Method for determining the diffusion coefficients of the components in ternary compounds based on functional coatings

Abstract

The present disclosure provides a method for determining the diffusion coefficient of a component in a ternary compound based on a functional coating. The method comprises: processing the ternary compound based on a preset processing method to obtain a component concentration label value and a thickness label value; obtaining an initial diffusion coefficient; inputting the initial diffusion coefficient into a diffusion phase transition model to output a component concentration evaluation value and a thickness evaluation value according to the relationship between the initial diffusion coefficient and the component chemical potential, the coupling relationship between the component chemical potential and the component concentration, and the relationship between the initial diffusion coefficient and the phase interface moving speed; adjusting the initial diffusion coefficient according to the component concentration label value and the component concentration evaluation value, and the thickness label value and the thickness evaluation value, until the target function constructed according to the component concentration label value and the component concentration evaluation value, and the thickness label value and the thickness evaluation value meets the preset convergence condition; determining the diffusion coefficient obtained when the target function meets the preset convergence condition as the component diffusion coefficient.

Description

TECHNICAL FIELD

[0001] The present disclosure relates to the field of determining the diffusion coefficient of components in ternary compounds, and more particularly to a method, apparatus, device, medium and program product for determining the diffusion coefficient of components in ternary compounds based on functional coatings. BACKGROUND

[0002] The ternary compounds determined by the functional coating and the base material generally have both concentration gradient components and non-concentration gradient components. In such ternary compounds, the tracer diffusion coefficient of components is generally used to characterize the diffusion behavior of components between the functional coating and the base. In the process of implementing the concept of the present disclosure, the inventors found that at least the following problems exist in the related art: Since the ternary compounds based on functional coatings simultaneously have both concentration gradient components and non-concentration gradient components, the related art generally uses a multi-component diffusion equation model based on concentration gradient or chemical potential gradient to determine the tracer diffusion coefficient of components in such compounds. Such a multi-component diffusion equation model cannot simultaneously take into account both the concentration gradient components and the non-concentration gradient components, so it cannot accurately obtain the tracer diffusion coefficient of components, thereby leading to low accuracy in characterizing the diffusion phase change process of the functional coating, reducing the performance of the functional coating, and affecting the service life of the functional coating. SUMMARY

[0003] In view of the above problems, the present disclosure provides a method, apparatus, device, medium and program product for determining the diffusion coefficient of components in ternary compounds based on functional coatings, which improves the accuracy of characterizing the diffusion phase change process of the functional coating and prolongs the service life of the functional coating.

[0004] One aspect of this disclosure provides a method for determining the diffusion coefficient of components in a ternary compound based on a functional coating, comprising: processing multiple components in the ternary compound according to a preset processing method to obtain a component concentration label value for each of the multiple components in the ternary compound, wherein the ternary compound is determined from a ternary compound system composed of a functional coating and a matrix material, and the ternary compound system further includes multiple phases; processing the multiple phases in the ternary compound system according to the preset processing method to obtain a thickness label value for each of the multiple phases; obtaining an initial diffusion coefficient for each component in the ternary compound; and inputting the initial diffusion coefficient into a diffusion phase transition circuit. In the model, based on the relationship between the initial diffusion coefficient and the component chemical potential, the coupling relationship between the component chemical potential and the component concentration, and the relationship between the initial diffusion coefficient and the phase interface migration velocity of the phase containing the component, the component concentration assessment value and the thickness assessment value are output. The initial diffusion coefficient is iteratively adjusted based on the component concentration label value, the component concentration assessment value, the thickness label value, and the thickness assessment value until the objective function constructed based on the component concentration label value, the component concentration assessment value, the thickness label value, and the thickness assessment value satisfies the preset convergence condition. The diffusion coefficient obtained when the objective function satisfies the preset convergence condition is determined as the component diffusion coefficient.

[0005] According to embodiments of this disclosure, the above-mentioned diffusion phase transition model includes a component diffusion sub-model and a phase interface migration sub-model; the above-mentioned component diffusion sub-model is constructed based on component diffusion time, component diffusion location, and component chemical potential gradient; the above-mentioned phase interface migration sub-model is constructed based on the phase interface migration velocity of the phase in which the above-mentioned component is located and the component chemical potential gradient.

[0006] According to embodiments of this disclosure, the above-mentioned inputting the initial diffusion coefficient into the diffusion phase transition model to determine the relationship between the initial diffusion coefficient and the component chemical potential, as well as the coupling relationship between the component chemical potential and the component concentration, includes: inputting the initial diffusion coefficient into the component diffusion sub-model; constructing the component chemical formula gradient based on the initial diffusion coefficient to determine the relationship between the initial diffusion coefficient and the component chemical potential; and determining the coupling relationship between the component chemical potential and the component concentration based on the component diffusion time, the component diffusion location, and the component chemical potential gradient.

[0007] According to embodiments of this disclosure, the relationship between the initial diffusion coefficient and the phase interface migration velocity of the phase containing the component is determined as follows: the initial diffusion coefficient is input into the phase interface migration sub-model; the correlation between the initial diffusion coefficient and the phase interface migration is determined based on the phase interface migration velocity of the phase containing the component and the component chemical potential gradient, wherein the component chemical potential gradient is constructed based on the initial diffusion coefficient; and the thickness assessment value of each phase is determined based on the correlation.

[0008] According to embodiments of this disclosure, the ternary compound is prepared by: hot-pressing the raw material of the functional coating into a bulk material at a preset temperature; subjecting the substrate material and the bulk material to heat treatment under preset conditions to obtain a ternary compound diffusion couple; and vacuum annealing the ternary compound diffusion couple to obtain a ternary compound based on the functional coating.

[0009] According to embodiments of this disclosure, the method further includes: mechanically grinding and polishing the ternary compound based on the functional coating to obtain a ternary compound for metallographic testing.

[0010] According to embodiments of this disclosure, the above-mentioned processing of the plurality of phases in the ternary compound system based on the above-mentioned preset processing method to obtain the thickness label value of each of the plurality of phases includes: determining the phase interface position of the plurality of phases of the ternary compound based on the cross-section of the functional coating; and determining the thickness label value of each phase based on the phase interface positions on both sides of each of the plurality of phases.

[0011] According to embodiments of this disclosure, the above-mentioned processing of multiple components in a ternary compound based on a preset processing method to obtain the component concentration label value of each of the multiple components in the ternary compound includes: performing point-by-point scanning of the ternary compound and calibrating it using pure elemental samples to obtain component concentration distribution results; and determining the component concentration label value based on the component concentration distribution results.

[0012] According to embodiments of this disclosure, the objective function constructed based on the component concentration label value, the component concentration evaluation value, the thickness label value, and the thickness evaluation value satisfies the preset convergence condition by: determining the component concentration difference and the thickness difference based on the component concentration label value, the component concentration evaluation value, the thickness label value, and the thickness evaluation value, respectively; constructing the objective function together based on the component concentration difference and the component concentration label value, and the thickness difference and the thickness label value; iteratively solving the objective function for the global minimum value using a differential evolution algorithm; and confirming that the objective function satisfies the preset convergence condition when the minimum value is obtained through the iterative solution.

[0013] According to embodiments of this disclosure, the composition of the functional coating includes at least one of the following: MoSi2, NiAl, NbSi2, and the matrix material includes at least one of the following: Nb, Mo.

[0014] According to embodiments of this disclosure, when the composition of the functional coating includes MoSi2 and the matrix material includes Nb, the ternary compound includes (Nb,Mo)5Si3 and (Mo,Nb)5Si3, wherein both (Nb,Mo)5Si3 and (Mo,Nb)5Si3 are single-phase regions.

[0015] According to embodiments of this disclosure, the above-mentioned component diffusion coefficients include the diffusion coefficients of Nb, Mo, and Si in (Nb,Mo)₅Si₃ and the diffusion coefficients of Nb, Mo, and Si in (Mo,Nb)₅Si₃.

[0016] According to embodiments of this disclosure, multiple phase interfaces are determined based on the single-phase region of (Nb,Mo)₅Si₃ and the single-phase region of (Mo,Nb)₅Si₃. The method further includes: constructing a component diffusion sub-model based on the single-phase region of (Nb,Mo)₅Si₃ and the single-phase region of (Mo,Nb)₅Si₃; and constructing a phase interface migration sub-model based on the multiple phase interfaces.

