ray diffraction spectrum expressed in 2θ using Cu-Kα radiation. The obtained crystal form has good stability, does not have crystal transformation phenomenon, is suitable for long-term storage of drug preparations, has high solubility and bioavailability, provides a new option for drug preparations, has a simple preparation process, good repeatability and is suitable for industrialized production.

A machine vision task, machine learning task, and / or classification of objects is performed using a diffractive optical neural network device. Light from objects passes through or reflects off the diffractive optical neural network device formed by multiple substrate layers. The diffractive optical neural network device defines a trained function between an input optical signal from the object light illuminated at a plurality or a continuum of wavelengths and an output optical signal corresponding to one or more unique wavelengths or sets of wavelengths assigned to represent distinct data classes or object types / classes created by optical diffraction and / or reflection through / off the substrate layers. Output light is captured with detector(s) that generate a signal or data that comprise the one or more unique wavelengths or sets of wavelengths assigned to represent distinct data classes or object types or object classes which are used to perform the task or classification.

The application belongs to the technical field of crystal form drug molecules, and specifically provides a clozapine-2-indole carboxylic acid co-crystal. The prepared clozapine-2-indole carboxylic acid co-crystal uses Cu-Kα radiation, and the X-ray diffraction spectrum expressed in 2θ has characteristic peaks at 5.82±0.2°, 12.85±0.2°, 14.37±0.2°, 17.87±0.2°, 26.98±0.2° and 27.80±0.2°. The method for preparing the clozapine-2-indole carboxylic acid co-crystal is simple in operation, the prepared crystal has high purity, good chemical stability in a solid state and good solubility. The preparation process is simple, and the application has good industrial application prospect.

The application relates to the structural composition of a [2+2] photocycloaddition polymer and a preparation method thereof, and relates to the technical field of functional materials. The polymer introduces a closed dodecaborane anion, two polymers are prepared by the application, and the two polymers can both undergo [2+2] cycloaddition under the irradiation of ultraviolet light. The [2+2] cycloaddition of the polymer is verified by nuclear magnetic resonance hydrogen spectrum, single crystal X-ray diffraction spectrum, powder single crystal X-diffraction spectrum, infrared spectrum and the like. The application shows the great potential of a supramolecular organic framework material based on B 12 H 12 2‑ in the field of topological chemistry, and lays a solid foundation for the in-depth research in the field in the future.

The invention discloses a gem and jade output and mineralization condition analysis method, and relates to the technical field of mineral exploration and mineral spectroscopy analysis. The method comprises the following steps: grading and sampling primary ore and secondary ore; performing high-pressure closed digestion and element analysis to obtain the content of a target element; calculating chemical mineralization indexes, establishing a spectrum and diffraction spectrum library, and extracting a characteristic peak area ratio as a spectroscopic standard variable; acquiring a cathode luminescence image and a spectrum and determining an intensity ratio; integrating a chemical metallogenic index, a spectroscopic standard variable, a cathode luminescence intensity ratio and a regional geological variable into a target feature vector, and modeling based on a machine learning model and an interpretation algorithm to obtain a metallogenic analysis model; and outputting a mineralization probability index and performing grading judgment according to a threshold value. According to the method, through multi-source geology-geochemistry-spectroscopy information fusion and machine learning modeling, the accuracy and efficiency of gem and jade metallogenic condition recognition and prospective area / target area judgment are improved.

A coated steel sheet with low brightness from the moment of preparation and suppressed coating peeling is provided. The coated steel sheet of the present invention has a coating consisting of Al of 1.0 to 22.0% by mass, Mg of 1.5 to 10.0% by mass, and the remainder being Zn and any trace additives. The lightness L of the surface of the coated steel plate is less than 50, and the X-ray diffraction spectrum obtained by X-ray diffraction satisfies all of the following conditions (1) to (3): (1) A / B is more than 0.001 and less than 0.015; (2) A / C is more than 1.2; (3) The half-width d of the peak of A is more than 0.30 degrees and less than 1.00 degrees, where A is the peak intensity of the peak representing the 100 plane of ZnO that appears at 31.27 degrees or more and between 32.27 degrees, B is the peak intensity of the peak representing the 101 plane of Zn that appears at 42.73 degrees or more and between 43.73 degrees, and C is the intensity at 30.00 degrees of 2θ.

The invention belongs to the technical field of crystal form drug molecules, and particularly relates to salts of abiraterone derivatives, in particular to glutarate of L-valine abiraterone. The glutarate of L-valine abiraterone provided by the invention has characteristic peaks at the positions of 8.2 + / -0.2 degrees, 8.9 + / -0.2 degrees, 9.9 + / -0.2 degrees, 16.5 + / -0.2 degrees, 17.0 + / -0.2 degrees, 17.8 + / -0.2 degrees and 19.8 + / -0.2 degrees in an X-ray diffraction spectrum represented by 2 theta. The glutarate has improved dissolution and dissolution performance, can play a therapeutic role more effectively, and is good in stability, small in adhesiveness and convenient to store and process.

Provided is an exhaust gas purification catalyst that suppresses phosphorus poisoning and improves long-term durability. The exhaust gas purification catalyst includes a phosphorus collection layer and a catalyst layer containing at least one precious metal element Mp selected from the group consisting of Pt, Pd, and Rh, wherein the phosphorus collection layer is arranged on the upper layer side and / or the upstream side with respect to the catalyst layer; the phosphorus collection layer contains a composite oxide containing Al and an alkaline earth metal element Ma that includes Mg and that may include at least one selected from the group consisting of Ca, Sr, and Ba, and having a cubic spinel structure belonging to the space group Fd-3m; the composite oxide has a Ma / Al molar ratio in a range of 0.02 or more and 0.60 or less; and the composite oxide has a peak derived from the cubic spinel structure belonging to the space group Fd-3m of the composite oxide between a diffraction angle 2θxMaO that is a position of a peak derived from an alkaline earth metal oxide MaO and a diffraction angle 2θxAl2O3 that is a position of a peak derived from an aluminum oxide Al2O3 in an X-ray diffraction spectrum.

The present application relates to the field of carbonate decomposition, in particular to a method for hydrogen refining dolomite double metal carbonate, the specific method is to pass reducing gas into dolomite for hydrogenation reaction, the method does not need to use catalyst;The crystal structure of dolomite is: in X-ray diffraction spectrum, there are two characteristics: (1) d104=2.88Å;(2) superstructure (h0l) and (0kl) diffraction line (l is odd) appears on the spectrum, at 2θ angle 22.05 o 、30.9 o 、35.3 o 、41.1 o 、44.9°, dolomite has the characteristic diffraction peak of (101), (104), (015), (113), (202). The present application can reduce the refining temperature of dolomite without using catalyst by preparing dolomite with specific crystal structure, at the same time, carbon in dolomite is converted into carbon monoxide and methane, and the generation of carbon dioxide is reduced, therefore, the present application reduces energy consumption and the processing cost of carbon dioxide, and the overall scheme has high economic value.

A positive electrode active material. The positive electrode active material comprises a lithium manganese oxide. An X-ray diffraction spectrum of the positive electrode active material has a first diffraction peak θ1 and a second diffraction peak θ2 within a range from 17° to 20°. A peak position difference Δθ1 between the first diffraction peak and the second diffraction peak satisfies 0<Δθ1<2, and the peak intensity IB of the second diffraction peak and the peak intensity IA of the first diffraction peak satisfy 0<IB / IA≤0.15.