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3500 results about "Crystal structure" patented technology

In crystallography, crystal structure is a description of the ordered arrangement of atoms, ions or molecules in a crystalline material. Ordered structures occur from the intrinsic nature of the constituent particles to form symmetric patterns that repeat along the principal directions of three-dimensional space in matter.

Catalyst for preparing acrylic acid and butyl ester using lactic acid method and preparation method thereof

The invention discloses a catalyst used for preparing acrylic acid and butyl ester by the dehydration of butyl lactate and a preparation method thereof. The catalyst is a composite catalyst, comprising a main catalyst A and auxiliary catalysts B, C, D and E, wherein, A is calcium sulphate, B is sulphuric acid, C is phosphate, D is alkaline matter and E is promoter. The preparation method comprises the steps as follows: five compositions A, B, C, D and E are sufficiently mixed, baked for 2-10 hours at the temperature of 200-800DEG C and formed for standby. The catalyst has high catalytic activation; under the catalysis of the catalyst, the molar yield reaches 75.1 percent and the molar selectivity of the acrylic acid and butyl ester reaches 71.5 percent. The preparation method has the advantages that the crystal structure of the main catalyst can be improved so as to be beneficial for carrying out the reaction; and the introduction of different auxiliary catalysts and quantities is helpful to improve the conversion ratio of the raw material and the product selectivity and is beneficial for improving the strength of the catalyst.
Owner:溧阳常大技术转移中心有限公司

Reinforced chlorination purification method for high-purity quartz sand

The invention discloses a high-purity quartz sand reinforced chlorination purification method, and belongs to the technical field of inorganic non-metallic material processing. The method comprises the following steps: putting a quartz sand raw material containing crystal structure impurities into a roasting furnace, and synchronously introducing a gas chlorinating agent and a gas reducing agent into the roasting furnace for roasting to obtain purified quartz sand. According to the method, on the basis of conventional chloridizing roasting purification, a gas reducing agent is introduced to regulate and control the reaction atmosphere, efficient dissociation and chlorination of crystal structure impurities difficult to remove are promoted, and deep efficient purification of quartz sand is achieved. The method has the advantages of simple process equipment, high raw material applicability, high impurity removal efficiency and the like, and can be widely applied to production of 4N5-grade and above high-purity quartz sand.
Owner:CENT SOUTH UNIV

Piezoelectric device and preparation method thereof

The invention provides a piezoelectric device and a preparation method thereof. The piezoelectric device comprises a substrate material layer; the single crystal seed layer is arranged on the substrate material layer, and the single crystal seed layer is made of a six-membered ring structure carbon material; the electrode layer is arranged on the single crystal seed layer; and the single crystal piezoelectric film is arranged on the electrode layer. According to the preparation method of the piezoelectric device, the cost is lower, the material price is lower, the film deposition efficiency is higher, and the crystal structure of the single crystal piezoelectric film is more stable.
Owner:HUAWEI TECH CO LTD

Rock debris lithology analysis method based on multi-level fusion image algorithm and X-ray diffraction

The invention discloses a rock debris lithology analysis method based on a multilevel fusion image algorithm and X-ray diffraction. The method comprises the following steps: S1, acquiring rock debris image data under different resolutions; s2, generating a multi-level rock debris image feature matrix; s3, preliminarily generating a lithology classification result; s4, generating supplementary data of X-ray diffraction analysis; s5, fusing the supplementary data of the lithology analysis and the preliminarily generated lithology classification result, and finally generating a comprehensive lithology classification result; s6, the comprehensive lithology classification result is input into a dynamic adaptive analysis system, the dynamic adaptive analysis system adaptively adjusts an analysis strategy according to the rock debris sample complexity, and parameters of a dual-path convolutional neural network model and a multi-modal analysis algorithm are optimized through a real-time feedback and learning mechanism; and S7, outputting an analysis report containing mineral distribution, crystal structure and comprehensive lithology classification results. The classification accuracy of different types of rock debris samples is improved by about 15%.
Owner:XI'AN PETROLEUM UNIVERSITY