[0017] Another aspect of this disclosure provides an apparatus for determining the diffusion coefficient of components in a ternary compound based on a functional coating, comprising: a first processing module for processing multiple components in the ternary compound according to a preset processing method to obtain a component concentration label value for each of the multiple components in the ternary compound, wherein the ternary compound is determined from a ternary compound system composed of a functional coating and a matrix material, and the ternary compound system further comprises multiple phases; a second processing module for processing the multiple phases in the ternary compound system according to the preset processing method to obtain a thickness label value for each of the multiple phases; an acquisition module for acquiring the initial diffusion coefficient of each component in the ternary compound; and a first input module for inputting the initial diffusion coefficient... The coefficients are input into the diffusion phase transition model so that, based on the relationship between the initial diffusion coefficient and the component chemical potential, the coupling relationship between the component chemical potential and the component concentration, and the relationship between the initial diffusion coefficient and the phase interface migration velocity of the phase containing the component, the component concentration assessment value and the thickness assessment value of each phase are output. The first adjustment module is used to iteratively adjust the initial diffusion coefficient based on the component concentration label value, the component concentration assessment value, the thickness label value, and the thickness assessment value until the objective function constructed based on the component concentration label value, the component concentration assessment value, the thickness label value, and the thickness assessment value satisfies the preset convergence condition. The first determination module is used to determine the diffusion coefficient obtained when the objective function satisfies the preset convergence condition as the component diffusion coefficient.

[0018] Another aspect of this disclosure provides an electronic device, comprising: one or more processors; and a storage device for storing one or more programs, wherein, when the one or more programs are executed by the one or more processors, the one or more processors perform the aforementioned method for determining the diffusion coefficient of components in a ternary compound based on an antioxidant coating.

[0019] Another aspect of this disclosure provides a computer-readable storage medium having executable instructions stored thereon, which, when executed by a processor, cause the processor to perform the above-described method for determining the diffusion coefficient of components in a ternary compound based on an antioxidant coating.

[0020] Another aspect of this disclosure provides a computer program product, including a computer program that, when executed by a processor, implements the method for determining the diffusion coefficient of components in a ternary compound based on an antioxidant coating.

[0021] According to the method, apparatus, device, medium, and program product for determining the component diffusion coefficient in a ternary compound based on a functional coating provided in this disclosure, the component diffusion coefficient is obtained by obtaining the component concentration label value and thickness label value of each phase, as well as the component concentration evaluation value and thickness evaluation value obtained based on the initial diffusion coefficient, and by iteratively adjusting the initial diffusion coefficient based on the component concentration label value, component concentration evaluation value, thickness label value, and thickness evaluation value. Because the component evaluation value and thickness evaluation value are obtained based on the relationship between the initial diffusion coefficient and the component chemical potential, the coupling relationship between the component chemical potential and the component concentration, and the relationship between the initial diffusion coefficient and the phase interface migration velocity of the component phase, and the final component diffusion coefficient is obtained based on the component concentration label value, component concentration evaluation value, thickness label value, and thickness evaluation value, this method eliminates the limitation of needing to use concentration gradient and chemical formula gradient to determine the component diffusion coefficient. It at least partially overcomes the situation in related technologies where it is impossible to take into account the simultaneous presence of components with and without concentration gradients in ternary compounds. As a result, it can obtain accurate component tracer diffusion coefficients, improve the accuracy of characterizing the diffusion phase transition process of functional coatings, and achieve the technical effects of improving the performance of functional coatings and extending the service life of functional coatings. Attached Figure Description

[0022] The foregoing contents, as well as other objects, features, and advantages of this disclosure, will become clearer from the following description of embodiments with reference to the accompanying drawings, in which:

[0023] Figure 1 A flowchart illustrating a method for determining the diffusion coefficient of components in a ternary compound based on a functional coating according to an embodiment of the present disclosure is shown.

[0024] Figure 2 A flowchart illustrating a method for preparing a ternary compound according to an embodiment of the present disclosure is shown schematically.

[0025] Figure 3 A schematic diagram illustrates the structure of a device for determining the diffusion coefficient of components in a ternary compound based on a functional coating, according to an embodiment of the present disclosure; and

[0026] Figure 4 A block diagram schematically illustrates an electronic device suitable for implementing a method for determining the diffusion coefficient of components in a ternary compound based on a functional coating, according to embodiments of the present disclosure. Detailed Implementation

[0027] The embodiments of the present disclosure will now be described with reference to the accompanying drawings. However, it should be understood that these descriptions are exemplary only and are not intended to limit the scope of the disclosure. In the following detailed description, numerous specific details are set forth to provide a thorough understanding of the embodiments of the present disclosure for ease of explanation. However, it will be apparent that one or more embodiments may be practiced without these specific details. Furthermore, descriptions of well-known structures and techniques are omitted in the following description to avoid unnecessarily obscuring the concepts of the present disclosure.

[0028] The terminology used herein is for the purpose of describing particular embodiments only and is not intended to limit this disclosure. The terms “comprising,” “including,” etc., as used herein indicate the presence of the stated features, steps, operations, and / or components, but do not exclude the presence or addition of one or more other features, steps, operations, or components.

[0029] All terms used herein (including technical and scientific terms) have the meanings commonly understood by those skilled in the art, unless otherwise defined. It should be noted that the terms used herein are to be interpreted in a manner consistent with the context of this specification, and not in an idealized or overly rigid way.

[0030] When using expressions such as "at least one of A, B, and C," the expression should generally be interpreted in accordance with the meaning commonly understood by a person skilled in the art (e.g., "a system having at least one of A, B, and C" should include, but is not limited to, systems having A alone, having B alone, having C alone, having A and B, having A and C, having B and C, and / or having A, B, and C, etc.). Similarly, when using expressions such as "at least one of A, B, or C," the expression should generally be interpreted in accordance with the meaning commonly understood by a person skilled in the art (e.g., "a system having at least one of A, B, or C" should include, but is not limited to, systems having A alone, having B alone, having C alone, having A and B, having A and C, having B and C, and / or having A, B, and C, etc.).

[0031] During the preparation and use of functional coatings, component diffusion occurs between the functional coating and the substrate. This diffusion leads to changes in the concentration and phase composition of the functional coating, resulting in premature failure and affecting its quality and lifespan. For example, the diffusion of a MoSi2 antioxidant coating with the Nb substrate can cause the coating to gradually transform into a low-silicide phase, thus losing its antioxidant capacity. Therefore, accurate measurement of the component tracer diffusion coefficient in ternary compounds is essential, and this is an important direction in the study of diffusion phase transitions in multi-component systems.

[0032] Currently, the determination of tracer diffusion coefficients in multi-component material systems is mainly based on diffusion equation models. However, these models are primarily based on concentration gradients or chemical potential gradients. Since ternary compounds contain both components with and without concentration gradients, existing models cannot accurately describe the diffusion behavior of each component and cannot obtain the diffusion coefficients of all components based on existing models. This results in the inability to accurately characterize the diffusion phase transitions during the preparation and use of functional coatings, thus posing challenges to the performance, modification design, and lifetime prediction of functional coatings.

[0033] In view of this, embodiments of the present disclosure provide a method, apparatus, device, medium, and program product for determining the diffusion coefficient of components in a ternary compound based on a functional coating, used to accurately characterize the diffusion phase transition process of the functional coating, improve the performance of the functional coating, and extend the service life of the functional coating. Specifically, the method includes: processing multiple components in a ternary compound based on a preset processing method to obtain a component concentration label value for each component in the ternary compound, wherein the ternary compound is determined from a ternary compound system composed of a functional coating and a matrix material, and the ternary compound system further includes multiple phases; processing the multiple phases in the ternary compound system based on a preset processing method to obtain a thickness label value for each phase; obtaining the initial diffusion coefficient of each component in the ternary compound; and inputting the initial diffusion coefficient into a diffusion phase transition model so as to determine the diffusion coefficient of each component based on the initial diffusion coefficient. The relationships between the initial diffusion coefficient and the component chemical potential, the coupling relationship between the component chemical potential and the component concentration, and the relationship between the initial diffusion coefficient and the phase interface migration velocity of the component phase are analyzed. The component concentration assessment value and the thickness assessment value of each phase are output. The initial diffusion coefficient is iteratively adjusted based on the component concentration label value, the component concentration assessment value, the thickness label value, and the thickness assessment value until the objective function constructed based on the component concentration label value, the component concentration assessment value, the thickness label value, and the thickness assessment value satisfies the preset convergence condition. The diffusion coefficient obtained when the objective function satisfies the preset convergence condition is determined as the component diffusion coefficient.

