24 results about "Valence electron" patented technology

The application discloses a high-strength and high-toughness as-cast multi-principal-element alloy and a preparation method thereof. The multi-principal-element alloy is composed of elements Al, Mo, Ta, Nb, Ti, Zr and Cr. Through steps of preparing materials, preparing a CrAl alloy and preparing the multi-principal-element alloy, the high-strength and high-toughness as-cast multi-principal-element alloy with components of Al 0.5 Mo 0.5 NbTa 0.5 TiZrCr x is finally prepared. The high-strength and high-toughness as-cast multi-principal-element alloy and the preparation method thereof improve the performance of the Al 0.5 Mo 0.5 NbTa 0.5 TiZr multi-principal-element alloy by adding Cr. Cr has the same body-centered cubic structure as the original alloy Al 0.5 Mo 0.5 NbTa 0.5 TiZr, and has the characteristics of smaller atomic radius and lower density compared with other constituent elements. Cr can be effectively solid-solved into the original multi-principal-element alloy lattice, reduces the valence electron concentration of the original system, thereby improving the strength, hardness and ultimate strain of the original system, reducing the density of the original system, realizing light weight, high strength and high toughness, and having a simple preparation process.

The invention belongs to the technical field of damping alloys, and particularly relates to an iron-containing damping alloy component design method based on entropy regulation and control. The invention discloses a design method of an iron-containing damping alloy based on entropy regulation and control. The design method comprises the following steps: selecting principal elements Fe, Cr, Mn, Co, Ni, Ti, Cu, Al, Mo and RE; the element molar content of Fe-Cr-Ni-X is used as a variable, X is one or more elements except Fe, Cr and Ni, the mixed entropy () and the valence electron concentration (VEC) of the alloy are calculated, and when R of the alloy is larger than or equal to 1.25, and VEC is larger than or equal to 7.15 and smaller than or equal to 7.95, the damping performance Q-1 of the alloy is larger than or equal to 0.02. According to the design method of the high-entropy damping alloy, the types and the content of elements in the alloy are adjusted according to the entropy value and the valence electron concentration of the alloy, and therefore the iron-containing high-entropy damping alloy with the high damping performance is obtained. And the component design efficiency of the iron-containing high-entropy damping alloy is improved, and the alloy development period is shortened.

A memory device and a manufacturing method thereof are provided. The memory device includes a magnetic tunneling junction (MTJ) and a spin Hall electrode (SHE). The MTJ includes a free layer, a reference layer and a barrier layer lying between the free layer and the reference layer. The SHE is in contact with the MTJ, and configured to convert a charge current to a spin current for programming the MTJ. The SHE is formed of an alloy comprising at least one heavy metal element and at least one light transition metal element. The heavy metal element is selected from metal elements with one or more valence electrons filling in 5d orbitals, and the light transition metal element is selected from transition metal elements with one or more valence electrons partially filling in 3d orbitals.

The embodiment of the invention discloses a physical embedded closed-loop high-entropy alloy laser additive manufacturing performance oriented intelligent design method. By constructing a high-entropy alloy mechanical property database, training a multi-algorithm collaborative integrated agent model and fusing thermodynamic and physical laws and a multi-target Bayesian optimization algorithm, combined reverse design of high-entropy alloy components and LDED process parameters is realized, the applicability, accuracy and robustness of performance prediction are improved, and the performance prediction efficiency is improved. The research and development period of new materials is shortened, and the test cost is reduced. By embedding physical constraints such as valence electron concentration, mixing enthalpy, mixing entropy, electronegativity difference and atomic size difference and comprehensively considering the influence of process factors such as laser power, scanning speed and powder feeding rate, an optimal Pareto component-process scheme is obtained under the support of finite element simulation closed-loop verification and an incremental learning mechanism; and the tensile strength and the yield strength of the high-entropy alloy under different conditions are accurately predicted and reflected.