Method for predicting bonding performance of high-nitrogen steel / titanium interface

The invention provides a method for predicting the bonding performance of a high-nitrogen steel / titanium interface, and the method comprises the steps: constructing a titanium crystal structure model, a titanium-based brazing filler metal crystal structure model corresponding to titanium-based brazing filler metal, and a high-nitrogen steel crystal structure model, constructing a titanium-titanium-based brazing filler metal-high-nitrogen steel interface composite model on the basis of a titanium crystal structure model according to a titanium crystal cell crystal face obtained through segmentation in a corresponding first segmentation mode, and carrying out atom replacement on atoms of the titanium-titanium-based brazing filler metal-high-nitrogen steel interface composite model for multiple times to obtain the titanium-titanium-based brazing filler metal-high-nitrogen steel interface composite model. The titanium-titanium-based brazing filler metal-high-nitrogen steel interface composite models are subjected to atom replacement, multiple different titanium-titanium-based brazing filler metal-high-nitrogen steel interface composite models obtained after atom replacement are obtained, the titanium-titanium-based brazing filler metal-high-nitrogen steel interface composite models obtained before and after atom replacement are subjected to multi-dimensional bonding performance evaluation, and multi-dimensional bonding performance parameter indexes are obtained; and a target titanium-titanium-based brazing filler metal-high nitrogen steel interface composite model meeting the target requirement is determined, and the titanium-based brazing filler metal corresponding to the target titanium-titanium-based brazing filler metal-high nitrogen steel interface composite model is determined as the target titanium-based brazing filler metal.
Owner:NORTH CHINA UNIV OF WATER RESOURCES & ELECTRIC POWER +2

Multi-dimensional adsorbent performance evaluation method

The invention provides a multi-dimensional adsorbent performance evaluation method, and belongs to the technical field of performance evaluation, and the method comprises the following steps: carrying out a first test on an adsorbent, recording the mass change of the adsorbent after each cycle, and evaluating the adsorption performance of the adsorbent to obtain a first test result; and carrying out a second test on the adsorbent to determine the anti-sintering capability and the cycling stability of the adsorbent so as to obtain a second test result. Microscopic form change, influence condition and crystal structure of the adsorbent before and after the test are observed, and microscopic characterization of the adsorbent is obtained. And performing multi-scale simulation on the adsorbent according to the microscopic representation, and performing life cycle evaluation on the adsorbent by using a simulation result to obtain a life cycle evaluation result. And an optimization direction is provided for comprehensive performance evaluation of the adsorbent. The invention aims to realize an efficient and low-cost carbon capture technology and promote effective utilization of solid waste resources, and provides a systematic evaluation method to promote the development of the carbon capture technology.
Owner:이너 몽골리아 일렉트릭 파워 그룹 컴퍼니 리미티드 이너 몽골리아 일렉트릭 파워 리서치 인스티튜트 브랜치

Czochralski method crystal growth device and regulation and control method

The embodiment of the invention provides a Czochralski method crystal growth device and a regulation and control method, and relates to the technical field of crystal growth. The Czochralski method crystal growth device comprises a furnace body, a crucible, a first magnetic field device, a seed rod and a second magnetic field device, the crucible is arranged in the furnace body, and the first magnetic field device is arranged on the outer side of the crucible in a surrounding mode and located in the furnace body. The seed rod is arranged in the furnace body and is spaced from the crucible; the second magnetic field device is arranged on the seed crystal rod and is positioned in the furnace body; wherein the first magnetic field device is used for generating a magnetic field and acting on a melt in the crucible; the second magnetic field device is used for generating a magnetic field and acting on a growth interface of the melt. The Czochralski method crystal growth device can effectively inhibit convection of melt, so that solute distribution is uniform, and crystal defects are reduced; and the crystal structure can be optimized, and accurate regulation and control of solute are realized, so that the quality and the performance of the crystal are integrally improved.
Owner:SOLOMON (CHANGZHOU) ALLOY NEW MATERIAL CO LTD +1

