17 results about "Atomic cluster" patented technology

The invention discloses a method for identifying a molecular structure and constructing a reaction network based on atomic coordinates, and belongs to the technical field of material simulation. According to the method for recognizing the molecular structure based on the atomic coordinates, by obtaining trajectory data, atoms outside a box are converted into atoms inside the box through minimum mirror agreement; grids are divided according to a space truncation radius, potential bonding atoms are accurately screened, and redundancy of distance calculation between every two atoms of the whole system is avoided; atomic clusters are quickly divided in combination with depth-first search, and molecular structure recognition is achieved. The method only depends on basic data such as atomic coordinates and does not depend on a simulation software post-processing module, and the limitation that only a single simulation system is adapted in the prior art is broken through. According to the method for constructing the reaction network, molecular structure description is compared frame by frame, and invalid reactions are offset and filtered through positive and negative reactions to obtain net reactions; counting the net reaction times to determine the reaction probability so as to quantify the tendency of the reaction; and constructing a reaction network by taking the molecular structure as a node and the reaction frequency as an edge weight.

The present invention provides a cold atom three-axis acceleration measurement system and method without an attitude stabilization platform. The system includes three cold atom interference optical paths arranged on a carrier. The three cold atom interference optical paths are arranged to intersect orthogonally with the atomic cluster trapping center as the orthogonal center. Each cold atom interference optical path includes an incident light adjustment mechanism and a reflected light adjustment mechanism. The incident light adjustment mechanism adjusts the angle of the incident light in real time with the orthogonal intersection of the incident light in the three cold atom interference optical paths as the goal. The reflected light adjustment mechanism adjusts the angle of the reflected light in real time with the coincidence of the reflected light and the incident light in the current cold atom interference optical path as the goal. The present invention does not require a stabilization platform to stabilize the attitude of the measurement unit. It adopts a time-sharing interference method of three orthogonal sensitive axes to achieve acceleration measurement of three orthogonal axes. During the measurement process, the three-axis orthogonality is controlled and the angle of each axis is adjusted in real time, which greatly reduces the complexity of the system and improves the system's adaptability to dynamic environments.

The invention discloses a method for purifying a high-purity material. The method comprises the following steps: converting a solid or liquid impurity-containing material into gaseous atoms or atomic clusters; ionizing the gaseous atoms or atomic clusters into charged ions; applying a first electric field and a first magnetic field to the charged ions so as to enable the charged ions to form a collimated ion beam; a second magnetic field is applied to the straightened ion beam, so that impurity ions and material ions in the ion beam are separated from each other; and applying a second electric field on the movement path of the ion beam separated from the impurity ions to reduce the movement speed of the ion beam to a second speed, and collecting the material ions in the ion beam to obtain the high-purity material. The method for purifying the high-purity material is simple in technological process and lower in cost, the purity of the obtained material can reach 7N, 8N or even higher, and the method has important significance in the fields of scientific research and production.

The present invention relates to a device and method for enhancing the sensitivity of rotational measurement using a multi-loop atomic interferometer. The device and method are characterized by: an atomic cluster is initially positioned at the upper center of a vacuum chamber; a pair of control lasers are positioned outside the left and right sides of the vacuum chamber, aligned laterally with the initial position of the atomic cluster; a pair of ejection lasers are positioned above and below the vacuum chamber, aligned vertically with the initial position of the atomic cluster; the pair of control lasers and the pair of ejection lasers constitute a multi-loop interferometer; the pair of control lasers is used to split and combine the atomic cluster in the lateral direction of atomic motion; the pair of ejection lasers is used to initially eject the atomic cluster and then eject it again during the interference process in the direction of atomic motion, ultimately closing the interferometer at the initial ejection position; a detection laser is used to illuminate the atomic cluster after completing n-loop interference path closure; a fluorescence collection device converts the interference signal into an electrical signal, which is transmitted to a computer via a data acquisition device. The present invention achieves an n-fold increase in sensitivity with a short interference time.

The present invention describes a molecular dynamics simulation method for tensile testing of a refractory CuNb amorphous alloy with heterogeneous components. The specific steps are: establishing a CuNb crystal alloy model with uniform component distribution; using an EAM potential function to describe the atomic interaction between Cu and Nb; simulating the process of rapid heating and rapid cooling of the model to obtain a uniform CuNb amorphous alloy model, and outputting atomic coordinates; shearing and combining uniform amorphous alloy models with different atomic ratios to establish a series of amorphous alloy tensile models with different component distributions; performing tensile simulation on the amorphous alloy tensile model to output atomic information under different strains; visualizing the atomic information under different strains to output the deformation morphology, strain cloud map, stress cloud map and atomic cluster distribution map of the amorphous alloy tensile model under different strains; revealing the plastic deformation mechanism of the refractory CuNb amorphous alloy and the influence mechanism of component distribution on the tensile deformation of the refractory CuNb amorphous alloy.