The invention discloses a molecular system based on DNA nano-structure artificial atoms and a construction and regulation method, and belongs to the technical field of DNA nanotechnology. The construction method of the molecular system comprises the following steps: mixing DNA chains with extension chains, adding a TM buffer solution, and carrying out annealing reaction to synthesize a DNA nano-structure with extension chains; dNA nanostructures are used for representing artificial atoms, extended chains on the DNA nanostructures are used for representing valence electrons, double chains formed by interaction among the extended chains are used for representing chemical bonds, a plurality of DNA nanostructures with extended chains are mixed in proportion according to a target molecular configuration, and a molecular system is obtained through one-pot assembly. Dynamic dissociation and recombination of artificial atoms are achieved based on DNA strand displacement reaction, and accurate regulation and control of a programmable molecular system are achieved. The construction precision and regulation effectiveness of the molecular system are verified through various technologies, the system has the advantages of being high in programmability, high in assembly efficiency, good in structural controllability and the like, and a brand new technical platform is provided for the fields of material design, chemical process simulation, biological engineering and the like.

This application relates to the field of materials technology, specifically to a composite material, its preparation method, and its application. The composite material comprises organic molecules containing a conjugated structure and carbon materials containing π bonds, with the organic molecules loaded onto the surface of the carbon materials via non-covalent bonds. The carbon atoms in the composite material have four valence electrons, three of which are sp electrons. 2 One unbonded electron forms a π bond with a neighboring atom in a perpendicular direction. The π bond is in a half-filled state, which allows the π bond of the carbon material to interact with organic molecules with conjugated structures to form non-covalent C-H···π bonds. This enables organic molecules to be loaded onto the surface of the carbon material, greatly improving the catalytic activity of the composite material. It also gives the composite material good anti-agglomeration and stability, and makes the composite material easy to recycle after use.

A method for measuring a preferably static magnetic field is claimed, comprising the following steps in this order: i) Excitation of a valence electron of one or more alkali atoms (2) from a ground state to an initiation state in a manifold with principal quantum number n; ii) Application of a ½ control pulse to generate a superposition, preferably a uniformly distributed superposition, between the initiation state and a control state; iii) Application of a sequence of circulation pulses and one or more control pulses, preferably with specific time intervals, to shift the valence electron within the manifold of the initiation state; iv) Application of a further ½ control pulse for coherent mixing of the populations in the initiation state and control state; v) Measurement of the state of the valence electron, and preferably calculation of the magnetic field;

The invention discloses a layered niobium / vanadate-based low-voltage fast-charging negative electrode material, a composite material, a preparation method, application and a battery. The chemical general formula of the negative electrode material is An-aAaM 2.5-0.5 nQ3O10, n is more than or equal to 0.5 and less than 5, and a is more than 0 and less than or equal to n; a is non-lithium alkali metal, and A is alkali metal with the ion radius smaller than that of A; m is alkaline earth metal; q is one or more of transition metal with valence electron configuration of (n-1) d2-5ns1-2 and IVA group metal elements, Q must comprise Nb and / or V, and the atom number of Nb and / or V accounts for more than 50% of the sum of metal atoms in Q. The niobium / vanadate-based low-voltage fast-charging negative electrode material prepared by the invention has an intrinsic safe low-voltage platform and excellent high-rate performance and cycling stability, and the preparation method is simple and efficient and is easy to industrialize.

This invention discloses a design method and apparatus for refractory high-entropy alloys based on a large model, relating to the field of alloy material design technology. The method includes: First, by generating and collecting data, pre-trained surrogate models for thermodynamics (covering phase diagrams, solidification processes, etc.) and mechanical properties are constructed, and calculation models for physical parameters such as valence electron concentration and density are established. Then, these models are integrated into a single ensemble model, and a large language model is introduced as the core of intelligent scheduling. The large model is responsible for parsing the design task, intelligently planning and calling the interfaces of each model based on a knowledge base and rule base. Finally, based on the set design objectives, a multi-objective genetic algorithm is initiated for iterative optimization and adaptive adjustment, efficiently outputting a final alloy design scheme that meets multiple performance requirements. This invention enables intelligent multi-objective design of refractory high-entropy alloys, solving the problem of high dependence on manual intervention.

