CN116227252B - Method for determining atomic distribution on surface of noble metal high-entropy alloy based on linear function - Google Patents
Method for determining atomic distribution on surface of noble metal high-entropy alloy based on linear function Download PDFInfo
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Abstract
The application provides a method for determining atomic distribution of a noble metal high-entropy alloy surface based on a linear function, which comprises the steps of compiling a script by using an atomic simulation environment to obtain a noble metal high-entropy alloy surface structure model, and determining a calculation energy convergence effect of calculating the noble metal high-entropy alloy surface structure by using a VASP test set of parameter settings to obtain the surface energy of the noble metal high-entropy alloy surface structure; constructing a description Fu describing the electronic properties of the noble metal high-entropy alloy, and optimizing based on a machine learning algorithm to obtain a surface description Fu surface And combining the linear function of the surface property of the noble metal high-entropy alloy with the surface information of the noble metal high-entropy alloy to obtain the surface atomic distribution information of the noble metal high-entropy alloy so as to solve the problem that the surface atomic distribution of the high-entropy alloy cannot be accurately detected.
Description
Technical Field
The application relates to the field of data processing methods, in particular to a method for determining atomic distribution on the surface of a noble metal high-entropy alloy based on a linear function.
Background
High entropy alloys have a variety of unique surface properties such as inherent ductile stress, brittle fracture, sintering rate, growth rate, surface segregation, grain boundary formation, adsorption strength, catalytic behavior, and the like. High entropy alloys with different structures show different structural properties and functional characteristics. The change of the microstructure can effectively regulate and control the material performance in a certain range. The high-entropy alloy element has complex composition, and on the premise of a certain composition, how to distribute various elements in a crystal lattice is a structural problem, and the performance is also influenced. Because of the different atomic characteristics of the constituent elements in the high-entropy alloy, element distribution non-uniformity on an atomic scale may be commonly present, and thus, surface atomic distribution detection of the high-entropy alloy is of great importance.
Because the complex alloying effect in the high-entropy alloy system is derived from the diversity and randomness of the distribution of various alloy elements and the synergistic effect among the alloy elements, the existing model can describe only the average surface energy of the high-entropy alloy, and the structure-activity relationship between the surface atomic distribution can not be quantitatively detected and the surface structure can not be described point to point.
Disclosure of Invention
In order to solve the problem that the atomic distribution of the high-entropy alloy surface cannot be accurately detected, the application provides a method for determining the atomic distribution of the noble metal high-entropy alloy surface based on a linear function, which comprises the following steps:
based on the lattice constant of the noble metal high-entropy alloy, writing a script by using an atomic simulation environment to obtain a surface structure model of the noble metal high-entropy alloy;
based on the noble metal high-entropy alloy surface structure model, a plurality of sets of parameter settings are tested by using a VASP, the calculated energy convergence effect of the noble metal high-entropy alloy surface structure is determined and calculated, and the surface energy of the noble metal high-entropy alloy surface structure is obtained;
constructing a description Fu describing electronic properties of the noble metal high-entropy alloy based on intrinsic characteristics and element concentration information of elements synthesizing the noble metal high-entropy alloy;
optimizing the noble metal high-entropy alloy surface structure model to establish a surface description Fu surface Linear function with surface energy;
fu based on the surface description surface Linear function with surface energy and machine learning algorithm to obtain a surface description Fu surface Linear function with noble metal high entropy alloy surface properties;
according to the surface description Fu surface Linear function of surface properties of high entropy alloy with noble metal and noble metalAnd obtaining the surface atomic distribution information of the noble metal high-entropy alloy according to the surface information of the high-entropy alloy.
The intrinsic description Fu for describing the noble metal high-entropy alloy and the geometric average form for describing the atomic information in the surface layer are provided, and based on the intrinsic description Fu, the structure-activity relationship between the intrinsic description and the surface property of the noble metal high-entropy alloy is established, so that the atomic distribution of the noble metal high-entropy alloy can be detected.
The script of open source code Atomic Simulation Environment (ASE) written by Python language can be used for reading and analyzing element information of the surface structure of the noble metal high-entropy alloy and calculating various energies, and constructing descriptors of various layers through the property of the layered surface structure; the noble metal high-entropy alloy surface structure model with various orientations can be constructed in different random modes, and the concentration and the atomic position of each layer of alloy element can be accurately controlled; the atomic distribution information on the surface of the noble metal high-entropy alloy can be accurately detected according to the orientation and energy information of the noble metal high-entropy alloy.