[0034] Figure 1 A flowchart illustrating a method for determining the diffusion coefficient of components in a ternary compound based on a functional coating according to an embodiment of the present disclosure is shown.

[0035] like Figure 1 As shown, the method for determining the component diffusion coefficient in the ternary compound based on the functional coating in this embodiment includes operations S101 to S106.

[0036] In operation S101, multiple components in the ternary compound are processed based on a preset processing method to obtain the component concentration label value of each component in the ternary compound. The ternary compound is determined from a ternary compound system composed of an antioxidant coating and a matrix material. The ternary compound system also includes multiple phases.

[0037] In operation S102, multiple phases in the ternary compound system are processed based on a preset processing method to obtain the thickness label value of each phase.

[0038] In operation S103, the initial diffusion coefficient of each component in the ternary compound is obtained.

[0039] In operation S104, the initial diffusion coefficient is input into the diffusion phase transition model so that, based on the relationship between the initial diffusion coefficient and the component chemical potential, the coupling relationship between the component chemical potential and the component concentration, and the relationship between the initial diffusion coefficient and the phase interface migration velocity of the component phase, the component concentration assessment value and the thickness assessment value of each phase are output.

[0040] In operation S105, the initial diffusion coefficient is iteratively adjusted based on the component concentration label value, component concentration evaluation value, thickness label value, and thickness evaluation value until the objective function constructed based on the component concentration label value, component concentration evaluation value, thickness label value, and thickness evaluation value satisfies the preset convergence condition.

[0041] In operation S106, the diffusion coefficient obtained under the condition that the objective function satisfies the preset convergence condition is determined as the component diffusion coefficient.

[0042] According to the embodiments of this disclosure, a functional coating can be understood as a coating with certain properties. It can be a coating that provides protection to the substrate, changes or improves the properties of the substrate, such as thermal barrier coatings, heat-resistant alloy coatings (co, Ni, Cr and other metal coatings), noble metal coatings (Pt, Ir and other noble metal coatings), aluminide coatings (NiAl and other coatings), silicide coatings (NbSi2, MoSi2 and other), etc. In this disclosure, the method for determining the diffusion coefficient of components in a ternary compound based on a functional coating is described using an antioxidant coating (MoSi2) in a silicide coating as an example.

[0043] According to embodiments of this disclosure, the preset processing method may be to use an electron probe to scan the components in the ternary compound point by point and to use pure elemental samples for calibration, so as to obtain the component concentrations respectively.

[0044] According to embodiments of this disclosure, the preset processing method can also be to observe the phase interface of the antioxidant coating cross-section before and after diffusion using a scanning electron microscope.

[0045] According to embodiments of this disclosure, taking a ternary compound system composed of a MoSi2 antioxidant coating and a Nb matrix as an example, this ternary compound system can contain multiple phases, which can be: Nb, (Nb,Mo)5Si3, (Mo,Nb)5Si3, and MoSi2. Specifically, (Nb,Mo)5Si3 and (Mo,Nb)5Si3 can be ternary compounds, and more specifically, (Nb,Mo)5Si3 and (Mo,Nb)5Si3 can serve as two single-phase regions within the ternary compound system. In these two ternary compounds, the multiple components can refer to Nb, Mo, and Si. It is understood that the matrix material can also be other refractory metals, such as Mo.

[0046] According to embodiments of this disclosure, the component concentration label value can be obtained by scanning the ternary compound point-by-point before and after diffusion using an electron probe and calibrating it with pure elemental samples. This measured value is convenient for comparison with the component concentration evaluation value output by the model based on the initial component diffusion parameters. By continuously adjusting the initial component parameters, the component concentration evaluation value is made to continuously approach the component concentration label value. The initial component diffusion parameters corresponding to the situation where the component concentration evaluation value continuously approaches the component concentration label value can be used as the final component diffusion parameters to be obtained.

[0047] According to embodiments of this disclosure, the thickness label value can be a real value obtained by observation or actual measurement by scanning electron microscopy, and the thickness label value of each phase can be determined based on the difference between the positions of the two phase interfaces of each phase.

[0048] According to embodiments of this disclosure, the initial diffusion coefficient can refer to a diffusion coefficient initially determined based on the components and the ternary compound. This diffusion coefficient can be determined based on other ternary compounds with similar properties to the ternary compound, or it can be determined based on empirical values. It is understood that this initial diffusion coefficient is not a highly accurate value and requires continuous iterative adjustments to obtain a more accurate component diffusion coefficient. In embodiments of this disclosure, the diffusion coefficient can be a tracer diffusion coefficient. The tracer diffusion coefficient is an intrinsic parameter characterizing the diffusion capability of a material and is fundamental data for modeling material diffusion phase transition processes and designing material systems.

[0049] According to embodiments of this disclosure, taking ternary linearized compounds (Nb,Mo)₅Si₃ and (Mo,Nb)₅Si₃ as examples, the initial diffusion coefficient and component diffusion coefficient can refer to the diffusion coefficients of Nb, Mo, and Si in (Nb,Mo)₅Si₃ and the diffusion coefficients of Nb, Mo, and Si in (Mo,Nb)₅Si₃, respectively. Specifically, the tracer diffusion coefficients of Nb, Mo, and Si in (Nb,Mo)₅Si₃ include... In the diffusion coefficient, α can represent a phase of Nb₅Si₃. The tracer diffusion coefficients of Nb, Mo, and Si in (Nb,Mo)₅Si₃ include... In the diffusion coefficient, β can represent another phase of Nb₅Si₃. Among these nine diffusion coefficients, It can be determined by combining binary diffusion experiments in Mo-Si and Nb-Si diffusion couples, based on the determination method of the chemical potential gradient model. The diffusion coefficient of the components in a ternary compound based on an antioxidant coating, as provided in the embodiments of this disclosure, can be determined.

[0050] According to embodiments of this disclosure, the diffusion phase transition model can be a multi-component diffusion phase transition kinetic model for outputting component concentration assessment values ​​and thickness assessment values ​​for each phase. The thickness assessment value of a phase can be determined based on the positional difference between the interfaces on both sides of the phase. It is understood that the component concentration assessment values ​​and thickness assessment values ​​are obtained based on the model, and these two values ​​differ from the component concentration label values ​​and thickness label values, respectively. It is necessary to continuously adjust the diffusion parameters to gradually reduce these differences, so that the component concentration assessment values ​​and thickness assessment values ​​approach the component concentration label values ​​and thickness label values, respectively. The multi-component diffusion phase transition kinetic model can be constructed based on the relationship between the diffusion coefficient and the component chemical potential, and the coupling relationship between the component chemical potential and the component concentration in a ternary compound. By solving this model, the tracer diffusion coefficients of multiple components in a ternary compound can be determined.

[0051] According to embodiments of this disclosure, the objective function is constructed based on the difference between the component concentration label value and the component concentration assessment value. A preset convergence condition is that the objective function converges to its minimum value. Specifically, by iteratively adjusting the initial diffusion coefficient, the component concentration assessment value and the component concentration label value can be made infinitely close. It is understood that the objective function also converges to its minimum value at this point. The iteratively adjusted diffusion coefficient obtained under this condition is used as the final component diffusion coefficient to be obtained.