The invention relates to the technical field of novel metal materials, in particular to a novel light high-strength single-phase refractory high-entropy alloy based on machine learning design and a design and preparation method thereof, the alloy is composed of five elements of Cr, Mo, Ti, V and W, and the composition ranges (at.%) of the alloy are as follows: 5-25% of Cr, 5-15% of Mo, 25-35% of Ti, 20-35% of V and 5-20% of W. The invention further provides a design method of the single-phase refractory high-entropy alloy, according to the method, the yield strength of the single-phase refractory high-entropy alloy is predicted through a machine learning regression model, and the valence electron concentration and density are calculated through a mixing rule. And drawing a performance map based on the prediction data, and screening out a target component from the performance map for microstructure and mechanical property characterization. The as-cast structure of the high-entropy alloy provided by the invention is a single-phase BCC structure, and the high-entropy alloy has low density, high yield strength and good compression plasticity at room temperature.

The application discloses a kind of based on electronic density and distribution uniformity Fractal dimension calculation method and general detection device, belong to material microstructure characterization technical field.The method determines material chemical formula unit total price electron number, theoretical dense density and molar mass, detects actual density and calculates porosity;Collect surface topography gray data, calculate electronic distribution uniformity by normalized variance;Total price electron number density is calculated, combined with fitting proportion coefficient, and the fractal dimension is obtained by general formula.The detection device uses modular architecture, including basic parameter input, density detection, uniformity acquisition, main control calculation and result output module, each module can be independently replaced, and the main control module is built-in core algorithm.The application does not need large microscopes, realizes fast, low-cost detection, adapts to various solid materials, wide protection range, easy industrialization, solves the problems of high cost, complicated process, poor universality and easy to avoid in prior art.

The application discloses a multi-principal-element low-modulus Ti-Zr-based medium-entropy alloy and a preparation method thereof. 100‑ 10x Nb 4x Ta 4x Hf 2x Wherein, 1<=x<=4. The application is based on the synergistic effect between the TiZr alloy and the Hf, Nb and Ta alloys, the alloy molar ratio between the two is controlled, the mixed entropy and the valence electron concentration of the alloy are improved, the beta phase forming ability is enhanced, the elastic modulus of the alloy is reduced, and the ductility of the alloy is improved, so that the application scenarios of the alloy material are expanded.

The application provides a design and a preparation method of Ni3Al-based high-entropy aluminide with excellent strength-plasticity synergy, and relates to the technical field of component selection and preparation of advanced metal structural materials. The design needs to meet certain parameter criteria, which mainly include the enthalpy-entropy ratio based on a pseudo-binary sublattice model, atomic size difference: d0, electronegativity difference: Delta N, valence electron concentration deviation: Delta e, and total valence electron concentration: e0. Through component design, smelting and casting and cold deformation treatment, the controllable preparation of the Ni3Al-based high-entropy aluminide is realized, and the Ni3Al-based high-entropy aluminide has excellent performance, simple preparation process and low cost, and is suitable for large-scale industrial production.

The invention provides a method for predicting plasticity parameters of a titanium alloy and preparation of the titanium alloy based on high throughput screening, and the method for predicting the plasticity parameters of the titanium alloy comprises the following steps: obtaining the melting point and lattice constant of the corresponding titanium alloy according to the melting points and lattice constants of elements forming the titanium alloy; according to the valence electron concentration and the atomic number of the elements forming the titanium alloy, the valence electron concentration and the atomic number of the corresponding titanium alloy are obtained; the melting point and the lattice constant of the corresponding titanium alloy are processed through a Curtin theoretical model, and the theoretical surface energy of the corresponding titanium alloy is obtained; and processing the theoretical surface energy of the corresponding titanium alloy and the valence electron concentration and atomic number of the corresponding titanium alloy through the DM theoretical model to obtain the plasticity parameters of the corresponding titanium alloy. By means of the method, the problems that existing empirical parameter evaluation material plasticity is high in cost and low in accuracy can be solved, and development of alloy with excellent performance is accelerated by constructing a theoretical framework.