According to the method for determining the atomic distribution on the surface of the noble metal high-entropy alloy based on the linear function, a simple analytical model based on the element types, the concentration and the intrinsic properties of the surface alloy atoms is adopted to construct a functional relation, so that quantitative point-to-point description of complex high-entropy surface energy is realized, the interpretability of the model is ensured, the structure-activity relation of the surface of the noble metal high-entropy alloy is conveniently understood, and the problem that the atomic distribution on the surface of the high-entropy alloy cannot be accurately detected is solved.
Optionally, the method for determining the atomic distribution on the surface of the noble metal high-entropy alloy based on the linear function further comprises the following steps:
based on the lattice constants of the elements of the synthesized noble metal high-entropy alloy and the proportion of the elements in the noble metal high-entropy alloy, the lattice constant range of the noble metal high-entropy alloy is obtained through the Vigab law.
Optionally, the obtaining the precious metal high-entropy alloy surface structure model includes:
based on lattice constants of the noble metal high-entropy alloy, writing a script by using an atomic simulation environment to obtain multiple oriented surface structure models for constructing the noble metal high-entropy alloy in different random modes;
and optimizing the script to realize the constraint on the atomic position of the part of the noble metal high-entropy alloy surface structure block and the accurate control on the concentration of each layer of noble metal alloy element, thereby obtaining the noble metal high-entropy alloy surface structure model.
Optionally, the intrinsic properties of the synthetic precious metal high entropy alloy element include the number of groups of elements, the number of cycles, the number of valence electrons, and electronegativity.
Optionally, the build surface description Fu surface A linear function with surface energy, further comprising:
optimizing a noble metal high-entropy alloy surface structure model, and describing in-layer element types, concentration information and electronic properties of a surface layer, a subsurface layer and a bulk layer in the lamellar surface structure through a description Fu in a geometric average form;
comparing the descriptor in geometric mean form with the relation between the surface energy of the noble metal high-entropy alloy surface structure to establish a surface description Fu surface Linear function of surface energy.
Optionally, the resulting surface description Fu surface A linear function of surface properties of a high entropy alloy with noble metals, comprising:
after the random mode of bulk phase atoms is fixed, calculating the surface energy of the noble metal high-entropy alloy to obtain the surface energy excluding the influence of the bulk phase atoms;
analyzing the relationship between the surface descriptor, the surface geometry, the surface segregation and the bulk phase partial entropy state and the surface energy of the bulk phase atoms to obtain a surface energy analytical formula of the noble metal high-entropy alloy surface, and quantitatively determining the relationship mapping between the surface atomic distribution and the surface energy point to point;
combining the surface energy resolution of the noble metal high entropy alloy surface and the surface description Fu surface Obtaining the surface description Fu surface Linear function of the surface properties of the high entropy alloy with noble metals.
Optionally, the resulting surface description Fu surface A linear function of surface properties of a high entropy alloy with noble metals, further comprising:
and (3) checking the training data proportion required by quantitative relation mapping between the surface atomic distribution and the surface energy by applying a machine learning algorithm in an open source code scikit-learn, and realizing point-to-point accurate correlation of the surface atomic distribution and the surface energy.
Optionally, the surface information of the noble metal high entropy alloy includes surface orientation and energy information.
The application provides a method for determining atomic distribution of a noble metal high-entropy alloy surface based on a linear function, which comprises the steps of compiling a script by using an atomic simulation environment to obtain a noble metal high-entropy alloy surface structure model, and determining a calculation energy convergence effect of calculating the noble metal high-entropy alloy surface structure by using a VASP test set of parameter settings to obtain the surface energy of the noble metal high-entropy alloy surface structure; constructing a description Fu describing the electronic properties of the noble metal high-entropy alloy, and optimizing based on a machine learning algorithm to obtain a surface description Fu surface And combining the linear function of the surface property of the noble metal high-entropy alloy with the surface information of the noble metal high-entropy alloy to obtain the surface atomic distribution information of the noble metal high-entropy alloy so as to solve the problem that the surface atomic distribution of the high-entropy alloy cannot be accurately detected.