[0052] According to the method, apparatus, device, medium, and program product for determining the component diffusion coefficient in a ternary compound based on an antioxidant coating provided in this disclosure, the component concentration label value and thickness label value of each phase are obtained, and the component concentration evaluation value and thickness evaluation value are obtained based on the initial diffusion coefficient. The initial diffusion coefficient is iteratively adjusted based on the component concentration label value, component concentration evaluation value, thickness label value, and thickness evaluation value to obtain the final component diffusion coefficient. Because the component evaluation value and thickness evaluation value are obtained based on the relationship between the initial diffusion coefficient and the component chemical potential, the coupling relationship between the component chemical potential and the component concentration, and the relationship between the initial diffusion coefficient and the phase interface migration velocity of the component phase, and the final component diffusion coefficient is obtained based on the component concentration label value, component concentration evaluation value, thickness label value, and thickness evaluation value, this method eliminates the limitation of needing to use concentration gradient and chemical formula gradient to determine the component diffusion coefficient. It at least partially overcomes the situation in related technologies where it is impossible to take into account the simultaneous presence of components with and without concentration gradients in ternary compounds. As a result, it can obtain an accurate component tracer diffusion coefficient, improve the accuracy of characterizing the diffusion phase transition process of the antioxidant coating, and achieve the technical effect of improving the antioxidant capacity of the antioxidant coating and extending the service life of the antioxidant coating.

[0053] According to embodiments of this disclosure, the diffusion phase transition model includes a component diffusion sub-model and a phase interface migration sub-model; the component diffusion sub-model is constructed based on component diffusion time, component diffusion location, and component chemical potential gradient; the phase interface migration sub-model is constructed based on the phase interface migration velocity of the phase in which the component is located and the component chemical potential gradient.

[0054] According to embodiments of this disclosure, the diffusion phase transition model can be composed of a component diffusion sub-model, a phase interface migration sub-model, and a state equation. The diffusion phase transition model can describe the component concentration changes and phase interface movement during the diffusion phase transition process. The state equation can be as shown in Equation (1), the component diffusion sub-model can be as shown in Equations (2) and (3), and the phase interface migration sub-model can be as shown in Equation (4). The construction process of the diffusion phase transition model can be as shown in Equations (1) to (6).

[0055] According to embodiments of this disclosure, the equation of state between the chemical potential of each component and the concentration of the component in the ternary compound system can be expressed as shown in formula (1).

[0056]

[0057] In this context, i can represent a component, k can represent a phase, and a ternary compound can also be considered as a phase. Therefore, in formulas (1) to (11), k can also represent a ternary compound. m and n can both be the stoichiometric ratios within the ternary compound. This can represent the chemical potential of component i in phase k. G can represent the chemical potential of component C in phase k. k It is the Gibbs free energy of the k phase, G k It is a function of temperature and component concentration. This represents the concentrations of components i = A and B in phase k. It can represent the concentration of component C in phase k.

[0058] According to an embodiment of this disclosure, operation S104 may further include the following operations: inputting the initial diffusion coefficient into the component diffusion sub-model; constructing a component chemical formula gradient based on the initial diffusion coefficient to determine the relationship between the initial diffusion coefficient and the component chemical potential; and determining the coupling relationship between the component chemical potential and the component concentration based on the component diffusion time, component diffusion location, and component chemical potential gradient.

[0059] According to embodiments of this disclosure, the relationship between the initial diffusion coefficient and the phase interface migration velocity of the phase containing the component can be determined as follows: the initial diffusion coefficient is input into the phase interface migration sub-model; the correlation between the initial diffusion coefficient and the phase interface migration is determined based on the phase interface migration velocity of the phase containing the component and the component chemical potential gradient, wherein the component chemical potential gradient is constructed based on the initial diffusion coefficient; and the thickness assessment value of each phase is determined based on the correlation.

[0060] According to embodiments of this disclosure, for a diffusion phase transition process, a component diffusion sub-model, constructed based on component diffusion time, component diffusion location, and component chemical potential gradient, and used to describe component concentration changes, can be obtained according to formulas (2) and (3). Formulas (2) and (3) can also be used to represent the coupling relationship between component chemical potential and component concentration, determined based on component diffusion time, component diffusion location, and component chemical potential gradient. The phase interface migration equation, constructed based on the phase interface migration velocity of the phase in which the component is located and the component chemical potential gradient, can be obtained according to formula (4).

[0061]

[0062]

[0063]

[0064] Where x represents the component diffusion position, and t can represent the component diffusion time. This can represent the concentration of component i (i = A, B, C) in phase k. The chemical diffusion flux of component i in phase k in a fixed coordinate system can be expressed as a function of the chemical potential gradient of each component, as shown in formula (5). k-1，kIt can represent the position of the interface between phase k-1 and phase k, s k，k+1 It can represent the position of the interface between phase k and phase k+1. This can represent the concentration of component i (i = A, B, C) at the right end face of phase k. This can represent the concentration of component i (i = A, B, C) at the left end face of phase k+1. It can represent the moving speed at the interface between phase k and phase k+1. This can represent the chemical potential gradient of component i (i = A, B, C) on the right-hand side of phase k. It can represent the chemical potential gradient of component i (i = A, B, C) at the left end face of phase k+1.

[0065]

[0066] Equation (5) can also be used to represent the relationship between the diffusion coefficient and the component chemical potential, or to represent the component chemical formula gradient constructed using the initial diffusion coefficient. In Equation (5), i and j both represent components; i and j can represent the same component or different components. δ ij Dirac function V can represent the concentration of component i (i = A, B, C) in phase k. k This can represent the molar volume of phase k, where R is the gas constant and T is the temperature. This can represent the chemical potential of component j in phase k. This can represent the tracer diffusion coefficient of component j in phase k. For phases where the diffusion coefficient is concentration-dependent, or With component concentration The relationship can be shown in formula (6).

[0067]

[0068] in, This represents the diffusion coefficient of component i in phase k. This can represent the component concentration of component A in phase k. This can represent the component concentration of component C in phase k. It can represent the component concentration of component B in phase k, A m C n B m C n Both can be the chemical formulas of compounds, and m and n can both be stoichiometric ratios in ternary compounds. It can be represented that element i is in A m C n The diffusion coefficient in the compound, It can be represented that element i is in B m C n The diffusion coefficient in the compound, With component concentration The relationship can also be shown in formula (6), where i in formula (6) needs to be replaced with j.

[0069] According to embodiments of this disclosure, formulas (1) to (6) characterize the component concentration changes and phase interface movement during the diffusion phase transition process and the tracer diffusion coefficients of each component in the ternary compound. The relationship between them. Given the initial tracer diffusion coefficients of each component and the Gibbs free energy functions of each phase in the diffusion couple, the coupling changes of component concentration and chemical potential in the diffusion couple and the growth law of the phases can be solved.

[0070] According to an embodiment of this disclosure, operation S105 may further include the following operations: determining the component concentration difference and thickness difference based on the component concentration label value and component concentration evaluation value, as well as the thickness label value and thickness evaluation value; constructing an objective function based on the component concentration difference and component concentration label value, and the thickness difference and thickness label value; iteratively solving the objective function for the global minimum value based on the differential evolution algorithm; and confirming that the objective function satisfies the preset convergence condition when the minimum value is obtained through iterative solution.

[0071] According to embodiments of this disclosure, based on the diffusion phase transition model, when the component concentration, interface position, and Gibbs free energy function of each phase are known during the diffusion process, the tracer diffusion coefficient of each component can be determined by the equation inversion solution method. Specifically, an objective function related to the tracer diffusion coefficient of each component can be constructed based on the component concentration label value obtained from the diffusion experiment, the thickness label value obtained from the interface position of each phase, and the component concentration evaluation value and thickness evaluation value determined by formulas (1) to (6). The objective function can be as shown in formula (7).

[0072]

[0073] Where ∈ can represent the objective function value obtained by the objective function, k can represent the phase, N can represent the number of phases, i can represent the component, j is the number of points measured in formula (7), and Num can represent the total number of measurement data points. and Let $\frac{i}{j}$ represent the component concentration label value and component concentration assessment value of component $i$ at the $j$-th point within phase $k$. and These represent the thickness label value and thickness evaluation value of the k-th phase (k = 2, ..., N-1), respectively. and It can be determined using formula (8). and The diffusion phase transition model constructed by formulas (1) to (6) can be obtained by solving the diffusion model constructed by formulas (1) to (6) after giving the initial component tracer diffusion coefficient. Specifically, It can be from formulas (1) to (6) It can be determined using formula (8). It can represent the concentration difference of components. It can represent the thickness difference.