Copper alloy material with ultrahigh strength and high conductivity and preparation method thereof

ActiveCN119710361ACrystal structureIngot
The invention discloses a copper alloy material with ultrahigh strength and high conductivity and a preparation method thereof. The copper alloy material comprises, by mass, 5%-13% of Ni, 6%-14% of Sn, 40%-70% of Sn (Ni + Sn), 0.01%-0.5% of M and the balance Cu, and M is selected from at least one of In, Al, Cr, V, Mn and Fe. The preparation process comprises the following steps: carrying out multi-stage homogenization treatment on a cast ingot of a columnar crystal structure containing the components, carrying out cyclic'processing-current treatment 'on the homogenized cast ingot to obtain an ultra-fine crystal structure, and then carrying out processing-aging treatment to obtain the ultra-fine crystal structure. The copper alloy material provided by the invention not only has ultrahigh hardness and tensile strength, but also has good conductivity.
Owner:CENT SOUTH UNIV

Leaching agent for removing thallium and beryllium in lithium slag and application

The invention provides a leaching agent for removing thallium and beryllium in lithium slag and application. The leaching agent comprises a first leaching agent and a second leaching agent. The first leaching agent is an organic acid solution, and organic acid comprises carboxyl and at least one group of hydroxyl, sulfydryl, carbonyl and sulfonic acid group; the organic acid is single organic acid or mixed organic acid; the second leaching agent comprises a cationic agent and a reducing agent, the cationic agent can form at least one of K < + >, NH4 < + >, Mg < 2 + >, Na < + > and Fe < 3 + > in an aqueous solution, and the reducing agent comprises an inorganic reducing agent and / or an organic reducing agent. Organic acid in the first leaching agent can destroy the crystal structure of the lithium slag, and meanwhile groups such as carboxyl and hydroxyl can be complexed with thallium and beryllium ions so that the thallium and beryllium ions can be dissolved out more easily. On the basis, cations in the second leaching agent and the reducing solution accelerate the release of thallium and beryllium through ion exchange and reduction effects. The leaching agent can remove thallium and beryllium in the lithium slag at the same time, and the removal rate of thallium and beryllium is high.
Owner:CENT SOUTH UNIV

Marine source microbacterium laminae CJB-Jou02 strain and application thereof

ActiveCN119351247ABacteriaPlastic recyclingExiguobacteriumBacilli
The invention relates to a marine-source microbacterium laminae CJB-Jou02 strain capable of efficiently biodegrading PE (polyethylene) microplastics, and the degradation capability of the marine-source microbacterium laminae CJB-Jou02 strain is evaluated. According to the microbacterium capable of degrading the PE micro-plastic leaves, the microbacterium is screened out from a marine mud sample, the preservation number of the strain is CGMCC 29643, the strain treats high-density PE micro-plastic for 30 days, the weight loss rate reaches up to 16.6 + / -0.46%, and the microbacterium can be used for degrading the PE micro-plastic leaves. Based on test results of a scanning electron microscope, a Fourier transform infrared spectrum, a water contact angle instrument and an X-ray diffractometer, the strain is proved to have the capability of efficiently biodegrading the PE micro-plastic, the compact crystal structure of the PE micro-plastic is damaged, the particle diameter is obviously reduced, and the hydrophilicity is increased. Meanwhile, the invention also finds that the microbacterium leaf strain CJB-Jou02 has certain degradation capacity on PE (polyethylene) membranes and microplastic bacteria such as PA (polyamide), PP (polypropylene), PS (polystyrene), PET (polyethylene terephthalate) and the like, and a new solution is provided for solving the problem of environmental pollution of PE microplastics.
Owner:JIANGSU OCEAN UNIV

Oxide composite positive electrode material coated with borate in situ, preparation method, and use

