Laser-cladding-based composite layer interface fracture mechanical parameter transmission method and system and electronic equipment

Abstract

The invention provides an interface fracture mechanical parameter transmission method based on a laser cladding composite layer. The interface fracture mechanical parameter transmission method comprises the following steps: acquiring an interface compound type and a crystal structure generated on the cladding composite layer; according to the interface compound type and the crystal structure, constructing a stretching molecular dynamics model, and determining an optimal dynamics potential function of the stretching molecular dynamics model; performing molecular dynamics tensile simulation on the tensile molecular dynamics model through the optimal dynamic potential function to obtain stress-strain data of tensile fracture; obtaining microscopic interface fracture mechanical parameter attributes of the cladding composite layer containing the interface compound according to the stress-strain data; and transmitting the microscopic interface fracture mechanical parameter attributes to the geometric model of the functional device or the part, and carrying out interface fracture analysis calculation on the geometric model of the functional device or the part. The method solves the problem that the mechanical fracture characteristics are difficult to characterize in the prior art due to the fact that the interface compound of the cladding composite layer is small in size.

Description

Technical Field

[0001] This invention relates to the field of interface fracture mechanics calculation technology, and in particular to a method, system and electronic device for transferring interface fracture mechanics parameters based on laser cladding composite layers. Background Technology

[0002] Interfacial mechanics is a persistent problem in industrial manufacturing. Interfacial compounds are typically generated during the production or experimentation of thin-film coatings or laser cladding composites. Examples include interfacial compounds formed between different composite cladding layers during laser 3D / 4D printing, between the coating and substrate during magnetron sputtering, and between the coating and substrate during high-temperature spraying. The presence of these interfacial compounds significantly impacts the fracture mechanics of the interface. Due to their small size, conventional interfacial compounds are often difficult to characterize using conventional techniques. Therefore, a method for transferring interfacial fracture mechanics parameters based on laser cladding composites is urgently needed to address these existing technical challenges. Summary of the Invention

[0003] The present invention aims to solve at least one of the technical problems existing in the prior art, and proposes a method, system and electronic device for transferring the interface fracture mechanical parameters of laser cladding composite layer.

[0004] In a first aspect, embodiments of the present invention provide a method for transferring fracture mechanical parameters at the interface of a laser cladding composite layer, comprising: To obtain the type and crystal structure of the interfacial compounds generated in the cladding composite layer; Based on the type of interface compound and crystal structure, a stretching molecular dynamics model is constructed, and the optimal kinetic potential function of the stretching molecular dynamics model is determined. Molecular dynamics tensile simulation is performed on the tensile molecular dynamics model using the optimal kinetic potential function to obtain stress-strain data for tensile fracture. The microscopic interface fracture mechanical parameters of the cladding composite layer containing the interface compound are obtained based on the stress-strain data. A geometric model of a functional device or component containing a cladding composite layer of interfacial compounds is constructed. The microscopic interfacial fracture mechanics parameters are transferred to the geometric model of the functional device or component, and interfacial fracture analysis calculations are performed on the geometric model of the functional device or component.

[0005] Furthermore, the specific method for determining the optimal kinetic potential function of the stretched molecular dynamics model includes: performing kinetic calculations to verify the single-atom crystal structure of the cladding composite layer containing the interface compound through the transformation of the molecule via crystal structure transformation, molecular dynamic calculations to verify the Young's modulus, calculations to verify the melting point, and calculations to verify the vacancy formation energy, thereby determining the optimal kinetic potential function of the stretched molecular dynamics model.

[0006] Furthermore, molecular dynamics stretching simulation is performed on the stretched molecular dynamics model using the optimal kinetic potential function. Specific steps include: The initialization command sets the basic parameters of the stretching simulation, which include at least time, step size, temperature, and pressure. Define the basic information of an atom, including at least the type of atom, the position of the atom, and the velocity of the atom; An optimal dynamic potential function is introduced, which is used to optimally represent interatomic interactions; The system box and boundary conditions are set, including at least the cell definition and box parameters, the type of boundary conditions, and the basic parameters of the simulation. The control instructions are defined to define the execution flow of the simulation, including at least the calculation cycle and the output frequency.

[0007] Furthermore, based on the stress-strain data, the microscopic interface fracture mechanical parameters of the cladding composite layer containing the interface compound are obtained. The specific method includes: performing a tensile simulation in six directions on the dynamic tensile model containing the interface compound to obtain the tensile fracture stress-strain curves in six directions, and obtaining the interface fracture mechanical parameters from the tensile fracture stress-strain curves in six directions.