[0074] d k =s k，k+1 -s k-1，k (8)

[0075] Where, d k It can represent or s k，k+1 This can represent the interface position between phase k and phase k+1, which can be the interface position before or after the diffusion phase transition. k-1，k It can represent the interface position between the k-1 phase and the k phase, which can be the interface position before or after the diffusion phase transition, and the thickness can be the difference between the interface positions of the two sides of the phase.

[0076] According to embodiments of this disclosure, a differential evolution algorithm with global optimization capability can be used to iteratively solve for the global minimum value of the objective function shown in formula (7). When the objective function converges to the minimum value, the tracer diffusion coefficients of each component in all linear compounds in the diffusion system can be obtained.

[0077] According to embodiments of this disclosure, for ternary linear compounds, since there are components with and without concentration gradients, by combining chemical potential and concentration, and by establishing a state equation that couples the changes in concentration and chemical potential and a component diffusion equation based on the chemical potential gradient, the limitations of the current concentration gradient and chemical potential gradient-based models can be overcome, and a description of the diffusion behavior of all components can be achieved.

[0078] According to embodiments of this disclosure, by combining a diffusion phase transition model and a method for solving component tracer diffusion coefficients, the tracer diffusion coefficients of multiple components (including components with variable and fixed concentrations) within multiple ternary compounds in a diffusion couple are determined. The method for determining component diffusion coefficients in ternary compounds based on functional coatings provided in this disclosure addresses the problem that diffusion models based on concentration gradients and chemical potential gradients are not applicable to ternary compound systems. It constructs a multi-component diffusion phase transition model with coupled changes in chemical potential and concentration, enabling quantitative analysis of concentration changes and phase growth in ternary compound systems during diffusion. Based on the diffusion phase transition model, a method for determining the tracer diffusion coefficients of each component in ternary compound systems based on functional coatings is developed. The method provided in this disclosure at least partially overcomes the limitation of related technologies in effectively obtaining the tracer diffusion coefficients of all components in ternary compounds, thereby obtaining accurate component tracer diffusion coefficients, improving the accuracy of characterizing the diffusion phase transition process of functional coatings, and achieving the technical effects of improving the performance and extending the service life of functional coatings. This method also has practical feasibility and applicability.

[0079] Figure 2 A flowchart illustrating a method for preparing a ternary compound according to an embodiment of the present disclosure is shown.

[0080] According to embodiments of this disclosure, the preparation process of the ternary compound may include operations S201 to S203.

[0081] In operation S201, the raw materials for the functional coating are hot-pressed into a block material at a preset temperature.

[0082] In operation S202, the matrix material and bulk material are subjected to heat preservation treatment under preset conditions to obtain a ternary compound diffusion couple.

[0083] In operation S203, the ternary compound diffusion couple is vacuum annealed to obtain a ternary compound based on a functional coating.

[0084] According to embodiments of this disclosure, a ternary compound diffusion couple refers to a layered structure composed of multiple ternary compounds. To prepare the diffusion couple, MoSi2 powder is hot-pressed into a block with a diameter of 30 mm at a preset temperature, such as 1600°C. Then, the Nb matrix and the MoSi2 block are held at 1400°C for 5 hours under preset conditions, such as a pressure of 2–5 MPa, to prepare the ternary compound diffusion couple. The ternary compound diffusion couple is then subjected to a vacuum annealing experiment. Specifically, the prepared diffusion couple can be placed in a vacuum annealing furnace at a vacuum degree of 10... -3 The Nb-MoSi2 ternary compound was annealed at 1200℃ for 20 h to obtain the prepared ternary compound.

[0085] According to embodiments of this disclosure, annealing a ternary compound diffusion couple for an extended period using a high-temperature vacuum furnace can induce component diffusion and phase transition behavior in the ternary compound.

[0086] According to embodiments of this disclosure, a ternary compound based on a functional coating is mechanically ground and mechanically polished to obtain a ternary compound for metallographic testing. Specifically, the diffusion couple of the annealed ternary compound is sequentially mechanically ground and mechanically polished to complete the metallographic preparation.

[0087] According to embodiments of this disclosure, processing multiple phases in a ternary compound system based on a preset processing method to obtain the thickness label value of each phase may include the following operations: determining the phase interface positions of the multiple phases of the ternary compound based on the cross-section of the functional coating; and determining the thickness label value of each phase based on the phase interface positions on both sides of each phase.

[0088] According to an embodiment of this disclosure, operation S101 may further include the following operations: performing point-by-point scanning of the ternary compound and calibrating it using a pure element sample to obtain the component concentration distribution result; and determining the component concentration label value based on the component concentration distribution result.

[0089] According to embodiments of this disclosure, after metallographic preparation, an electron microscope probe can be used to measure the component concentration distribution and interface positions of each phase in the cross-section of the diffusion couple after annealing. Specifically, a scanning electron microscope is used to observe the cross-section of the functional coating after annealing to determine the phase interface positions and thickness label values. Point-by-point scanning at 1 μm intervals is performed using an electron probe, and calibration is performed using pure elemental samples to complete the measurement of component concentration distribution and determine component concentration label values.

[0090] According to embodiments of this disclosure, for the interdiffusion region composed of the (Nb,Mo)₅Si₃ single-phase region and the (Mo,Nb)₅Si₃ single-phase region and three phase interfaces, component diffusion sub-models can be established for the two single-phase regions respectively, and phase interface migration sub-models can be established for the three phase interfaces. The component diffusion sub-models can be as shown in formulas (8) and (9), and the phase interface migration sub-models can be as shown in formula (10).

[0091]

[0092]

[0093]

[0094] Where x represents the component diffusion position, and t can represent the component diffusion time. This can represent the concentration of component i (i = Nb, Mo, Si) in phase k. The chemical diffusion flux of component i in phase k in a fixed coordinate system can be expressed as a function of the chemical potential gradient of each component, as shown in formula (5). k-1，k It can represent the position of the interface between phase k-1 and phase k, s k，k+1 It can represent the position of the interface between phase k and phase k+1. This can represent the concentration of component i (i = Nb, Mo, Si) at the right end face of phase k. This can represent the concentration of component i (i = Nb, Mo, Si) at the left end face of phase k+1. It can represent the moving speed at the interface between phase k and phase k+1. This can represent the chemical potential gradient of component i (i = Nb, Mo, Si) on the right-hand side of phase k. It can represent the chemical potential gradient of component i (i = Nb, Mo, Si) at the left end face of phase k+1.

[0095] According to embodiments of this disclosure, in two linear compounds, (Nb,Mo)₅Si₃ and (Mo,Nb)₅Si₃, a total of five tracer diffusion coefficients need to be determined. These five tracer diffusion coefficients include... Specifically, objective functions related to the five tracer diffusion coefficients can be constructed based on the concentration distribution and phase interface positions obtained from diffusion experiments. The constructed objective functions can be shown in Equation (11).

[0096]

[0097] Where ∈ can represent the objective function value obtained from the objective function, k can represent the phase, i can represent the component, j is the number of points measured in formula (7), and Num can represent the total number of actual measurement data points. and Let $\frac{i}{j}$ represent the component concentration label value and component concentration assessment value of component $i$ at the $j$-th point within phase $k$. and These represent the thickness label value and thickness evaluation value of the k-th phase (k=2,3), respectively. and It can be determined using formula (8). and The diffusion phase transition model constructed by formulas (1) to (6) can be obtained by solving the diffusion model constructed by formulas (1) to (6) after giving the initial component tracer diffusion coefficient. Specifically, It can be from formulas (1) to (6) It can be determined using formula (8). It can represent the concentration difference of components. It can represent the thickness difference.

[0098] According to embodiments of this disclosure, a differential evolution algorithm with global optimization capability can be used to iteratively solve the objective function shown in equation (11) for its global minimum. When the objective function converges to its minimum value, the five component tracer diffusion coefficients related to component concentration and crystal phase can be obtained.