Drawings
In order to more clearly illustrate the technical solutions of the present application, the drawings that are needed in the embodiments will be briefly described below, and it will be obvious to those skilled in the art that other drawings can be obtained from these drawings without inventive effort.
FIG. 1 is a side view of a high entropy alloy surface structure of different crystal planes;
FIG. 2 shows the surface energy and surface electron descriptions Fu of different crystal planes of the IrRuRhPdPt high-entropy alloy surface structure surface Is a functional relationship diagram of (a).
Detailed Description
Reference will now be made in detail to the embodiments, examples of which are illustrated in the accompanying drawings. When the following description refers to the accompanying drawings, the same numbers in different drawings refer to the same or similar elements, unless otherwise indicated. The embodiments described in the examples below do not represent all embodiments consistent with the present application. Merely as examples of systems and methods consistent with some aspects of the present application as detailed in the claims.
High-entropy alloys are an emerging type of multicomponent alloy, and their physical properties have been extensively studied due to their high mixed entropy. High entropy alloys are known for their novel mechanical and physical properties, including high strength, high hardness, good temperature and corrosion resistance. In practical research, high-entropy alloys have various unique surface properties such as inherent ductile stress, brittle fracture, sintering rate, growth rate, surface segregation, grain boundary formation, adsorption strength, catalytic behavior, and the like.
Because the complex alloying effect in the high-entropy alloy system is derived from the diversity and randomness of the distribution of various alloy elements and the synergistic effect among the alloy elements, the existing model can describe only the average surface energy of the high-entropy alloy, and the structure-activity relationship of the surface structure cannot be quantitatively described.
For a complex noble metal high-entropy alloy system with multiple randomly distributed elements, the experimental synthesis means of the material and the detection method of the surface atomic distribution are difficult to realize and have high cost, and most of the surface properties of the noble metal high-entropy alloy system are closely related to the surface atomic distribution.
In order to solve the problem that the atomic distribution of the high-entropy alloy surface cannot be accurately detected, the application provides a method for determining the atomic distribution of the high-entropy alloy surface of noble metal based on a linear function, which comprises the following steps:
s100: based on the lattice constant of the noble metal high-entropy alloy, writing a script by using an atomic simulation environment to obtain a surface structure model of the noble metal high-entropy alloy;
s200: based on the noble metal high-entropy alloy surface structure model, a plurality of sets of parameter settings are tested by using a VASP, the calculated energy convergence effect of the noble metal high-entropy alloy surface structure is determined and calculated, and the surface energy of the noble metal high-entropy alloy surface structure is obtained;
s300: constructing a description Fu describing electronic properties of the noble metal high-entropy alloy based on intrinsic characteristics and element concentration information of elements synthesizing the noble metal high-entropy alloy;
s400: optimizing the noble metal high-entropy alloy surface structure model to establish a surface description Fu surface Linear function with surface energy;
s500: fu based on the surface description surface Linear function with surface energy and machine learning algorithm to obtain a surface description Fu surface Linear function with noble metal high entropy alloy surface properties;
s600: according to the surface description Fu surface And obtaining the surface atomic distribution information of the noble metal high-entropy alloy by the linear function of the surface property of the noble metal high-entropy alloy and the surface information of the noble metal high-entropy alloy.
The intrinsic description Fu for describing the noble metal high-entropy alloy and the geometric average form for describing the atomic information in the surface layer are provided, and based on the intrinsic description Fu, the structure-activity relationship between the intrinsic description and the surface property of the noble metal high-entropy alloy is established, so that the atomic distribution of the noble metal high-entropy alloy can be detected.
Open source Atomic Simulation Environment (ASE) is a tool kit developed based on Python language for theoretical chemistry calculations whose functions include modeling, optimization, analysis and visualization. The ASE script written in Python language can be used for reading and analyzing the element information of the surface structure of the noble metal high-entropy alloy, calculating each energy, and constructing descriptors of each layer through the property of the layered surface structure; the noble metal high-entropy alloy surface structure model with various orientations can be constructed in different random modes, and the concentration and the atomic position of each layer of alloy element can be accurately controlled; the atomic distribution information on the surface of the noble metal high-entropy alloy can be accurately detected according to the orientation and energy information of the noble metal high-entropy alloy.