The application relates to a multi-descriptor and coordinate reversible mapping atomic clustering analysis method and system, which comprises the following steps: inputting a set of multiple descriptors representing atomic arrangement characteristics; selecting single descriptor data or comprehensive descriptor data obtained by multi-descriptor weighted combination according to system characteristics by a user; performing clustering analysis on the selected descriptor data, and generating descriptor data grouping and a sample index set corresponding to each group; extracting the Coulomb matrix of each sample in each group from the set of multiple descriptors based on the sample index set of each group, forming a Coulomb matrix subset of each group and respectively calculating the Coulomb matrix mean value; and applying a multi-dimensional scaling algorithm to reduce the Coulomb matrix mean value of each group to a three-dimensional space to generate corresponding three-dimensional atomic coordinates of each group. Compared with the prior art, the application improves the analysis capability of atomic or molecular arrangement characteristics in the data of simulation outputs such as molecular dynamics.

This invention discloses a process for strengthening and toughening aluminum alloys by controlling the atomic clusters of solutes, belonging to the technical field of aluminum alloy strengthening and toughening production processes. The aluminum alloy described in this invention contains, by mass percentage, 10%–12% Si, 1%–1.5% Mg, 3%–6% Cu, 2%–2.6% Zr, 2%–3% Ni, Al, and unavoidable impurities. The process for strengthening and toughening aluminum alloys by controlling the atomic clusters of solutes includes induction furnace melting of the aluminum alloy, laser-promoted cluster formation combined with DC current cluster ionization, and pulsed magnetic field casting. The final product is an aluminum alloy ingot with an Al-Si cluster particle size of 20 μm, clusters accounting for 20% of the primary crystals, and the primary Al and Si crystals exhibiting fine-grained spherical equiaxed crystals. The difference between the center and edge of the ingot is within 1.5%, achieving the goal of strengthening and toughening the aluminum alloy.

This invention discloses a two-component atomic interferometer for large momentum transfer based on four-wave dual-diffraction Raman spectroscopy. It includes a vacuum system, within which cold atomic clusters comprise two components. First, second, and third Raman lasers incident on the vacuum system constitute the Raman light of the first component, while first, second, and fourth Raman lasers constitute the Raman light of the second component. Frequency variations in the third and fourth Raman lasers compensate for the Doppler frequency shift caused by the difference in recoil velocity during the large momentum transfer of the two atomic components. This invention utilizes the insensitivity of the two-component atomic interferometer to the third frequency of the Raman laser. By independently adjusting the frequency of the non-shared lasers of the two-component atomic interferometer, it achieves large momentum transfer in the two-component atomic interferometer while ensuring common-mode suppression of phase noise in the two-component atoms, and without limiting the number of recoil photons by the Doppler frequency shift difference, thus improving the accuracy of differential measurements.

The invention belongs to the field of precision measurement, and particularly discloses a method for measuring the transverse temperature of an atomic group in an atomic interferometer. The method comprises the following steps: firstly, adjusting the starting time to control the size of an atomic group at the moment of acting on a Raman light pulse, and carrying out a Rabian oscillation experiment under different atomic group sizes; performing trigonometric function fitting on the experimental data, and extracting key parameters reflecting the transverse temperature from the experimental data; and finally, performing inversion calculation to obtain the transverse temperature of the atomic group. The method is based on Gaussian distribution of atomic group density and Raman light intensity in a transverse space, and a coupling result of the atomic group density and the Raman light intensity shows non-uniformity of atomic transition in the transverse space, so that the overall average transition probability of an atomic group, namely the linetype of a Rahis oscillation curve, is influenced; on the contrary, the line type of the Rabian oscillation of the atomic group contains the transverse parameter of the atomic group, and the transverse parameter of the atomic group is extracted from the line type of the Rabian oscillation. The method can be completed only by means of the atom interferometer, and is low in equipment requirement, simple in process and easy to operate.