[0099] According to embodiments of this disclosure, a method for determining the tracer diffusion coefficient of components in a ternary compound system is provided. This method involves high-temperature annealing of a ternary compound diffusion couple in a vacuum annealing furnace, and measuring the component concentration distribution and phase interface position before and after annealing using an electron microprobe. Specifically, it measures the component concentration and phase distribution of the ternary compound diffusion couple before and after the diffusion phase transition. A multi-component diffusion phase transition kinetic model coupling the chemical potential and concentration changes within the ternary compound is established to describe the diffusion behavior of components with fixed and variable concentrations. Based on the diffusion phase transition model, a method for solving the tracer diffusion coefficient of components is established, enabling the measurement of the tracer diffusion coefficients of multiple components within the ternary compound. This overcomes the problem that existing measurement methods cannot obtain the concentration-dependent tracer diffusion coefficients of each component within a ternary compound.

[0100] It should be noted that, unless it is explicitly stated that there is a sequential order of execution between different operations, or that there is a sequential order of execution between different operations in terms of technical implementation, the execution order between multiple operations may not be significant, and multiple operations may be executed simultaneously.

[0101] Based on the above-described method for determining the diffusion coefficient of components in ternary compounds based on functional coatings, this disclosure also provides an apparatus for determining the diffusion coefficient of components in ternary compounds based on functional coatings. The following will be combined with... Figure 3 The device is described in detail.

[0102] Figure 3 The diagram schematically illustrates a structural block diagram of an apparatus for determining the diffusion coefficient of components in a ternary compound based on a functional coating, according to an embodiment of the present disclosure.

[0103] like Figure 3 As shown, the device 300 for determining the diffusion coefficient of components in a ternary compound based on a functional coating in this embodiment includes a first processing module 310, a second processing module 320, an acquisition module 330, a first input module 340, a first adjustment module 350, and a first determination module 360.

[0104] The first processing module 310 is used to process multiple components in a ternary compound based on a preset processing method to obtain the component concentration label value of each component in the ternary compound. The ternary compound is determined from a ternary compound system composed of a functional coating and a matrix material. The ternary compound system also includes multiple phases.

[0105] The second processing module 320 is used to process multiple phases in the ternary compound system based on a preset processing method to obtain the thickness label value of each phase.

[0106] The acquisition module 330 is used to acquire the initial diffusion coefficient of each component in the ternary compound.

[0107] The first input module 340 is used to input the initial diffusion coefficient into the diffusion phase transition model so as to output the component concentration assessment value and the thickness assessment value of each phase based on the relationship between the initial diffusion coefficient and the component chemical potential, the coupling relationship between the component chemical potential and the component concentration, and the relationship between the initial diffusion coefficient and the phase interface migration velocity of the phase in which the component is located.

[0108] The first adjustment module 350 is used to iteratively adjust the initial diffusion coefficient based on the component concentration label value, component concentration evaluation value, thickness label value, and thickness evaluation value until the objective function constructed based on the component concentration label value, component concentration evaluation value, thickness label value, and thickness evaluation value satisfies the preset convergence condition.

[0109] The first determining module 360 ​​is used to determine the diffusion coefficient obtained when the objective function satisfies the preset convergence condition as the component diffusion coefficient.

[0110] According to the method, apparatus, device, medium, and program product for determining the component diffusion coefficient in a ternary compound based on a functional coating provided in this disclosure, the component diffusion coefficient is obtained by obtaining the component concentration label value and thickness label value of each phase, as well as the component concentration evaluation value and thickness evaluation value obtained based on the initial diffusion coefficient, and by iteratively adjusting the initial diffusion coefficient based on the component concentration label value, component concentration evaluation value, thickness label value, and thickness evaluation value. Because the component evaluation value and thickness evaluation value are obtained based on the relationship between the initial diffusion coefficient and the component chemical potential, the coupling relationship between the component chemical potential and the component concentration, and the relationship between the initial diffusion coefficient and the phase interface migration velocity of the component phase, and the final component diffusion coefficient is obtained based on the component concentration label value, component concentration evaluation value, thickness label value, and thickness evaluation value, this method eliminates the limitation of needing to use concentration gradient and chemical formula gradient to determine the component diffusion coefficient. It at least partially overcomes the situation in related technologies where it is impossible to take into account the simultaneous presence of components with and without concentration gradients in ternary compounds. As a result, it can obtain accurate component tracer diffusion coefficients, improve the accuracy of characterizing the diffusion phase transition process of functional coatings, and achieve the technical effects of improving the performance of functional coatings and extending the service life of functional coatings.

[0111] According to embodiments of this disclosure, the first input module may further include a first input unit, a first determining unit, and a second determining unit.

[0112] The first input unit is used to input the initial diffusion coefficients into the component diffusion sub-model.

[0113] The first determining unit is used to construct the component chemical formula gradient based on the initial diffusion coefficient and to determine the relationship between the initial diffusion coefficient and the component chemical potential.

[0114] The second determining unit is used to determine the coupling relationship between component chemical potential and component concentration based on component diffusion time, component diffusion location, and component chemical potential gradient.

[0115] According to embodiments of this disclosure, the first input module may further include a second input unit, a third determining unit, and a fourth determining unit.

[0116] The second input unit is used to input the initial diffusion coefficient into the phase interface migration sub-model.

[0117] The third determining unit is used to determine the correlation between the initial diffusion coefficient and the phase interface movement based on the phase interface migration velocity of the phase in which the component is located and the component chemical potential gradient, wherein the component chemical potential gradient is constructed based on the initial diffusion coefficient.

[0118] The fourth determining unit is used to determine the thickness assessment value of each phase based on the correlation relationship.

[0119] According to embodiments of this disclosure, the apparatus for determining the diffusion coefficient of components in a ternary compound based on a functional coating may further include a hot pressing apparatus, a heat preservation apparatus, and an annealing apparatus.

[0120] Hot pressing equipment is used to hot press the raw materials for functional coatings into bulk materials at a preset temperature;

[0121] Thermal insulation equipment is used to thermally insulate matrix materials and bulk materials under preset conditions to obtain ternary compound diffusion couples;

[0122] Annealing equipment is used for vacuum annealing of ternary compound diffusion couples to obtain ternary compounds based on functional coatings.

[0123] According to embodiments of this disclosure, the apparatus for determining the diffusion coefficient of components in a ternary compound based on a functional coating may further include a grinding device.

[0124] Grinding equipment is used to mechanically grind and polish ternary compounds based on functional coatings to obtain ternary compounds for metallographic testing.

[0125] According to embodiments of this disclosure, the second processing module may further include a fifth determining unit and a sixth determining unit.

[0126] The fifth determining unit is used to determine the phase interface positions of multiple phases of the ternary compound based on the cross-section of the functional coating.

[0127] The sixth determining unit is used to determine the thickness label value of each phase based on the phase interface positions on both sides of each phase among multiple phases.

[0128] According to embodiments of this disclosure, the first processing module may further include a scanning unit and a seventh determining unit.

[0129] The scanning unit is used to perform point-by-point scanning of the ternary compound and to calibrate it using pure elemental samples to obtain the component concentration distribution results.

[0130] The seventh determination unit is used to determine the component concentration label value based on the component concentration distribution results.

[0131] According to embodiments of this disclosure, the first adjustment module may further include an eighth determining unit, a construction unit, a solving unit, and a ninth determining unit.

[0132] The eighth determining unit is used to determine the component concentration difference and thickness difference based on the component concentration label value and component concentration assessment value, as well as the thickness label value and thickness assessment value.

[0133] The construction unit is used to jointly construct the objective function based on the component concentration difference and component concentration label value, as well as the thickness difference and thickness label value.

[0134] The solution unit is used to iteratively find the global minimum value of the objective function based on the differential evolution algorithm.

[0135] The ninth determining unit is used to confirm that the objective function satisfies the preset convergence condition when the minimum value is obtained through iterative solution.

[0136] According to embodiments of this disclosure, the apparatus for determining the diffusion coefficient of components in a ternary compound based on a functional coating may further include a first building module and a second building module.

[0137] The first building module is used to construct a component diffusion sub-model based on the single-phase regions of (Nb,Mo)5Si3 and (Mo,Nb)5Si3.