VASP is a software applied in scientific research on microscopic reaction mechanism of materials and electronic structural properties of calculated materials, and can process metals and oxides, semiconductors, crystals, doping systems, nano materials, molecules, clusters, surface systems, interface systems and the like. And (3) testing a plurality of sets of parameter settings by adopting first sexual principle computing software VASP to determine the energy calculation convergence effect of computing the surface structure of the noble metal high-entropy alloy. The surface structure obtained after the geometric optimization of the first sex principle and the calculated structure energy can be used for evaluating the formation energy and the surface energy of the high-entropy alloy surface structure, and further used for judging the stability and the activity of the noble metal high-entropy alloy surface, the element distribution tendency of the surface and the segregation tendency of alloy elements in a local environment.
According to the method for determining the atomic distribution on the surface of the noble metal high-entropy alloy based on the linear function, a simple analytical model based on the element types, the concentration and the intrinsic properties of the surface alloy atoms is adopted to construct a functional relation, so that quantitative point-to-point description of complex high-entropy surface energy is realized, the interpretability of the model is ensured, the structure-activity relation of the surface of the noble metal high-entropy alloy is conveniently understood, and the problem that the atomic distribution on the surface of the high-entropy alloy cannot be accurately detected is solved.
In some embodiments, the method for determining the atomic distribution on the surface of the precious metal high-entropy alloy based on the linear function further comprises:
based on the lattice constants of the elements of the synthesized noble metal high-entropy alloy and the proportion of the elements in the noble metal high-entropy alloy, the lattice constant range of the noble metal high-entropy alloy is obtained through the Vigab law.
The Vegard law refers to that the lattice constant of a solid solution formed with atoms of a crystal structure is an intermediate value of the lattice constants of both, and can be written as a=x1a1+x2a2.
For example, ir, ru, rh, pd and Pt elements for synthesizing the noble metal high-entropy alloy material are selected according to the requirement, the lattice constants of bulk metals in nature of the elements can be known according to the existing experimental results, and the lattice constants of the noble metal high-entropy alloy material are determined according to the proportion of each element in the noble metal high-entropy alloy material and by combining with the Vegard law.
In some embodiments, the obtaining a precious metal high entropy alloy surface structure model comprises:
based on lattice constants of the noble metal high-entropy alloy, writing a script by using an atomic simulation environment to obtain multiple oriented surface structure models for constructing the noble metal high-entropy alloy in different random modes; and optimizing the script to realize the constraint on the atomic position of the part of the noble metal high-entropy alloy surface structure block and the accurate control on the concentration of each layer of noble metal alloy element, thereby obtaining the noble metal high-entropy alloy surface structure model.
In some embodiments, the intrinsic properties of the synthetic precious metal high entropy alloy element include the number of groups, number of cycles, number of valence electrons, and electronegativity of the element.
In some embodiments, the build surface description Fu surface A linear function with surface energy, further comprising:
optimizing a noble metal high-entropy alloy surface structure model, and describing in-layer element types, concentration information and electronic properties of a surface layer, a subsurface layer and a bulk layer in the lamellar surface structure through a description Fu in a geometric average form; comparing the descriptor in geometric mean form with the relation between the surface energy of the noble metal high-entropy alloy surface structure to establish a surface description Fu surface Linear function of surface energy.
In some embodiments, the resulting surface description Fu surface A linear function of surface properties of a high entropy alloy with noble metals, comprising:
after the random mode of bulk phase atoms is fixed, calculating the surface energy of the noble metal high-entropy alloy to obtain the surface energy excluding the influence of the bulk phase atoms; analyzing the relationship between the surface descriptor, the surface geometry, the surface segregation and the bulk phase partial entropy state and the surface energy of the bulk phase atoms to obtain a surface energy analytical formula of the noble metal high-entropy alloy surface, and quantitatively determining the relationship mapping between the surface atomic distribution and the surface energy point to point; combining the surface energy resolution of the noble metal high entropy alloy surface and the surface description Fu surface Obtaining the surface description Fu surface Linear function of the surface properties of the high entropy alloy with noble metals.
In some embodiments, the resulting surface description Fu surface A linear function of surface properties of a high entropy alloy with noble metals, further comprising:
and (3) checking the training data proportion required by quantitative relation mapping between the surface atomic distribution and the surface energy by applying a machine learning algorithm in an open source code scikit-learn, so that the point-to-point accurate association of the surface atomic distribution and the surface energy is realized, and the point-to-point accurate association of the surface atomic distribution and the surface energy can be realized with less calculation amount.
