6 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 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 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 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.