This application belongs to the field of atomic interferometry precision measurement, specifically disclosing a method and apparatus for atomic interferometry based on dual optical tweezers guidance. This application achieves efficient segmentation by employing dual optical tweezers for initial state preparation and beam splitting of the initial cold atomic clusters, reducing the heating and decoherence effects associated with traditional methods. By controlling the optical tweezers to guide the two atomic clusters along a non-overlapping, tightly wound path, interaction and decoherence are avoided, while the extended movement distance enhances phase accumulation and improves interference sensitivity. Subsequently, atomic interference is achieved by combining the optical tweezers beams, ensuring stable interference fringes and improving measurement accuracy. Finally, the combined atomic clusters are used iteratively as the initial atomic clusters, reducing repeated preparation time and effectively increasing the sampling rate. Compared with existing technologies, this method improves the sampling rate and measurement sensitivity while reducing heating and decoherence, thus solving the problems of limited heating, decoherence, and sampling rate in atomic interferometers and significantly enhancing measurement capabilities.

The invention belongs to the technical field of material energetic analysis, and particularly relates to an energy prediction method and system for a nano-hole-alloy atomic cluster structure in metal based on machine learning, and the method comprises the steps: carrying out the energy prediction of a to-be-selected site on the surface of a nano-hole-alloy atomic cluster; counting the number of vacancies and alloy atoms in first and second adjacent shell layers to form feature vectors; and inputting the feature vector into a trained prediction model, outputting first binding energy for describing the interaction between the new alloy atoms and the pure nano-pores and second binding energy for describing the interaction between the new alloy atoms and the adsorbed alloy atoms, and summing to obtain total binding energy. Training data is obtained through density functional theory calculation, a gradient lifting decision tree model is adopted, and features are cut off from front ten neighbor shell layers to front two neighbor shell layers based on feature importance analysis. According to the method, the problems that the traditional DFT calculation amount is large and the molecular dynamics precision is limited are solved, and efficient and accurate prediction of the binding energy of the metal defect-solute system is achieved.

The present invention belongs to the field of molecular dynamics. To address issues such as decreased cache hit rates during traditional adjacency list construction, a molecular dynamics adjacency list construction optimization method, system, and supercomputer platform are provided. The molecular dynamics adjacency list construction optimization method includes mapping atomic coordinates within each physical space to three-dimensional integer grid coordinates; performing one-dimensional mapping encoding on the three-dimensional integer grid coordinates of all atoms and sorting all atoms; clustering all sorted atoms to obtain a number of atomic clusters and initializing the shared states within them; constructing candidate neighbor regions for each atomic cluster based on the initialized shared states within each atomic cluster; and uniformly traversing the candidate neighbor regions of each atomic cluster according to vectorized instructions, constructing an adjacency list for each atom in each atomic cluster, and writing the list into a global adjacency list, thereby achieving larger-scale and more efficient molecular simulations.

A method of making stable clusters of atoms that are of subcritical size, in which rapid expansion and rapid cooling of a vapor cloud takes place in which the vapor conditions or parameters are controlled so that multiple stable clusters, each with a size less than the critical size and formed from sub-critical nucleation, are condensed.

The application discloses a kind of full same chromium atomic cluster and its self-assembly method and application, comprising the following steps: preparation Cr x NbSe2 Single crystal;Fix the single crystal to the sample holder, and fix the ceramic rod on the surface of the single crystal far from the sample holder on one side, place the assembled sample in an ultrahigh vacuum cavity, and impact the ceramic rod by external force to realize sample cleavage, then transfer the cleaved sample in situ to the scanning tunneling microscope cavity, and perform temperature reduction and surface morphology characterization. The application successfully realizes the self-assembly of large-area chromium atomic clusters by using single crystal cleavage technology, the cluster size is consistent and uniformly distributed, has extremely high chemical and structural stability, and the sample size can reach centimeter level, which lays a foundation for the application of magnetic atomic clusters in new generation semiconductor devices.

This invention belongs to the field of atomic inertial measurement technology and discloses a method and system for controlling a continuous atomic interferometer. The method includes: atoms undergoing N stimulated Raman transitions sequentially, with a time difference of T between each transition, to achieve atomic interference. In the same vacuum cavity, multiple atomic clusters are subjected to atomic interference sequentially. When the Kth atomic cluster undergoes its nth stimulated Raman transition, the (K+1)th atomic cluster shares the Raman laser with it and simultaneously undergoes its first stimulated Raman transition. This ensures that at every moment in the vacuum cavity, an atomic cluster is performing atomic interference. The interferometer output covers the entire operating time of the interferometer, achieving continuous measurement by the atomic interferometer, where n is less than or equal to N.