Titanium-based alloys exhibiting improved mechanical properties. The present invention relates to a titanium-based alloy in which one or more alloying elements are present, the alloy satisfying the following conditions: - 10 ≤ MOeq ≤ 14.5, - 2.77 < Bo < 2.80, and - 2.34 eV < Md < 2.38 eV, where Moeq denotes the mass content of beta-stabilizing elements in the alloy in molybdenum equivalent, where ei denotes the number of valence electrons of alloying element i, ai denotes the atomic radius of alloying element i, and xi denotes the mole fraction of alloying element i in the alloy, the sum being performed over all the alloying elements present in the alloy, Bo denotes the average bond order of the covalent bonds between titanium and the alloying elements, and Md denotes the average energy level in eV of the d orbitals corresponding to the covalent bonds between titanium and the addition elements.

The invention discloses a method for preparing an oxygen evolution reaction (OER) catalyst from polyionic liquid and application. The method comprises the following steps: (1) dissolving one or more metal salts in a solvent, adding a certain amount of polyion liquid as a stabilizer, and preparing metal nanoparticles through solvothermal or strong reducing agent reduction; and (2) calcining the obtained metal nanoparticles at high temperature to obtain the OER catalyst. The polyion liquid plays a role in inhibiting aggregation of the nano-particles in the preparation process, so that the metal nano-particles with superfine particle size and larger specific surface area are obtained, and exposed active sites are increased. Besides, by doping different transition metals and adjusting valence electron structures of active sites, adsorption of oxygen-containing intermediates is enhanced, lattice oxygen activity is inhibited, and further OER activity and stability of the catalyst are improved. Compared with the prior art, the OER catalyst prepared by the method disclosed by the invention has the advantages of low precious metal consumption, high catalytic activity and good stability.

This invention relates to the field of two-dimensional materials, and particularly to a method for preparing a two-dimensional material with interlayer vertical electrical transport channels. The steps are as follows: creating a supersaturated environment for the first intrinsic principal atoms in a gaseous state, while simultaneously placing the second intrinsic principal atoms in an unsaturated state; introducing a vertical p-type electrical transport channel into the gas flow path. z The doping source of the valence electron orbital replaces the unsaturated second intrinsic principal atom, and the doping source interacts with the p-type of the saturated first intrinsic principal atom. z The orbitals undergo strong coupling hybridization, activating the p-axis of the saturated first intrinsic principal atom. z The vertical extension of the track forms an interlayer vertical electrical transport channel. This invention features a simple process, good compatibility with current micro / nano fabrication technologies, high yield, excellent film quality, and stable vertical conductive channels at room temperature. It also offers strong reusability and can expand the application of two-dimensional materials, especially two-dimensional semiconductor materials, in novel vertical structure electronic devices.

The invention relates to the technical field of alloy materials, in particular to a high-strength alloy material with {001} betalt; 110gt, 110gt; the invention discloses a beta-texture hyperelastic titanium-zirconium-niobium-tin alloy and a preparation method thereof. The superelastic titanium-zirconium-niobium-tin alloy takes titanium as a matrix and comprises 15%-50% of Zr, 7%-15% of Nb and 0.5%-6% of Sn, the valence electron concentration e / a is 4.0-4.15, the grain size is larger than or equal to 50 microns, and the superelastic titanium-zirconium-niobium-tin alloy is of a single beta-phase structure at the room temperature and has {001} beta lt; 110gt, 110gt; the beta recrystallization texture is prepared through vacuum melting, homogenization treatment, cold rolling deformation and annealing treatment; wherein the total rolling reduction of cold rolling ranges from 97% to 98.5%, and the annealing temperature ranges from 950 DEG C to 1100 DEG C. The superelastic titanium-zirconium-niobium-tin alloy is free of nickel toxicity and excellent in biocompatibility, the density of the superelastic titanium-zirconium-niobium-tin alloy is lower than that of a NiTi-based shape memory alloy, the problems that an existing nickel-free titanium-based alloy is low in superelastic recoverable strain and difficult to stabilize in performance are solved, and the superelastic titanium-zirconium-niobium-tin alloy is suitable for the high-end fields of biomedical treatment, aerospace and the like.

