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A method for regulating the average atomic cluster size of amorphous alloys

A technology for amorphous alloys and atomic clusters, which is applied in the field of regulation of the average atomic cluster size of amorphous alloys to achieve the effects of simple implementation, high efficiency, controllability and repeatability

Active Publication Date: 2020-05-19
JIANGSU JICUI ANTAI CHUANGMING ADVANCED ENERGY MATERIALS RES INST CO LTD
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

Although the atomic cluster structure and size of amorphous alloys are closely related to the macroscopic properties of amorphous alloys and are the basis for realizing the macroscopic properties of amorphous alloys, the structure and size of atomic clusters in alloy melts are complex and diverse, and As the temperature of the melt changes, there is currently no experimental technique that can directly measure the atomic cluster structure and size of the amorphous solid alloy and the melt, and obtain information on the atomic cluster structure and size

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  • A method for regulating the average atomic cluster size of amorphous alloys
  • A method for regulating the average atomic cluster size of amorphous alloys
  • A method for regulating the average atomic cluster size of amorphous alloys

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Embodiment 1

[0033] A method for regulating the average atomic cluster size of an amorphous alloy, the specific operation steps are as follows:

[0034] Step 1, calculate Fe 84 Si 10 B 6 (The subscript number in the chemical formula is at%) The change of the average atomic cluster size of the amorphous alloy melt with the melt temperature: first use molecular dynamics or / and first-principles molecular dynamics simulation method to calculate Fe 84 Si 10 B 6 The two-body distribution function of the alloy melt changes with the melt temperature, and then the area of ​​the first neighbor peak at different temperatures is calculated to obtain the corresponding average atomic coordination number of the first neighbor layer and the atomic group corresponding to the coordination number The average cluster size, and the calculation results of the average atomic cluster size with the melt temperature, as the basis for selecting the average atomic cluster size;

[0035] Step 2, determine Fe from...

Embodiment 2

[0040] A method for regulating the average atomic cluster size of an amorphous alloy, the specific operation steps are as follows:

[0041] Step 1, calculate Fe 84 Si 10 B 6 (The subscript number in the chemical formula is at%) The change of the average atomic cluster size of the amorphous alloy melt with the melt temperature: firstly, the molecular dynamics or the first-principle molecular dynamics simulation method is used to calculate Fe 84 Si 10 B 6 The two-body distribution function of the alloy melt changes with the melt temperature, and then the first neighbor peak area at different temperatures is calculated to obtain the average atomic coordination number of the first neighbor layer and the average size of the atomic cluster corresponding to the coordination number , and the calculation results of the average atomic cluster size changing with the melt temperature, as the basis for selecting the average atomic cluster size;

[0042] Step 2, determine Fe from the a...

Embodiment 3

[0047] A method for regulating the average atomic cluster size of an amorphous alloy, the specific operation steps are as follows:

[0048] Step 1, calculate Fe 84 Si 10 B 6 (The subscript number in the chemical formula is at%) The change of the average atomic cluster size of the amorphous alloy melt with the melt temperature: firstly, the molecular dynamics or the first-principle molecular dynamics simulation method is used to calculate Fe 84 Si 10 B 6 The two-body distribution function of the alloy melt changes with the melt temperature, and then the first neighbor peak area at different temperatures is calculated to obtain the average atomic coordination number of the first neighbor layer and the average size of the atomic cluster corresponding to the coordination number , and the calculation results of the average atomic cluster size changing with the melt temperature, as the basis for selecting the average atomic cluster size;

[0049] Step 2, determine Fe from the a...

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Abstract

The invention discloses a regulation method of an amorphous alloy average atomic cluster size. The regulation method of the amorphous alloy average atomic cluster size comprises the steps that amorphous alloy fused mass average atomic cluster size is calculated, specifically, the average atomic cluster sizes of amorphous alloy fused mass are calculated under different temperatures, the calculationresults of the average atomic cluster size changed with the temperature are acquired; super heating treatment is conducted on the alloy fused mass, specifically, the needed average atomic cluster size is chosen according to the calculation results, the temperature corresponding to the chosen average atomic cluster size is determined to be the super heating treatment temperature of the alloy fusedmass, heat preservation is conducted on the alloy fused mass under the super heating treatment temperature, and the alloy fused mass after the super heating treatment is acquired; and rapid solidification is conducted, specifically, the rapid solidification is conducted on the amorphous alloy fused mass after the super heating treatment, and an amorphous solid alloy is acquired. According to theregulation method of the amorphous alloy average atomic cluster size, a novel concept and a novel method of designing and preparation of an amorphous alloy microstructure are initiated, and the regulation method of the amorphous alloy average atomic cluster size has the characteristics of simpleness, convenience, high efficiency, low cost, high technology reliability and the like.

Description

technical field [0001] The invention relates to the technical field of preparation of metal functional materials, in particular to a method for regulating the average atomic cluster size of an amorphous alloy. Background technique [0002] Unlike the case where organic liquids such as water are divided into anions and cations, alloys form some very small atomic clusters after melting. The atomic arrangement inside and on the surface of the atomic clusters is different from that of crystal materials, and changes with the size of the atomic clusters. In the case of a certain alloy composition, the size, geometry and characteristics of atomic clusters still show obvious differences with the difference of melt temperature. Amorphous alloys retain the atomic cluster structure characteristics of the melt, so atomic clusters are the basic units that constitute the electronic band structure of amorphous alloys. Crystalline materials have a periodically distributed electronic band s...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): C22C45/02B22D11/06
Inventor 王岩国董帮少张广强李宗臻周少雄
Owner JIANGSU JICUI ANTAI CHUANGMING ADVANCED ENERGY MATERIALS RES INST CO LTD
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