An oxide composite positive electrode material coated with borate in situ, includes γAxByOz—NaaLibNicCudMneMfO2+β. In the material, Li, Ni, Cu, Mn, and element M for doping and substituting a transition metal site together occupy the position of transition metal ions in the crystal structure. The space group of the layered oxide composite positive electrode material is P63 / mmc or P63 / mcm or R3m, or the corresponding structure is a P2 phase or an O3 phase. AxByOz is a coating layer that has a needle-like structure and is generated in situ on the surface of NaaLibNicCudMneMfO2+β, being formed by, during a sintering process, coating a material precursor and a layered oxide precursor for generating NaaLibNicCudMneMfO2+β; γ is the mass fraction of the coating material precursor in the layered oxide precursor, 0.1 wt %≤γ≤10 wt %; and A is Li and / or Na.
Owner:INSTITUTE OF PHYSICS CHINESE ACADEMY OF SCIENCES

Superfine tungsten powder and preparation method thereof

ActiveCN120228281ATungstateArgon atmosphere
The invention belongs to the technical field of superfine tungsten powder, and particularly relates to superfine tungsten powder and a preparation method thereof.The preparation method includes the steps that an ammonium tungstate solution, hydrochloric acid and carbon black serve as raw materials to prepare a mixture of tungstic acid and a carbon precursor; calcining the tungstic acid and carbon precursor mixture in a nitrogen atmosphere to obtain a tungsten oxide and carbon mixture; a tungsten oxide and carbon mixture is calcined in an argon atmosphere, the argon atmosphere is kept for natural cooling, the superfine tungsten powder is obtained, the superfine tungsten powder is uniform in dispersion, complete in grain development, smooth in surface, free of pores and complex in morphology, the crystal structure of the superfine tungsten powder is a body-centered cube, the average particle size is smaller than or equal to 0.7 micrometer, and the specific surface area is smaller than or equal to 1.0 m < 2 > / g.
Owner:CHONGYI ZHANGYUAN TUNGSTEN

Solid electrolyte material screening method based on physical constraint graph attention network

The invention provides a solid electrolyte material screening method based on a physical constraint diagram attention network, and the method comprises the steps: calculating an ionic conductivity parameter corresponding to a solid electrolyte material through dynamic Monte Carlo simulation, and constructing an initial data set containing a mapping relation between a crystal structure and ionic conductivity; constructing a physical constraint graph attention network prediction model; performing iterative training and hyper-parameter adjustment on the physical constraint graph attention network prediction model by adopting the initial data set based on cross validation and Bayesian optimization to obtain an optimal physical constraint graph attention network prediction model; a novel crystal structure is generated through a generative large language model, and a candidate material data set is constructed; and taking the candidate material data set as input, utilizing the optimal physical constraint diagram attention network prediction model to predict the ionic conductivity of the material, and screening to obtain the solid electrolyte material with high ionic conductivity. The method breaks through the inherent mode that a traditional prediction method is limited to known materials, the material exploration space is greatly expanded, and development of solid electrolyte key materials is accelerated.
Owner:INSTITUTE OF PROCESS ENGINEERING CHINESE ACADEMY OF SCIENCES +1

Supported IrOx catalyst as well as preparation method and application thereof

The invention provides a supported IrOx catalyst as well as a preparation method and application thereof. The supported IrOx catalyst comprises an oxide carrier and an active component supported on the carrier, the active component comprises an Ir elementary substance and amorphous IrOx coated on the surface of the Ir elementary substance; and the crystal structure of the IrOx is long-range disordered and short-range ordered. The preparation method of the supported IrOx catalyst is convenient to implement, high in reproducibility and beneficial to industrial preparation and production, gram-level batch preparation can be achieved under the laboratory condition, and possibility is provided for large-scale preparation of the low-cost, high-activity and high-stability proton exchange membrane water electrolysis hydrogen production anode catalyst.
Owner:CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY CHINESE ACADEMY OF SCIENCES