[0008] Furthermore, the interfacial fracture mechanics parameters represent the tensile fracture strength and corresponding modulus in different directions, specifically including the normal elastic modulus E / Enn and the first shear modulus G1 / E. ss Second shear modulus G2 / E ss Normal strength T o First shear strength S1, second shear strength S2, fracture energy G c ; where the normal elastic coefficient E / E nn G1 / E represents the elastic modulus in the x-direction, the first shear modulus. ss G2 / E represents the elastic modulus in the x and y directions, and the second shear modulus. ss T represents the elastic modulus in the xz direction and the normal strength. oS1 represents the maximum tensile strength in the x-direction, S2 represents the maximum tensile strength in the xy-direction, and S3 represents the maximum tensile strength in the xz-direction.

[0009] Furthermore, the fracture energy G c The calculation formula is:

[0010] Where, σ y L represents the stress along the tensile direction of the y-axis. y L represents the side length of the y-axis after the model is stretched. x L0 represents the side length of the model along the x-axis after stretching, and L0 represents the original side length of the model along the y-axis. The integral represents the area S enclosed by stress and strain along the stress-strain curve along the y-axis tensile direction, as a function of strain. The product of the original side length L0.

[0011] Furthermore, a geometric model of a functional device or component containing an interfacial compound cladding composite layer is constructed using Abaqus finite element software. The material properties of the cladding layer and the thin film cladding layer are input into the material properties module of Abaqus. The interfacial compound is represented by a cohesive element in Abaqus. The fracture mechanics parameters are transferred using the material parameters of the cohesive element in Abaqus. The model is then simulated under different loading conditions for the geometric model of the functional device or component containing the interfacial compound.

[0012] Furthermore, a method for transferring mechanical parameters of interface fracture based on laser cladding composite layer also includes: after loading and analyzing the geometric model of a functional device or component containing an interface compound under different working conditions, it can also predict the macroscopic structural defects of the interface fracture of the functional device or component, and optimize the process parameters and geometric design. Specifically, it includes: macroscopically analyzing the evolution mechanism of interface cracking through Abaqus finite element method, predicting the macroscopic structural defects of the interface fracture of the functional device or component according to the evolution mechanism, and improving the process parameters or strengthening them through related technical means according to the macroscopic structural defects of the interface.

[0013] Secondly, this invention also discloses a fracture mechanics parameter transfer system based on a laser cladding composite layer interface, employing the aforementioned fracture mechanics parameter transfer method, comprising: a compound type and crystal structure acquisition unit, an optimal kinetic potential function determination unit, a stress-strain data acquisition unit for tensile fracture, a fracture mechanics parameter property acquisition unit, and a fracture analysis calculation unit; wherein: The compound type and crystal structure acquisition unit is used to acquire the interface compound type and crystal structure generated in the cladding composite layer; The optimal kinetic potential function determination unit is used to construct a stretched molecular dynamics model based on the type of interface compound and the crystal structure, and to determine the optimal kinetic potential function of the stretched molecular dynamics model. The stress-strain data acquisition unit for tensile fracture is used to perform molecular dynamics tensile simulation on the tensile molecular dynamics model through the optimal dynamic potential function to obtain the stress-strain data for tensile fracture. The fracture analysis calculation unit is used to obtain the fracture mechanical parameters of the micro-interface of the cladding composite layer containing the interface compound based on the stress-strain data. The fracture analysis calculation unit is used to construct a geometric model of a functional device or component containing a cladding composite layer of interfacial compounds, transfer the microscopic interfacial fracture mechanical parameters to the geometric model of the functional device or component, and perform interfacial fracture analysis calculations on the geometric model of the functional device or component.

[0014] Thirdly, embodiments of the present invention disclose an electronic device, comprising: One or more processors; Memory, used to store one or more programs; When the one or more programs are executed by the one or more processors, the one or more processors implement the fracture mechanics parameter transfer method.

[0015] This invention provides a method for transferring interfacial fracture mechanical parameters based on laser cladding composite layers. The method involves obtaining the type and crystal structure of the interfacial compound generated in the cladding composite layer; constructing a tensile molecular dynamics model based on the interfacial compound type and crystal structure; determining the optimal kinetic potential function of the tensile molecular dynamics model; performing molecular dynamics tensile simulation on the tensile molecular dynamics model using the optimal kinetic potential function to obtain stress-strain data of tensile fracture; obtaining the microscopic interfacial fracture mechanical parameter properties of the cladding composite layer containing the interfacial compound based on the stress-strain data; and transferring the microscopic interfacial fracture mechanical parameter properties to the geometric model of the functional device or component, and performing interfacial fracture analysis calculations on the geometric model of the functional device or component. The beneficial effects of this invention include at least the following: This invention obtains the key parameter properties of microscopic interfacial fracture mechanics from the atomic scale using the molecular dynamics calculation software Lammps, and applies them to the study of the interfacial mechanical failure behavior of macroscopic interfacial cohesive elements in the finite element calculation software Abaqus. This invention solves the problem in the prior art that, due to the small scale of the interfacial compounds in the cladding composite layer, existing techniques are insufficient to characterize their mechanical fracture properties. Attached Figure Description