The scikit-learn is abbreviated as sklearn, is a common python third party module in machine learning, encapsulates a common machine learning algorithm, supports four machine learning algorithms of classification, regression, dimension reduction and clustering, and also comprises two large modules of data preprocessing and model evaluation. The machine learning method has complex feature space and decision rules, but the prediction result of the surface energy of the high-entropy alloy surface structure is usually statistical and has poor interpretation, which prevents further understanding of the structure-activity relationship of the high-entropy alloy surface. In the method, a simple analytical model based on element types, concentrations and intrinsic properties of surface alloy atoms is adopted to construct a functional relationship, so that quantitative point-to-point description of complex high-entropy surface energy is realized, the interpretability of the model can be ensured, and the structure-activity relationship of the noble metal high-entropy alloy surface can be understood conveniently.
In some embodiments, the surface information of the noble metal high entropy alloy includes surface orientation and energy information.
Based on the surface orientation and surface energy information of the noble metal high-entropy alloy material synthesized by experiments, the surface description Fu is constructed surface And mapping the linear function of the surface property of the noble metal high-entropy alloy to obtain a surface descriptor of the noble metal high-entropy alloy, and acquiring surface atom distribution information of the noble metal high-entropy alloy according to the surface descriptor.
Examples
And (3) calculating and obtaining the energy of a small amount of precious metal high-entropy alloy surface structure through a first sexual principle, obtaining a linear correlation analysis expression of the surface property and the surface atomic distribution, and drawing the figures 1 and 2. FIG. 1 is a side view of a high entropy alloy surface structure of different crystal planes, including (a) fcc (100) (B) fcc (111) and (c) fcc (211), wherein the layered structure is divided into surface atoms, subsurface atoms and bulk atoms according to the positions of the atoms, denoted by S, A and B, respectively; FIG. 2 shows the surface energy and surface electron descriptions Fu of different crystal planes of the IrRuRhPdPt high-entropy alloy surface structure surface The linear fitting function and the corresponding mean absolute error are labeled, respectively, and the surface energy of the step surface fcc (211) is plotted on the other y-axis in order to reduce the mutual coverage and occlusion of data points.
As shown in fig. 1, the surface of the experimentally synthesized IrRuRhPdPt noble metal high-entropy alloy material is oriented to have a (100) crystal plane, and the measured surface energy is 2.3eV, then the surface layer of the noble metal high-entropy alloy material can be found to be about 41 based on the linear correlation of fig. 2, while Pd of the five alloy elements has a maximum of 47.13, pt is 46.84, ru is 28.00, and ir is centered to 36.82. As is known from Vegard's law, the proportion of Pd and Pt elements is relatively high, and the proportion of Ru is relatively low. According to the calculation mode of geometric average, the element proportion of the noble metal high-entropy alloy surface can be respectively 9% Ru, 19% Pd, 25% Ir, 38% Pt and 9% Rh.
The application provides a method for determining atomic distribution of a noble metal high-entropy alloy surface based on a linear function, which comprises the steps of compiling a script by using an atomic simulation environment to obtain a noble metal high-entropy alloy surface structure model, and determining a calculation energy convergence effect of calculating the noble metal high-entropy alloy surface structure by using a VASP test set of parameter settings to obtain the surface energy of the noble metal high-entropy alloy surface structure; constructing a description Fu describing the electronic properties of the noble metal high-entropy alloy, and optimizing based on a machine learning algorithm to obtain a surface description Fu surface And combining the linear function of the surface property of the noble metal high-entropy alloy with the surface information of the noble metal high-entropy alloy to obtain the surface atomic distribution information of the noble metal high-entropy alloy so as to solve the problem that the surface atomic distribution of the high-entropy alloy cannot be accurately detected.
The foregoing detailed description of the embodiments is merely illustrative of the general principles of the present application and should not be taken in any way as limiting the scope of the invention. Any other embodiments developed in accordance with the present application without inventive effort are within the scope of the present application for those skilled in the art.