Bulk acoustic wave (BAW) device with oppositely polarized piezoelectric layer for higher order resonance and method of manufacture

A bulk acoustic wave (BAW) device includes a layer stack (102) including a first electrode (104A) and a second electrode (104B), a first piezoelectric layer (106A) between the electrodes, and a second piezoelectric layer (106B) between the first piezoelectric layer and the second electrode. The polarization (P2) of the crystal structure of the second piezoelectric layer is opposite the polarization (P1) of the crystal structure of the first piezoelectric layer to achieve a higher order resonant frequency in the BAW device by reducing only the layers in the stack of thin layers. In some examples, the BAW device is a two-terminal device and does not include a metal layer configured as a third electrode. In some examples, the BAW device includes at least one intermediate layer (120, 122, 124) between the first and second piezoelectric layers, and the total combined thickness of the at least one intermediate layer is less than 4% of the total thickness of the layer stack.
Owner:RF360 SINGAPORE PTE LTD

Multi-element microalloyed high-strength corrosion-resistant magnesium alloy bar and preparation method thereof

The invention relates to the technical field of magnesium alloys, and particularly discloses a multi-element microalloying high-strength corrosion-resistant magnesium alloy bar and a preparation method thereof. The multi-element microalloying high-strength corrosion-resistant magnesium alloy bar comprises the following chemical components in percentage by mass: 6-7% of Al, 0.1-0.15% of La, 0.1-0.15% of Ca, 0.1-0.15% of Y and the balance of Mg and inevitable impurities, the magnesium alloy bar is of a multi-phase structure, a magnesium matrix is of a close-packed hexagonal crystal structure, and the multi-element microalloying high-strength corrosion-resistant magnesium alloy bar is obtained through extrusion and bar rotary swaging deformation process treatment. The multi-element microalloyed high-strength corrosion-resistant magnesium alloy bar prepared by the invention has the advantages of high strength and corrosion resistance.
Owner:SHANGHAI JIAOTONG UNIV

X-ray sources

An X-ray generator is presented comprising: an electron source generating an accelerated electron beam propagating along a first propagation path with a first general propagation direction; a first crystalline structure located in the first propagation path, and defining a first crystal plane oriented at a predetermined non-zero angle with the first propagation path, and configured to transmit the electron beam therethrough and generate parametric x-ray (PXR) emission being first directional emission along a second propagation path tilted with respect to the first general propagation direction; and a second crystalline structure located in the second propagation path and configured as a monochromator with respect to the PXR emission, and defining a second crystal plane oriented at the predetermined non-zero angle with respect to the second propagation path to thereby provide second directionality for the PXR emission.
Owner:TECHNION RES & DEV FOUND LTD

High-strength and high-conductivity copper alloy with fine grain structure and preparation method of high-strength and high-conductivity copper alloy

The invention provides a high-strength and high-conductivity copper alloy with a fine grain structure and a preparation method of the high-strength and high-conductivity copper alloy, and belongs to the technical field of copper alloy preparation. The copper alloy comprises the following elements in percentage by mass: 2.0-12.0 wt.% of Ni, 0.4-3.0 wt.% of Si, less than or equal to 1.0 wt.% of Zn, less than or equal to 5.0 wt.% of Ti, less than or equal to 1.0 wt.% of B and the balance of Cu and inevitable impurities. According to the method, the heat treatment process is adjusted, generation of Ni16Ti6Si7 and TiB2 phases is promoted through introduction of Ti and B elements, micron-sized particles can serve as nucleation sites and pinning grain boundaries in the heat deformation process, and grain refinement is promoted. The high-strength and high-conductivity copper alloy with a fine grain structure is obtained by changing the content of Ti and B elements in the copper alloy and regulating and controlling the proportion of Ni16Ti6Si7, a TiB2 micron phase and a Ni2Si nano phase.
Owner:NORTH CHINA ELECTRIC POWER UNIV +1