[0138] The second building module is used to construct a phase interface migration sub-model based on multiple phase interfaces.

[0139] According to embodiments of this disclosure, any plurality of modules among the first processing module 310, the second processing module 320, the acquisition module 330, the first input module 340, the first adjustment module 350, and the first determination module 360 ​​can be combined into one module, or any one of these modules can be split into multiple modules. Alternatively, at least part of the functionality of one or more of these modules can be combined with at least part of the functionality of other modules and implemented in one module. According to embodiments of this disclosure, at least one of the first processing module 310, the second processing module 320, the acquisition module 330, the first input module 340, the first adjustment module 350, and the first determination module 360 ​​can be at least partially implemented as hardware circuitry, such as a field-programmable gate array (FPGA), a programmable logic array (PLA), a system-on-a-chip, a system-on-a-substrate, a system-on-package, an application-specific integrated circuit (ASIC), or implemented in hardware or firmware by any other reasonable means of integrating or packaging the circuitry, or implemented in any one of software, hardware, and firmware methods, or in a suitable combination of any of these methods. Alternatively, at least one of the first processing module 310, the second processing module 320, the acquisition module 330, the first input module 340, the first adjustment module 350, and the first determination module 360 ​​can be at least partially implemented as a computer program module, which can perform corresponding functions when the computer program module is run.

[0140] It should be noted that the apparatus for determining the diffusion coefficient of components in a ternary compound based on a functional coating in the embodiments of this disclosure corresponds to the method for determining the diffusion coefficient of components in a ternary compound based on a functional coating in the embodiments of this disclosure. For a detailed description of the apparatus for determining the diffusion coefficient of components in a ternary compound based on a functional coating, please refer to the method for determining the diffusion coefficient of components in a ternary compound based on a functional coating, which will not be repeated here.

[0141] Figure 4 A block diagram schematically illustrates an electronic device suitable for implementing a method for determining the diffusion coefficient of components in a ternary compound based on a functional coating, according to embodiments of the present disclosure.

[0142] like Figure 4 As shown, an electronic device 400 according to an embodiment of the present disclosure includes a processor 401, which can perform various appropriate actions and processes according to a program stored in a read-only memory (ROM) 402 or a program loaded from a storage portion 408 into a random access memory (RAM) 403. The processor 401 may include, for example, a general-purpose microprocessor (e.g., a CPU), an instruction set processor and / or an associated chipset and / or a special-purpose microprocessor (e.g., an application-specific integrated circuit (ASIC)), etc. The processor 401 may also include onboard memory for caching purposes. The processor 401 may include a single processing unit or multiple processing units for performing different actions of the method flow according to an embodiment of the present disclosure.

[0143] RAM 403 stores various programs and data required for the operation of electronic device 400. Processor 401, ROM 402, and RAM 403 are interconnected via bus 404. Processor 401 performs various operations of the method flow according to embodiments of the present disclosure by executing programs in ROM 402 and / or RAM 403. It should be noted that the programs may also be stored in one or more memories other than ROM 402 and RAM 403. Processor 401 may also perform various operations of the method flow according to embodiments of the present disclosure by executing programs stored in said one or more memories.

[0144] According to embodiments of this disclosure, the electronic device 400 may further include an input / output (I / O) interface 405, which is also connected to a bus 404. The electronic device 400 may also include one or more of the following components connected to the I / O interface 405: an input section 406 including a keyboard, mouse, etc.; an output section 407 including a cathode ray tube (CRT), liquid crystal display (LCD), etc., and a speaker, etc.; a storage section 408 including a hard disk, etc.; and a communication section 409 including a network interface card such as a LAN card, modem, etc. The communication section 409 performs communication processing via a network such as the Internet. A drive 410 is also connected to the I / O interface 405 as needed. A removable medium 411, such as a disk, optical disk, magneto-optical disk, semiconductor memory, etc., is installed on the drive 410 as needed so that computer programs read from it can be installed into the storage section 408 as needed.

[0145] This disclosure also provides a computer-readable storage medium, which may be included in the device / apparatus / system described in the above embodiments; or it may exist independently and not assembled into the device / apparatus / system. The computer-readable storage medium carries one or more programs that, when executed, implement the method according to the embodiments of this disclosure.

[0146] According to embodiments of this disclosure, the computer-readable storage medium may be a non-volatile computer-readable storage medium, such as, but not limited to: portable computer disks, hard disks, random access memory (RAM), read-only memory (ROM), erasable programmable read-only memory (EPROM or flash memory), portable compact disk read-only memory (CD-ROM), optical storage devices, magnetic storage devices, or any suitable combination thereof. In this disclosure, the computer-readable storage medium may be any tangible medium that contains or stores a program that can be used by or in conjunction with an instruction execution system, apparatus, or device. For example, according to embodiments of this disclosure, the computer-readable storage medium may include ROM 402 and / or RAM 403 and / or one or more memories other than ROM 402 and RAM 403 described above.

[0147] Embodiments of this disclosure also include a computer program product comprising a computer program containing program code for performing the methods shown in the flowchart. When the computer program product is run on a computer system, the program code enables the computer system to implement the method for determining the component diffusion coefficients in ternary compounds based on functional coatings provided in embodiments of this disclosure.

[0148] When the computer program is executed by the processor 401, it performs the functions defined in the system / apparatus of this disclosure embodiments. According to embodiments of this disclosure, the systems, apparatuses, modules, units, etc., described above can be implemented by computer program modules.

[0149] In one embodiment, the computer program may rely on a tangible storage medium such as an optical storage device or a magnetic storage device. In another embodiment, the computer program may also be transmitted and distributed in the form of signals over a network medium, and downloaded and installed via communication section 409, and / or installed from removable medium 411. The program code contained in the computer program can be transmitted using any suitable network medium, including but not limited to: wireless, wired, etc., or any suitable combination thereof.

[0150] In such an embodiment, the computer program can be downloaded and installed from a network via communication section 409, and / or installed from removable medium 411. When the computer program is executed by processor 401, it performs the functions defined in the system of this disclosure embodiment. According to embodiments of this disclosure, the systems, devices, apparatuses, modules, units, etc., described above can be implemented by computer program modules.

[0151] According to embodiments of this disclosure, program code for executing the computer programs provided in embodiments of this disclosure can be written in any combination of one or more programming languages. Specifically, these computational programs can be implemented using high-level procedural and / or object-oriented programming languages, and / or assembly / machine languages. Programming languages ​​include, but are not limited to, languages ​​such as Java, C++, Python, "C", or similar programming languages. The program code can execute entirely on the user's computing device, partially on the user's device, partially on a remote computing device, or entirely on a remote computing device or server. In cases involving remote computing devices, the remote computing device can be connected to the user's computing device via any type of network, including a local area network (LAN) or a wide area network (WAN), or it can be connected to an external computing device (e.g., via the Internet using an Internet service provider).

[0152] The flowcharts and block diagrams in the accompanying drawings illustrate the architecture, functionality, and operation of possible implementations of systems, methods, and computer program products according to various embodiments of this disclosure. In this regard, each block in a flowchart or block diagram may represent a module, segment, or portion of code containing one or more executable instructions for implementing a specified logical function. It should also be noted that in some alternative implementations, the functions indicated in the blocks may occur in a different order than those indicated in the drawings. For example, two consecutively indicated blocks may actually be executed substantially in parallel, and they may sometimes be executed in reverse order, depending on the functions involved. It should also be noted that each block in a block diagram or flowchart, and combinations of blocks in a block diagram or flowchart, may be implemented using a dedicated hardware-based system that performs the specified function or operation, or using a combination of dedicated hardware and computer instructions.

[0153] Those skilled in the art will understand that the features described in the various embodiments and / or claims of this disclosure can be combined or combined in various ways, even if such combinations or combinations are not explicitly described in this disclosure. In particular, the features described in the various embodiments and / or claims of this disclosure can be combined or combined in various ways without departing from the spirit and teachings of this disclosure. All such combinations and / or combinations fall within the scope of this disclosure.