Claims (8)
1. The method for determining the atomic distribution of the surface of the noble metal high-entropy alloy based on the linear function is characterized by comprising the following steps of:
based on the lattice constant of the noble metal high-entropy alloy, writing a script by using an atomic simulation environment to obtain a surface structure model of the noble metal high-entropy alloy;
based on the noble metal high-entropy alloy surface structure model, a plurality of sets of parameter settings are tested by using a VASP, the calculated energy convergence effect of the noble metal high-entropy alloy surface structure is determined and calculated, and the surface energy of the noble metal high-entropy alloy surface structure is obtained;
constructing a description Fu describing electronic properties of the noble metal high-entropy alloy based on intrinsic characteristics and element concentration information of elements synthesizing the noble metal high-entropy alloy;
optimizing the noble metal high-entropy alloy surface structure model to establish a surface description Fu surface Linear function with surface energy;
fu based on the surface description surface Linear function with surface energy and machine learning algorithm to obtain a surface description Fu surface Linear function with noble metal high entropy alloy surface properties;
according to the surface description Fu surface And obtaining the surface atomic distribution information of the noble metal high-entropy alloy by the linear function of the surface property of the noble metal high-entropy alloy and the surface information of the noble metal high-entropy alloy.
2. The method for determining the atomic distribution on the surface of the high-entropy alloy of noble metal based on a linear function according to claim 1, further comprising:
based on the lattice constants of the elements of the synthesized noble metal high-entropy alloy and the proportion of the elements in the noble metal high-entropy alloy, the lattice constant range of the noble metal high-entropy alloy is obtained through the Vigab law.
3. The method for determining the atomic distribution on the surface of the high-entropy alloy of noble metal based on the linear function according to claim 1, wherein the obtaining the surface structure model of the high-entropy alloy of noble metal comprises the following steps:
based on lattice constants of the noble metal high-entropy alloy, writing a script by using an atomic simulation environment to obtain multiple oriented surface structure models for constructing the noble metal high-entropy alloy in different random modes;
and optimizing the script to realize the constraint on the atomic position of the part of the noble metal high-entropy alloy surface structure block and the accurate control on the concentration of each layer of noble metal alloy element, thereby obtaining the noble metal high-entropy alloy surface structure model.
4. The method for determining the atomic distribution on the surface of the high-entropy alloy of noble metal based on the linear function according to claim 1, wherein the intrinsic characteristics of the high-entropy alloy element of noble metal are synthesized, including the number of groups, the number of cycles, the number of valence electrons and electronegativity of the element.
5. The method for determining the atomic distribution on the surface of a high-entropy alloy of noble metal based on a linear function according to claim 4, wherein the surface description Fu is established surface A linear function with surface energy, further comprising:
optimizing a noble metal high-entropy alloy surface structure model, and describing in-layer element types, concentration information and electronic properties of a surface layer, a subsurface layer and a bulk layer in the lamellar surface structure through a description Fu in a geometric average form;
comparing the descriptor in geometric mean form with the relation between the surface energy of the noble metal high-entropy alloy surface structure to establish a surface description Fu surface Linear function of surface energy.
6. The method for determining the atomic distribution on the surface of the high-entropy alloy of noble metal based on a linear function according to claim 1, wherein the obtained surface profileFu described in surface A linear function of surface properties of a high entropy alloy with noble metals, comprising:
after the random mode of bulk phase atoms is fixed, calculating the surface energy of the noble metal high-entropy alloy to obtain the surface energy excluding the influence of the bulk phase atoms;
analyzing the relationship between the surface descriptor, the surface geometry, the surface segregation and the bulk phase partial entropy state and the surface energy of the bulk phase atoms to obtain a surface energy analytical formula of the noble metal high-entropy alloy surface, and quantitatively determining the relationship mapping between the surface atomic distribution and the surface energy point to point;
combining the surface energy resolution of the noble metal high entropy alloy surface and the surface description Fu surface Obtaining the surface description Fu surface Linear function of the surface properties of the high entropy alloy with noble metals.
7. The method for determining the atomic distribution on the surface of a high-entropy alloy of noble metal based on a linear function according to claim 6, wherein the obtained surface description Fu surface A linear function of surface properties of a high entropy alloy with noble metals, further comprising:
and (3) checking the training data proportion required by quantitative relation mapping between the surface atomic distribution and the surface energy by applying a machine learning algorithm in an open source code scikit-learn, and realizing point-to-point accurate correlation of the surface atomic distribution and the surface energy.
8. The method for determining the surface atomic distribution of a high-entropy alloy of noble metal based on a linear function according to claim 1, wherein the surface information of the high-entropy alloy of noble metal includes surface orientation and energy information.
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