Method for preparing congruent-axis-structure refractory medium-entropy alloy by regulating and controlling liquid bridge transition mode in double-wire additive manufacturing process and application of congruent-axis-structure refractory medium-entropy alloy

The invention discloses a method for preparing a congruent-axis structure refractory medium-entropy alloy by regulating and controlling a liquid bridge transition mode in a double-wire additive manufacturing process and an application of the congruent-axis structure refractory medium-entropy alloy. The invention belongs to the technical field of additive manufacturing. The invention aims to solve the technical problems that liquid bridge transition in the whole process cannot be realized and columnar crystals are extremely easy to form in the process of preparing the refractory medium / high-entropy alloy by adopting an electron beam double-wire additive manufacturing process at present. The method comprises the following steps: firstly, carrying out three-dimensional modeling on a target component, and carrying out slicing treatment; then liquid bridge transition is controlled by regulating and controlling a double-wire feeding strategy; and finally carrying out 3D printing. A double-wire deposition strategy and a control method thereof are adopted, the relative position of the wire and the electron beam, the relative position between the double wires and the relative position of the melting position of the double wires and the melting pool are adjusted, heat input is controlled, stable liquid bridge transition of the double wires under the condition of the constant speed or the non-constant speed is guaranteed, and the welding quality is improved. And thus, the stability of the deposition process and the congruent-equiaxed crystal structure and excellent mechanical property of a deposited part are improved.
Owner:HARBIN INST OF TECH

Cathode active material and preparation method therefor

The present invention relates to a cathode active material capable of improving the performance and stability of a lithium-rich manganese-based oxide, thereby improving the performance of a battery comprising same, and, to a cathode active material and a preparation method therefor, the material comprising: a core part comprising a lithium-rich manganese-based oxide of a layered structure that includes both a Li2MnO3 phase and a LiMO2 (here, M is at least one element selected from among Ni, Co and Mn) phase; a first layer which is continuously formed on the core part and which has a crystal structure belonging to the R-3m space group; and a second layer which is continuously formed on the first layer and which has a rock-salt crystal structure belonging to the Fm-3m space group.
Owner:LG CHEM LTD

Low-oxygen high-strength TZM alloy material and preparation method thereof

ActiveCN119753469ACrystal structureAlloy
The invention provides a low-oxygen high-strength TZM alloy material and a preparation method thereof. According to the low-oxygen high-strength TZM alloy material, the crystal grains are of an isometric crystal structure, random orientation is achieved, all-directional performance is consistent, and the average crystal grain size ranges from 25 micrometers to 35 micrometers. The TZM alloy material has the advantages of being high in density, low in oxygen content, high in strength, high in heat dissipation capacity, good in thermal shock resistance and the like.
Owner:HEFEI UNIV OF TECH +1

Modified doped lithium phosphorus sulfur chlorine solid electrolyte as well as preparation method and application thereof

The invention provides a modified doped lithium phosphorus sulfur chlorine solid electrolyte as well as a preparation method and application thereof, and belongs to the technical field of solid electrolytes. The Al and Cl double-doping mode can improve the mixing proportion of ions in lattices of Li6PS5Cl and expand ion channels, so that the ionic conductivity of the Li6PS5Cl system electrolyte and the stability to lithium are improved, and the ionic conductivity of the prepared modified doped lithium phosphorus sulfur chlorine solid electrolyte is larger than 3 mS / cm. The modified lithium-phosphorus-sulfur-chlorine-doped solid electrolyte provided by the invention is grey white powder in appearance, is uniform and free of foreign matters, and shows an argyrodite type, and the space group of a crystal structure is F43m. The preparation method of the modified doped lithium-phosphorus-sulfur-chlorine solid electrolyte is simple, the precursor can be obtained only by performing ball milling for 8 hours, rare and scattered noble metals are not used, and the production cost is reduced.
Owner:GANFENG LITHIUM CO LTD