[0154] The embodiments of this disclosure have been described above. However, these embodiments are for illustrative purposes only and are not intended to limit the scope of this disclosure. Although various embodiments have been described above, this does not mean that the measures in the various embodiments cannot be used advantageously in combination. The scope of this disclosure is defined by the appended claims and their equivalents. Various substitutions and modifications can be made by those skilled in the art without departing from the scope of this disclosure, and all such substitutions and modifications should fall within the scope of this disclosure.

Claims

1. A method for determining the diffusion coefficient of components in a ternary compound based on a functional coating, comprising: Multiple components in a ternary compound are processed based on a preset processing method to obtain the component concentration label value of each component in the ternary compound. The ternary compound is determined from a ternary compound system composed of a functional coating and a matrix material, and the ternary compound system also includes multiple phases. Based on the preset processing method, the multiple phases in the ternary compound system are processed to obtain the thickness label value of each phase. Obtain the initial diffusion coefficient of each component in the ternary compound; The initial diffusion coefficient is input into the diffusion phase transition model to output component concentration assessment values ​​and thickness assessment values ​​for each phase based on the relationship between the initial diffusion coefficient and component chemical potential, the coupling relationship between component chemical potential and component concentration, and the relationship between the initial diffusion coefficient and the phase interface migration velocity of the component phase. The diffusion phase transition model includes a component diffusion sub-model and a phase interface migration sub-model. The component diffusion sub-model is constructed based on component diffusion time, component diffusion location, and component chemical potential gradient. The phase interface migration sub-model is constructed based on the phase interface migration velocity of the component phase and the component chemical potential gradient. The initial diffusion coefficient is iteratively adjusted based on the component concentration label value, the component concentration evaluation value, the thickness label value, and the thickness evaluation value until the objective function constructed based on the component concentration label value, the component concentration evaluation value, the thickness label value, and the thickness evaluation value satisfies the preset convergence condition. The diffusion coefficient obtained when the objective function satisfies the preset convergence condition is determined as the component diffusion coefficient.

2. The method according to claim 1, wherein, The step of inputting the initial diffusion coefficient into the diffusion phase transition model, so as to determine the relationship between the initial diffusion coefficient and the component chemical potential, and the coupling relationship between the component chemical potential and the component concentration, includes: The initial diffusion coefficient is input into the component diffusion sub-model; Construct the component chemical potential gradient based on the initial diffusion coefficient, and determine the relationship between the initial diffusion coefficient and the component chemical potential; The coupling relationship between the component chemical potential and the component concentration is determined based on the component diffusion time, the component diffusion location, and the component chemical potential gradient.

3. The method according to claim 1 or 2, wherein, The relationship between the initial diffusion coefficient and the phase interface migration velocity of the phase containing the component is determined as follows: The initial diffusion coefficient is input into the phase interface migration sub-model; The correlation between the initial diffusion coefficient and the phase interface migration is determined based on the phase interface migration velocity of the phase in which the component is located and the chemical potential gradient of the component, wherein the chemical potential gradient of the component is constructed based on the initial diffusion coefficient. Based on the aforementioned correlation, the thickness assessment value for each phase is determined.

4. The method according to claim 1 or 2, wherein, The ternary compound is prepared in the following manner: The raw material for the functional coating is hot-pressed into a block material at a preset temperature; The matrix material and the bulk material are subjected to heat preservation treatment under preset conditions to obtain a ternary compound diffusion couple; The ternary compound diffusion couple was vacuum annealed to obtain a ternary compound based on a functional coating.

5. The method according to claim 4, further comprising: The ternary compound based on the functional coating is mechanically ground and mechanically polished to obtain a ternary compound for metallographic testing.

6. The method according to claim 1, wherein, The process of processing the multiple phases in the ternary compound system based on the preset processing method to obtain the thickness label value of each of the multiple phases includes: Based on the cross-section of the functional coating, determine the phase interface positions of the plurality of phases of the ternary compound; The thickness label value of each phase is determined based on the phase interface positions on both sides of each phase among the plurality of phases.

7. The method according to claim 6, wherein, The process of processing multiple components in the ternary compound based on a preset processing method to obtain the component concentration label value of each of the multiple components in the ternary compound includes: The ternary compound was scanned point by point and calibrated using pure elemental samples to obtain the component concentration distribution results; Based on the component concentration distribution results, the component concentration label value is determined.

8. The method according to claim 1 or 2, wherein, The objective function constructed based on the component concentration label value, the component concentration evaluation value, the thickness label value, and the thickness evaluation value satisfies the preset convergence condition, including: Based on the component concentration label value and the component concentration evaluation value, as well as the thickness label value and the thickness evaluation value, the component concentration difference and the thickness difference are determined respectively. The objective function is constructed by combining the component concentration difference and the component concentration label value, as well as the thickness difference and the thickness label value. The objective function is iteratively solved for its global minimum value based on the differential evolution algorithm. If the minimum value is obtained through iterative solution, the objective function is confirmed to satisfy the preset convergence condition.

9. The method according to claim 1, wherein, The functional coating comprises at least one of the following: MoSi2, NiAl, NbSi2, and the matrix material comprises at least one of the following: Nb, Mo.

10. The method according to claim 9, wherein, When the functional coating comprises MoSi2 and the matrix material comprises Nb, the ternary compound comprises (Nb,Mo)5Si3 and (Mo,Nb)5Si3, wherein both (Nb,Mo)5Si3 and (Mo,Nb)5Si3 are single-phase regions.

11. The method according to claim 10, wherein, The component diffusion coefficients include the diffusion coefficients of Nb, Mo, and Si in (Nb,Mo)₅Si₃ and the diffusion coefficients of Nb, Mo, and Si in (Mo,Nb)₅Si₃.

12. The method according to claim 11, wherein, Multiple phase interfaces are determined based on the single-phase region of (Nb,Mo)5Si3 and the single-phase region of (Mo,Nb)5Si3. The method further includes: Based on the single-phase region of (Nb,Mo)5Si3 and the single-phase region of (Mo,Nb)5Si3, a component diffusion sub-model is constructed. A phase interface migration sub-model is constructed based on multiple phase interfaces.

13. An apparatus for determining the diffusion coefficient of a component in a ternary compound based on a functional coating, comprising: The first processing module is used to process multiple components in a ternary compound based on a preset processing method to obtain the component concentration label value of each component in the ternary compound. The ternary compound is determined from a ternary compound system composed of a functional coating and a matrix material, and the ternary compound system also includes multiple phases. The second processing module is used to process the multiple phases in the ternary compound system based on the preset processing method to obtain the thickness label value of each phase in the multiple phases; The acquisition module is used to acquire the initial diffusion coefficient of each component in the ternary compound; The first input module is used to input the initial diffusion coefficient into the diffusion phase transition model, so as to output the component concentration assessment value and the thickness assessment value of each phase based on the relationship between the initial diffusion coefficient and the component chemical potential, the coupling relationship between the component chemical potential and the component concentration, and the relationship between the initial diffusion coefficient and the phase interface migration velocity of the phase in which the component is located. The diffusion phase transition model includes a component diffusion sub-model and a phase interface migration sub-model; the component diffusion sub-model is constructed based on the component diffusion time, component diffusion location, and component chemical potential gradient; the phase interface migration sub-model is constructed based on the phase interface migration velocity of the phase in which the component is located and the component chemical potential gradient. The first adjustment module is used to iteratively adjust the initial diffusion coefficient according to the component concentration label value, the component concentration evaluation value, the thickness label value, and the thickness evaluation value, until the objective function constructed according to the component concentration label value, the component concentration evaluation value, the thickness label value, and the thickness evaluation value satisfies the preset convergence condition; The first determining module is used to determine the diffusion coefficient obtained when the objective function satisfies the preset convergence condition as the component diffusion coefficient.

14. An electronic device, comprising: One or more processors; Storage device for storing one or more programs. When the one or more programs are executed by the one or more processors, the one or more processors perform the method according to any one of claims 1 to 12.

15. A computer-readable storage medium having stored thereon executable instructions that, when executed by a processor, cause the processor to perform the method according to any one of claims 1 to 12.

16. A computer program product comprising a computer program that, when executed by a processor, implements the method according to any one of claims 1 to 12.

Images