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A Calculation Method of Maximum Negative Mixing Enthalpy of Ternary Amorphous Alloy

A calculation method and technology of amorphous alloys, applied in the field of amorphous alloys, can solve the problems of complex calculation and no guiding significance of composition design, and achieve the effect of avoiding waste.

Active Publication Date: 2022-02-25
GUANGDONG UNIV OF TECH
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Problems solved by technology

[0006] At present, there is no clear method for the design of the amorphous composition. The calculation of the amorphous mixing enthalpy is obtained by integrating the area of ​​the DSC curve of the alloy sample. Calculating the mixing enthalpy of the alloy system after the composition has only verification significance for the design of amorphous alloys, but has no guiding significance for composition design at all.

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  • A Calculation Method of Maximum Negative Mixing Enthalpy of Ternary Amorphous Alloy
  • A Calculation Method of Maximum Negative Mixing Enthalpy of Ternary Amorphous Alloy
  • A Calculation Method of Maximum Negative Mixing Enthalpy of Ternary Amorphous Alloy

Examples

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Embodiment 1

[0029] A calculation method for the maximum negative mixing enthalpy of a Zr-Cu-Al alloy, the specific steps are as follows:

[0030] A known component (Zr 46 ) content while the other two elements (Cu 54-x al x ) is calculated for the Zr-Cu-Al ternary alloy system with unknown content, and its molecular formula is Zr 46 Cu 54-x al x ;

[0031] It is known that the mixing enthalpy of Cu-Zr between Zr (atomic radius 145pm)-Cu (atomic radius 117pm)-Al (atomic radius 118pm) is -23kj / mol, the mixing enthalpy of Zr-Al is -44kj / mol, and Cu The enthalpy of mixing between -Al is -1kj / mol, such as figure 1 shown.

[0032] in 1 mol of Zr 46 Cu 54-x al x Among them, the mixing enthalpy H formed when x Al atoms combine with x Zr atoms and x Cu atoms respectively 1 =x×(-44)+x×(-1)=-45xkj / mol;

[0033] There are two situations for the mixing enthalpy generated by the remaining (46-x) Zr atoms and (54-2x) Cu atoms:

[0034] (1) When (46-x)≥(54-2x), from 46-x>0, 54-2x>0, 8≤x21 =(...

Embodiment 2

[0038] A calculation method for the maximum negative mixing enthalpy of Mg-Cu-Y alloy, the specific steps are as follows:

[0039] A known component (Zr 65 ) content while the other two elements (Cu 35-x al x ) content of unknown Mg-Cu-Y ternary alloy system to calculate the mixing enthalpy, its molecular formula is Mg 65 Cu 35-x Y x ;

[0040] It is known that the mixing enthalpy of Cu-Mg between Mg (atomic radius 136pm)-Cu (atomic radius 117pm)-Y (atomic radius 162pm) is -3kj / mol, the mixing enthalpy of Mg-Al is -38kj / mol, and Cu The enthalpy of mixing between -Y is -22kj / mol, such as figure 2 shown.

[0041] in 1 mol of Mg 65 Cu 35-x Y x Among them, the mixing enthalpy H formed when x Y atoms combine with x Mg atoms and x Cu atoms respectively 1 =x×(-38)+x×(-22)=-60xkj / mol;

[0042] The mixing enthalpy generated by the remaining (65-x) Mg atoms and (35-2x) Cu atoms is as follows:

[0043] Because (65-x)≥(35-2x) is always established, from 65-x>0, 35-2x>0, when...

Embodiment 3

[0046] A calculation method for the maximum negative mixing enthalpy of Cu-Zr-Ti alloy, the specific steps are as follows:

[0047] A certain composition is known (Cu 60 ) content while the other two elements (Zr 40-x Ti x ) of Cu-Zr-Ti ternary alloy system with unknown content is calculated for mixing enthalpy, and its molecular formula is Cu 60 Zr 40-x Ti x ;

[0048] It is known that the mixing enthalpy of Cu-Zr between Cu (atomic radius 117pm)-Zr (atomic radius 145pm)-Ti (atomic radius 132pm) is -23kj / mol, the mixing enthalpy of Zr-Ti is 0kj / mol, and Cu- The enthalpy of mixing between Ti is -9kj / mol, such as image 3 shown in .

[0049] at 1mol Cu 60 Zr 40-x Ti x Among them, the mixing enthalpy H formed when x Ti atoms combine with x Zr atoms and x Cu atoms respectively 1 =x×(-9)=-9xkj / mol;

[0050] The mixing enthalpy generated by the remaining (60-x) Cu atoms and (40-2x) Zr atoms is as follows:

[0051] Because (60-x)≥(40-2x), from 60-x>0, 40-2x>0, when 02 =...

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Abstract

The invention discloses a method for calculating the maximum negative mixing enthalpy of a ternary amorphous alloy. For any given ternary A-B-C alloy system, the composition of element A is known, then A m B 100‑x C x , where, x<100‑m‑x, and 0<x<m, 0<m<100; let the mixing enthalpy of A‑B be ΔH 1 , B‑C mixing enthalpy is ΔH 2 , A‑C enthalpy of mixing is ΔH 3 ; for 1mol A m B 100‑x C x , the enthalpy of mixing ΔH formed between x A, B and C atoms 1 =x(ΔH 1 +ΔH 2 +ΔH 3 ); for the remaining (m-x) A atoms and (100-m-2x) B atoms, the mixing enthalpy is ΔH2; then ΔH=ΔH1+ΔH2 is the maximum negative mixing enthalpy of the system. The invention calculates the maximum negative mixing enthalpy of the system, which has important guiding significance for designing the amorphous alloy composition with the maximum amorphous forming ability.

Description

technical field [0001] The invention belongs to the technical field of amorphous alloys, and more specifically relates to a method for calculating the maximum negative mixing enthalpy of ternary amorphous alloys. Background technique [0002] The preparation of amorphous alloy components involves factors such as process parameters, experimental environment, and the amorphous forming ability of the components themselves. Under the same preparation process conditions, if a component system with relatively high amorphous forming ability can be designed, the requirements for the preparation process of amorphous will be greatly reduced, which will have a great impact on the popularization and application of bulk amorphous alloys. The design of bulk amorphous alloys is generally based on the three principles of Inoue (three principles of Inoue): [0003] 1) Multi-component system with more than three components; [0004] 2) There is an atomic size difference greater than 12% bet...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G16C20/10C22C45/00
CPCC22C45/00C22C2200/02
Inventor 李东洋陶平均杨元政张文武涂其黄文豪
Owner GUANGDONG UNIV OF TECH
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