Positive electrode material, preparation method thereof, positive electrode plate and sodium ion battery

The invention provides a positive electrode material, a preparation method thereof, a positive electrode plate and a sodium ion battery. The positive electrode material comprises composite particles, the molecular formula of the composite particles is NaxFey (PO4) n (P2O7) m, x ranges from 4.2 to 4.5, y ranges from 3.2 to 3.5, n ranges from 2.2 to 2.5, and m ranges from 0.9 to 1.1; the composite particles comprise olivine type phosphate and polyanionic phosphate coating the surface of the olivine type phosphate, and the molar ratio of the olivine type phosphate to the polyanionic phosphate is (0.2-0.5): 1. By optimizing the molar ratio of olivine type phosphate to polyanion type phosphate in the iron-based composite phosphate material and designing the microstructure of the composite particles formed by the olivine type phosphate and the polyanion type phosphate, nanocrystallization and two-phase interface permeation on a crystal structure are realized, so that the capacity of the positive electrode material is remarkably improved.
Owner:HUBEI WANRUN NEW ENERGY TECH CO LTD

Interface structure characterization method and system, electronic device, and storage medium

An interface structure characterization method, comprising: constructing a solid-liquid equilibrium system; acquiring interfacial atomic number density distribution of the solid-liquid equilibrium system; and acquiring interface layers on the basis of the interfacial atomic number density distribution. Compared with previous qualitative characterization methods, characterization parameters of interface structure changes are developed on the basis of computation results of radial distribution functions in interface layers, and the parameters can quantitatively characterize the change characteristics of the interface structure, avoiding the situation where the interface structure can only be qualitatively characterized; the present application can be used for quantitatively characterizing interface structures, can characterize differences in interface structures caused by lattice periodic fields when crystals of different orientations come into contact with melts, structural adjustments needed from melts to crystal melts, and change processes from melts to crystal structures (sudden or gradual changes).
Owner:SHENZHEN INST OF ADVANCED TECH CHINESE ACAD OF SCI

Lithium iron phosphate positive electrode material, preparation method thereof and lithium ion battery

The invention discloses a lithium iron phosphate positive electrode material, a preparation method thereof and a lithium ion battery, and relates to the technical field of positive electrode materials. The lithium iron phosphate positive electrode material comprises a matrix and a carbon coating layer coated on the surface of the matrix, the crystal structure factor A of the lithium iron phosphate positive electrode material meets 4.600 # imgabs0 #-4 < = A < = 9.500 # imgabs1 #-4, and the calculation formula of the crystal structure factor A is A = # imgabs2 #; wherein C is the crystallinity of the crystal; v refers to unit cell volume; # imgabs3 is the grain size of the crystal face # imgabs4 #, and the value meets the condition that # imgabs6 # is larger than or equal to 4 # imgabs5 # and smaller than or equal to 9 # imgabs7 #. The lithium iron phosphate positive electrode material in the range has excellent low-temperature electrochemical performance.
Owner:GUANGDONG BRUNP RECYCLING TECH CO LTD

Modeling and calculating method for crystalline rock with bedding structure based on Neper-DEM (Digital Elevation Model)

ActiveCN119560074Aimplement the buildSolve generation difficultiesDesign optimisation/simulationComputational materials scienceRock sampleTransverse isotropy
The invention discloses a Neper-DEM-based apparent crystal rock modeling and calculation method with a bedding structure, relates to the field of numerical calculation of a tunnel engineering technology, and solves the problem that a simulation and calculation method for apparent crystal rocks with transverse isotropy such as gneiss and granite gneiss is lacked in the prior art. The method comprises the following steps: constructing a polycrystal structure with crystal characteristics in Neper, and generating a geometric parameter text of crystal grains from the polycrystal structure; constructing a discrete element rock sample model in the DEM; performing a numerical simulation test on the discrete element rock sample model to obtain a stress-strain curve and a sample failure mode, wherein the numerical simulation is realized by adopting a Brazilian splitting test and a triaxial test; according to a numerical simulation result, discrete element sample calculation parameters are calibrated, and the effectiveness of the modeling and calculation method of the discrete element rock sample model is verified; according to the modeling method, construction and assignment of the crystal structure and the bedding structure are achieved at the same time, so that the rock structure is closer to a real rock structure.
Owner:SOUTHWEST JIAOTONG UNIV +1