[0016] Figure 1A flowchart illustrating a method for transferring mechanical parameters of interface fracture based on laser cladding composite layer, provided for an embodiment of the present invention; Figure 2 This diagram illustrates the transfer of interface mechanical parameters from Lammps molecular dynamics to Abaqus macroscopic finite element method and its simulation application in devices. Figure 3 This is a schematic diagram of the total energy of the Mg and Zn system after relaxation of the Al-Mg-Zn MEAM many-body potential function, where... Figure 3 a represents the unit cell structure of Mg. Figure 3 b represents the unit cell structure of Zn; Figure 4 This is a schematic diagram of the total energy of the Mg and Zn system after relaxation of the many-body potential function in Mg-Zn MEAM, where, Figure 4 a represents the unit cell structure of Mg. Figure 4 b represents the unit cell structure of Zn; Figure 5 The diagram shows the HCP unit cell structure of Mg and Zn after relaxation of the Al-Mg-Zn MEAM many-body potential function. Figure 5 a represents the unit cell structure of Mg. Figure 5 b represents the unit cell structure of Zn; Figure 6 The diagram shows the HCP unit cell structure of Mg and Zn after MEAM manybody potential function relaxation, where... Figure 6 a represents the unit cell structure of Mg. Figure 6 b represents the unit cell structure of Zn; Figure 7 This is a schematic diagram of biaxial static tensile fracture of a Mg unit cell under different multibody potential functions, where... Figure 7 a represents the tensile fracture of Mg unit cell under Al-Mg-Zn MEAM potential function simulation; Figure 7 b represents the tensile fracture of Mg unit cell under Mg-Zn MEAM potential function simulation; Figure 8 Stress-strain curves along the tensile direction of Mg unit cell under different manybody potential functions; Figure 9 Schematic diagram of the state of a heated molten unit cell under different potential functions; Figure 10 This is a graph showing the potential energy curves of the Mg unit cell at the melting temperature under different manybody potential functions. Figure 10 a represents the thermal melting under the simulated Mg-Zn MEAM potential function; Figure 10 b represents the thermal melting under the Al-Mg-Zn MEAM potential function simulation; Figure 11 This is a structural block diagram of a laser cladding composite layer interface fracture mechanical parameter transfer system; Figure 12 This is a structural block diagram of an electronic device provided in an embodiment of the present invention. Detailed Implementation

[0017] To enable those skilled in the art to better understand the technical solutions of the present invention, exemplary embodiments of the present invention are described below in conjunction with the accompanying drawings, including various details of the embodiments of the present invention to aid understanding. These should be considered merely exemplary. Therefore, those skilled in the art should recognize that various changes and modifications can be made to the embodiments described herein without departing from the scope and spirit of the present invention. Similarly, for clarity and brevity, descriptions of well-known functions and structures are omitted in the following description.

[0018] Where there is no conflict, the various embodiments of the present invention and the features thereof may be combined with each other.

[0019] As used herein, the term “and / or” includes any and all combinations of one or more related enumerated entries.

[0020] The terminology used herein is for the purpose of describing particular embodiments only and is not intended to limit the invention. As used herein, the singular forms “a” and “the” are intended to include the plural forms as well, unless the context clearly indicates otherwise. It will also be understood that when the terms “comprising” and / or “made of” are used in this specification, the presence of the stated feature, integral, step, operation, element, and / or component is specified, but the presence or addition of one or more other features, integrals, steps, operations, elements, components, and / or groups thereof is not excluded. Terms such as “connected” or “linked” are not limited to physical or mechanical connections but can include electrical connections, whether direct or indirect.

[0021] Unless otherwise specified, all terms used herein (including technical and scientific terms) have the same meaning as commonly understood by one of ordinary skill in the art. It will also be understood that terms such as those defined in commonly used dictionaries should be interpreted as having the meaning consistent with their meaning in the context of the relevant art and the invention, and will not be interpreted as having an idealized or overly formal meaning unless expressly so defined herein.

[0022] In the technical solution of this invention, the collection, storage, use, processing, transmission, provision, and disclosure of user personal information all comply with relevant laws and regulations and do not violate public order and good morals. The use of user data in this technical solution follows relevant national laws and regulations (e.g., the "Information Security Technology - Personal Information Security Specification"). For example: appropriate measures are taken for personal information access control; restrictions are imposed on the display of personal information; the purpose of using personal information does not exceed the scope of direct or reasonable association; and explicit identity targeting is eliminated when using personal information to avoid precisely locating a specific individual.

