165 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.

The embodiment of the invention provides a sodium battery positive electrode material as well as a preparation method, a precursor and application thereof. The sodium battery positive electrode material comprises a sodium-based metal oxide, an X-ray diffraction spectrum of the material comprises diffraction peaks of the following 12 crystal faces: (003), (006), (101), (012), (104), (107), (018), (110), (113), (1010), (116) and (024), and the ratio of the peak area of the diffraction peak of the crystal face (003) to the sum of the peak areas of the diffraction peaks of the 12 crystal faces is less than 25%. The positive electrode material meeting the conditions is high in particle sphericity degree and relatively round and full in structure, so that the material is relatively high in compaction density and relatively good in dynamic performance, and the energy density and the rate capability of the sodium battery are conveniently improved.

The invention discloses an X-ray diffraction spectrum sparse reconstruction method and system based on a dynamic dictionary, and the method comprises the steps: generating an initial dictionary, and carrying out the dynamic optimization and updating of the dictionary, and obtaining a sparse dictionary; selecting an X-ray diffraction scanning angle subset based on the sparse dictionary, constructing an observation matrix, encoding an observation process, and obtaining compressed and sampled X-ray diffraction projection data; and sparse vectors are obtained from the obtained X-ray diffraction projection data after compressed sampling, and a reconstruction spectrum is obtained. And the accuracy of sparse representation is improved. The invention provides a high-throughput XRD (X-Ray Diffraction) material spectrogram analysis method combining dynamic dictionary learning, a compressed sensing theory and deep learning, and aims to improve the analysis efficiency and precision of crystal structure recognition and phase composition in new material research and development.

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 a diffraction spectrum information sensing system and method, in particular to a high-modulation integrated cellulose liquid crystal diffraction spectrum device and a preparation method thereof and a diffraction spectrum information sensing system and method, and solves the technical problems that an existing liquid crystal diffraction spectrum device is narrow in regulation and control wave band and low in integration level. According to the high-modulation integrated cellulose liquid crystal diffraction spectrum device, a diffraction light field in an XY plane is obtained by utilizing the diffraction microstructure of the diffraction micro-area in the cellulose liquid crystal diffraction layer, diffraction spectrum information can be obtained through single imaging of a detector, and the situation that a spectrum is expanded in the Z-axis direction by a traditional diffraction spectrum device is avoided; the detector needs to move many times to obtain complex operation of diffraction spectrum information, moving parts are not needed, the integration degree is higher, and the size is smaller; and meanwhile, the modulation layer can realize dynamic fine regulation and control of the diffraction spectrum, and the regulation and control wave band is wide. According to the diffraction spectrum information sensing system, the space-time modulation of the diffraction spectrum information is realized through the control unit and the additional modulator.

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.

To provide a lead acid battery that can improve heavy load life performance.SOLUTION: A lead acid battery includes a positive electrode plate, a negative electrode plate, a porous film interposed between the positive electrode plate and the negative electrode plate, and an electrolyte, and the porous film contains a resin, in an X-ray diffraction spectrum of the porous film, a ratio expressed as I110 / (I110+I200) is 0.6 or more, where I110 is the integrated intensity of the diffraction peak corresponding to the (110) plane and I200 is the integrated intensity of the diffraction peak corresponding to the (200) plane, and the chemical oxygen demand of the electrolyte is less than 170 mg / L.SELECTED DRAWING: Figure 1

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.

In an X-ray diffraction spectrum obtained by an X-ray diffraction method, when the diffraction intensity of a diffraction peak present at a diffraction angle 2 [theta] = 23.50 DEG to 24.00 DEG is set as I1 and the diffraction intensity of a diffraction peak present at a diffraction angle 2 [theta] = 24.05 DEG to 24.55 DEG is set as I2, I1 is the diffraction intensity of a diffraction peak present at a diffraction angle 2 [theta] = 23.50 DEG to 24.00 DEG, and I2 is the diffraction intensity of a diffraction peak present at a diffraction angle 2 [theta] = 24.05 DEG to 24.55 DEG. And (I3 + I4) / (I1 + I2) is 1.60 or more, where I3 is the diffraction intensity of a diffraction peak present at a diffraction angle 2 [theta] = 24.60-25.05 DEG, and I4 is the diffraction intensity of a diffraction peak present at a diffraction angle 2 [theta] = 25.20-26.60 DEG.

The present invention provides: a resin composition comprising a polyimide precursor and a solvent, wherein a cured product obtained by heating the resin composition at 300°C for 60 minutes exhibits a diffraction peak in the range of 5°-15° in an X-ray diffraction spectrum, and the crystallite size derived from the diffraction peak is 30 Å or more; a cured product obtained by curing the resin composition; a laminate comprising the cured product; and a method for producing the cured product.

The present invention relates to the recycling and utilization of lithium-ion batteries, and in particular to a method and system for identifying the properties of solid waste raw materials for lithium-ion battery recycling. When the present invention conducts solid waste identification on lithium-ion battery recycling raw materials, it first obtains the X-ray fluorescence spectrum element spectrum and X-ray diffraction spectrum of the material, extracts characteristic parameters related to the material composition, and adopts a machine learning method to combine the advantages of X-ray fluorescence spectrum and diffraction spectrum to more accurately determine the main components of the material, thereby solving the problem of single instrument analysis in the prior art. Then, a machine learning method is used to determine the source properties of the material, select the applicable product quality standard based on the main components of the material, and further determine whether the material is solid waste based on whether the material meets the requirements of the product quality standard, thereby obtaining results more quickly and accurately.

Disclosed are bioavailable solid state (17-β)-3-Oxoandrost-4-en-17-yl dodecanoate compositions and methods of use in administration to mammals in need of thereof. The (17-β)-3-Oxoandrost-4-en-17-yl dodecanoate is preferably provided in a solid state crystalline form having a plurality of peaks corresponding to the peaks shown in FIG. 2, a plurality of crystallites ranging in size from about 40 nm to about 60 nm based as identified via powder x-ray diffraction spectra, and a melting point in the range of about 51° C. to about 63° C. The compositions may be provided in oral or injectable administration form for the treatment of conditions such as in need of testosterone therapy. An exemplary chemical structure of a (17-β)-3-Oxoandrost-4-en-17-yl dodecanoate composition disclosed herein is as follows:

The present invention relates to a thermoelectric conversion element and an article having the same. The present invention provides a thermoelectric conversion element having a thermoelectric conversion layer containing a thiophene polymer, wherein the X-ray diffraction spectrum of the thermoelectric conversion layer shows a peak intensity at a diffraction angle (2θ) of 7.9° that is at least five times the peak intensity at a diffraction angle (2θ) of 25.8°.

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.

Provided is an intermetallic compound having excellent catalytic performance. An intermetallic compound according to an embodiment includes a lattice in which a first metal atom and a second metal atom are present at adjacent positions, the first metal atom being one or more elements selected from the group consisting of Pd, Rh, and Ir, the second metal atom being Mo, and in an X-ray diffraction spectrum prior to thermal desorption measurement, a diffraction angle 2 [theta] is greater than 2 [theta]. The present invention is characterized by having a first peak between 42 DEG and 44 DEG and a second peak between 55 DEG and 58 DEG after a thermal desorption measurement, the intensity of the first peak and the intensity of the second peak after the thermal desorption measurement being equal to or lower than that before the thermal desorption measurement, and the BET specific surface area being 1 m2 / g or more.

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.