Reverse design method applied to solid electrolyte material

The invention discloses a reverse design method applied to a solid electrolyte material. The method comprises the following steps: firstly, constructing an inorganic solid electrolyte material field knowledge base; generating a chemical formula conforming to physical and chemical rationality through a chemical formula generator based on guidance of a domain knowledge base; based on the generated chemical formula, further utilizing a large language model to generate a candidate crystal structure information file, and performing optimization in combination with a Monte Carlo tree search method; in the optimization process, in order to evaluate the performance of the generated candidate crystal structure, a graph neural network model driven by domain knowledge is cooperated to carry out multi-target performance prediction, a prediction result is used as reward feedback, and then the generation quality of the candidate crystal structure is optimized; and finally, by taking activation energy and convex hull energy as indexes, screening out a potential novel inorganic solid electrolyte material meeting performance requirements. The development efficiency of the inorganic solid electrolyte material is improved.
Owner:SHANGHAI UNIV

Independent regulation and control method of photonic crystal double-band high-Q resonance mode and resonant cavity

The invention discloses an independent regulation and control method for a photonic crystal double-band high-Q resonance mode and a resonant cavity, and the method comprises the steps: designing an initial resonant cavity which is a photonic crystal structure which is periodically arranged and has high rotational symmetry, respectively calculating quality factors under all modes on two high-symmetry points of a first unit cell of the minimum repeatable unit, and screening out BIC modes with infinite quality factors; optimizing the parameters of the first unit cells, so that the BIC modes of the two high-symmetry points are located at the required frequency; a first disturbance variable quantity is added into a first unit cell, and only the rotational symmetry is reduced, so that the BIC mode of the center point of the Brillouin region is adjusted to be a quasi-radiation mode; and adding a second disturbance variable quantity, and only folding the other high-symmetry point to the center of the Brillouin region so as to adjust the BIC mode of the other high-symmetry point into a quasi-radiation mode. According to the invention, one variable is regulated and controlled to only influence the quality factor of one resonance but not influence the performance of the other resonance.
Owner:WUHAN INST OF QUANTUM TECH

Crystalline sulfide solid electrolyte and method for producing same

Provided are: a crystalline sulfide solid electrolyte, which has an improved ionic conductivity while adopting a liquid phase method, contains predetermined atoms, has a diffraction peak in X-ray diffractometry using a predetermined CuKα ray, and has a thio-LISICON Region II-type crystal structure as a basic structure; and a method for producing a crystalline sulfide solid electrolyte, the method including mixing using predetermined complexing agents and an instant drying step.
Owner:IDEMITSU KOSAN CO LTD

Hydrated compound and preparation method thereof

The invention provides a hydrated compound and a preparation method thereof, and relates to the technical field of compound preparation. The hydrated compound is rupatinifen fumarate monohydrate and has a crystal structure. The preparation method of the hydrated compound comprises the following steps: adding rupatinifen fumarate into a reaction solvent at least containing a first organic solvent, heating, stirring and refluxing until the rupatinifen fumarate is completely dissolved, the concentration of the rupatinifen fumarate in a reaction system is not lower than 70% of the concentration of a saturated solution of the rupatinifen fumarate in the reaction system, and carrying out solid-liquid separation to obtain the hydrated compound. And continuously refluxing for 1 min to 24 h, cooling to the temperature not exceeding 8 DEG C, crystallizing, collecting crystals, washing and drying to obtain the product.
Owner:FUJIAN MINDONG REJUVENATION PHARMA CO LTD