Unlock instant, AI-driven research and patent intelligence for your innovation.

A Method for Identifying Local Structures in Amorphous Alloys

An amorphous alloy, localized technology, applied in the field of materials science, can solve the problems of inability to uniquely determine clusters, sensitive to thermal disturbances, poor stability, etc., and achieve the effects of stable structure identification, insensitive to thermal disturbances, and intuitive contrast.

Active Publication Date: 2022-02-08
ANHUI UNIVERSITY OF TECHNOLOGY
View PDF0 Cites 0 Cited by
  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

However, this method also has many problems
For example, the Voronoi indices of face-centered cubic (FCC) and hexagonal close-packed (HCP) clusters are both , so the Voronoi indices alone cannot distinguish between the two
It can be seen that the Voronoi index is degenerate to a certain extent, and cannot uniquely determine a cluster with a specific structure; moreover, the Voronoi index is too sensitive to thermal disturbance, and the Voronoi index will change slightly if the structure of the cluster changes slightly. Dramatic changes, and therefore extremely poor stability

Method used

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
View more

Image

Smart Image Click on the blue labels to locate them in the text.
Viewing Examples
Smart Image
  • A Method for Identifying Local Structures in Amorphous Alloys
  • A Method for Identifying Local Structures in Amorphous Alloys
  • A Method for Identifying Local Structures in Amorphous Alloys

Examples

Experimental program
Comparison scheme
Effect test

Embodiment 1

[0055] The local structure of a central atom Zr:

[0056] (1) Determine the voronoi neighboring atoms of the central atom, the central atom and 16 neighboring atoms constitute as follows Figure 6 The voronoi index of the cluster shown is , which does not correspond to any of the above four standard local configurations, so the voronoi index cannot be used to determine its local configuration. domain structure.

[0057] (2) Compared with the standard local configuration FCC. Select 12 atoms from 16 neighboring atoms, and traverse all possible combinations to determine the local configuration to be identified. The root mean square deviation Rmin of the standard local configuration FCC and all combinations of the local configurations to be identified is calculated respectively by formula (3), and the minimum Rmin=0.12074.

[0058] (3) Compared with the standard local configuration HCP. Select 12 atoms from 16 neighboring atoms, and traverse all possible combinations to deter...

Embodiment 2

[0063] The local structure of a central atom Cu:

[0064] (1) Determine the voronoi neighboring atoms of the central atom, the central atom and 13 neighboring atoms constitute as follows Figure 8 The voronoi index of the cluster shown is , which does not correspond to any of the above four standard local configurations, so the voronoi index cannot be used to determine its local configuration. domain structure.

[0065] (2) Compared with the standard local configuration FCC. Select 12 atoms from 13 neighboring atoms, and traverse all possible combinations to determine the local configuration to be identified. The root mean square deviation Rmin of the standard local configuration FCC and all combinations of the local configurations to be identified is calculated respectively by formula (3), and the minimum Rmin=0.11251.

[0066] (3) Compared with the standard local configuration HCP. Select 12 atoms from 13 neighboring atoms, and traverse all possible combinations to deter...

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
Login to View More

PUM

No PUM Login to View More

Abstract

The invention discloses a method for identifying local structures in amorphous alloys. The invention first screens out all standard cluster configurations in amorphous alloys and counts them as M. The standard configurations include a central atom and Nm( Wherein m=1, 2,..., M) neighbor atoms, with the neighbor atoms as particles, construct a point set consisting of Nm elements and then traverse any atom i in the simulation system, using the method of Voronoi polyhedron division The method for identifying the local structure of the amorphous alloy provided by the invention has high resolution and high stability by finding its Ni neighbor atoms, and is an extremely accurate and expandable structure identification method.

Description

technical field [0001] The invention belongs to the technical field of material science, and in particular relates to a method for identifying local structures in amorphous alloys. Background technique [0002] According to the arrangement of internal atoms, solid matter can be roughly divided into two types: crystalline state and amorphous state. There are a wide variety of amorphous substances in nature, such as amber, resin, glass beads near craters, and some living organisms. Even most of the water in the universe exists in the form of amorphous, and many foods for human beings also exist in the form of amorphous. is amorphous. With the advancement of science and technology, there are more and more artificially synthesized amorphous substances, such as various oxide functional glasses, plastics, ceramics, photovoltaic films, amorphous semiconductors, amorphous superconductors, amorphous electrolytes and amorphous alloys, etc. Due to the lack of direction and saturatio...

Claims

the structure of the environmentally friendly knitted fabric provided by the present invention; figure 2 Flow chart of the yarn wrapping machine for environmentally friendly knitted fabrics and storage devices; image 3 Is the parameter map of the yarn covering machine
Login to View More

Application Information

Patent Timeline
no application Login to View More
Patent Type & Authority Patents(China)
IPC IPC(8): G16C20/20G16C10/00
CPCG16C10/00G16C20/20
Inventor 王建国赵慧李维火
Owner ANHUI UNIVERSITY OF TECHNOLOGY