The present application relates to the technical field of high polymer material, and particularly relates to a polyimide, a polyimide film and a laminate, a preparation method of the polyimide, and a flexible copper clad plate. The polyimide comprises residues of a dianhydride and residues of a diamine in a structural unit; wherein the diamine comprises a substituted or unsubstituted biphenyl diamine shown in formula (1), and the biphenyl diamine accounts for 80% to 100% of the total mass of the diamine; in the formula, R1-R8 are independently hydrogen atoms, fluorine atoms, trifluoromethyl groups, chlorine atoms or trichloromethyl groups, and at least one of R1-R8 is not a hydrogen atom; and the dianhydride is selected from one or more of 3,3',4,4'-biphenyl tetracarboxylic dianhydride, pyromellitic dianhydride and hexafluoro dianhydride. The polyimide provided by the present application increases the number of unsaturated conjugate bonds, introduces electron-withdrawing groups, and makes the valence electrons jump between different energy levels to form purple color. Formula (1).

The invention belongs to the technical field of electrode active materials, and particularly relates to a battery positive electrode material, an aqueous zinc ion battery and a preparation method. Through in-situ uniform doping of the cobalt element, Co < 2 + > enters a MnCO3 crystal structure in a lattice site substitution manner, and the electron delocalization in a lattice can be enhanced by additional two valence electrons, so that an electron transition energy barrier is reduced by about 0.3 eV, and finally, the conductivity is improved by 1-2 orders of magnitude. The improvement of the conductivity directly accelerates the charge transfer rate of the electrode and the electrolyte interface, and effectively inhibits the polarization phenomenon under high current density. Besides, the doping of cobalt can reduce the dissolution trend of Mn < 2 + >, and the performance test shows that the capacity retention ratio of the material is almost 100% after 100 cycles at the medium-high current density of 1A g <-1 > under the preferable condition, and the capacity retention ratio still reaches 95.6% after 200 cycles.

This invention relates to a ZrNbMo-based multi-principal element alloy possessing both high strength and high ductility, and its preparation method, belonging to the field of alloy technology. The atomic percentage expression of the alloy is Zr a Nb b Mo c M d M is W, Ta, Fe, Co, or Cr, 40≤a<85, 10≤b≤30, 0<c<19, 0<d≤10, a>b≥c, and a+b+c+d=100; the alloy has a valence electron concentration of 4.1~4.7 and an average atomic mismatch of 0.027~0.072; the alloy is prepared by melting, homogenization, and short-time aging treatment, and is a single-phase BCC solid solution with a short-range ordered Nb-Mo / M structure in the alloy matrix. This invention combines a stable unidirectional structure with high valence electron concentration, shear modulus mismatch strengthening, atomic size suppression of precipitates, and specific heat treatment to achieve a synergistic improvement in the strength and plasticity of the alloy.

The invention relates to a theoretical prediction model and prediction method for gaseous formation enthalpy of organic compounds, which are characterized in that valence layer electron energy of molecules is calculated through various semi-empirical methods, a one-dimensional vector is formed by utilizing the valence layer electron energy of the molecules, and the gaseous formation enthalpy of a monomolecular structure is rapidly predicted in combination with other common chemical descriptors. Through verification, the method is not limited by molecular compound types, is relatively good in universality, has important significance in description, research and prediction of thermodynamic properties of molecules, and can guide design and synthesis of more organic compound molecules with high energy density. According to the method, the average absolute prediction error of the gaseous formation enthalpy of various energetic molecules is 8.5 kJ / mol based on a machine learning prediction model established on the basis of a relatively small sample data set.

The invention provides a design and preparation method of an excellent strong-plasticity synergistic Ni3Al-based high-entropy aluminide, and relates to the technical field of component selection and preparation of advanced metal structure materials. The design needs to meet a certain parameter criterion, and the parameter criterion mainly comprises an enthalpy-entropy ratio, an atomic size difference, an electronegativity difference, a valence electron concentration deviation and a total valence electron concentration based on a pseudo-binary sublattice model. Through component design, smelting casting and cold deformation treatment, controllable preparation of the Ni3Al-based high-entropy aluminide is achieved, and the Ni3Al-based high-entropy aluminide is excellent in performance, simple in preparation process, low in cost and suitable for large-scale industrial production.