[0023] To address at least one of the technical problems existing in the aforementioned related technologies, the present invention provides a method, system, and electronic device for transferring interface fracture mechanical parameters based on laser cladding composite layers.

[0024] Example 1: This example discloses a method for transferring fracture mechanical parameters at the interface of a laser cladding composite layer, such as... Figure 1 ,include: S100. Obtain the type and crystal structure of the interface compound generated in the cladding composite layer; In this embodiment, the interface compound of the cladding composite layer refers to the interface compound generated during the manufacturing or experimentation of the thin film coating or laser cladding composite layer. This can be an interface compound generated between cladding layers in laser 3D or 4D printing, or an interface compound generated through rolling between different layers of materials. It can also be a compound produced by physical vapor deposition, chemical vapor deposition, molecular beam epitaxy, physical spraying, powder metallurgy, or other methods capable of generating interface compounds. After obtaining the interface compound of the cladding composite layer, the type and crystal structure of the compound are determined comprehensively through X-ray diffraction and transmission electron microscopy experiments. S200. Based on the type of interface compound and crystal structure, construct a stretching molecular dynamics model and determine the optimal kinetic potential function of the stretching molecular dynamics model; Specifically, after determining the type and crystal structure of the compound, a stretched molecular dynamics model is constructed based on the type of interface compound and the crystal structure. After constructing the stretched molecular dynamics model, the optimal kinetic potential function of the stretched molecular dynamics model is determined. In this embodiment, the specific method for determining the optimal kinetic potential function of the stretched molecular dynamics model includes: performing kinetic calculations to verify the single-atom crystal structure of the cladding composite layer containing the interface compound through molecular transformation via crystal structure transformation, molecular dynamics calculations to verify the Young's modulus, calculations at the melting point, and calculations at the vacancy formation energy, thereby determining the optimal kinetic potential function of the stretched molecular dynamics model.

[0025] Specifically, the molecular dynamics potential function includes all thin film coatings or cladding layers containing interfacial compounds and the atoms of the interfacial compounds, and can characterize the interaction forces between different atoms; the molecular dynamics potential function should ensure its correct selection, including verifying the cladding layer or the substrate and the thin film by applying the molecular dynamics potential function to perform molecular dynamics calculations to verify the crystal structure transformation, Young's modulus, melting point, and vacancy formation energy, and finally determining the optimal molecular dynamics potential function; the verification of the optimal molecular dynamics potential function includes comparing the calculated values ​​of Young's modulus, melting point, and vacancy formation energy under molecular dynamics calculations using the potential function with empirical values.

[0026] S300. Molecular dynamics tensile simulation is performed on the tensile molecular dynamics model using the optimal kinetic potential function to obtain stress-strain data of tensile fracture; specifically, the optimal molecular dynamics potential function is used to perform molecular dynamics tensile simulation on the thin film coating or cladding layer containing interface compounds using Lammps software to obtain stress-strain data of tensile fracture.

[0027] In this embodiment, molecular dynamics stretching simulation is performed on the stretched molecular dynamics model using the optimal kinetic potential function. Specific steps include: The initialization command sets the basic parameters of the stretching simulation, which include at least time, step size, temperature, and pressure. Define the basic information of an atom, including at least the type of atom, the position of the atom, and the velocity of the atom; An optimal dynamic potential function is introduced, which is used to optimally represent interatomic interactions; The system box and boundary conditions are set, including at least the cell definition and box parameters, the type of boundary conditions, and the basic parameters of the simulation. The control instructions are defined to define the execution flow of the simulation, including at least the calculation cycle and the output frequency.

[0028] S400. Obtain the microscopic interface fracture mechanical parameters of the cladding composite layer containing the interface compound based on the stress-strain data; In this embodiment, the microscopic interface fracture mechanical parameters of the cladding composite layer containing the interface compound are obtained based on the stress-strain data. The specific method includes: performing a tensile simulation in six directions on the dynamic tensile model containing the interface compound to obtain tensile fracture stress-strain curves in six directions, and obtaining the interface fracture mechanical parameters from the tensile fracture stress-strain curves in six directions.

[0029] Specifically, by utilizing the molecular dynamics tensile model of a thin film coating or cladding layer containing interfacial compounds to obtain tensile fracture stress-strain curves in different directions, interfacial fracture mechanical parameters can be obtained from the tensile fracture stress-strain curves in six directions. These interfacial fracture mechanical parameters represent the tensile fracture strength and corresponding modulus in different directions, specifically including the normal elastic modulus E / Enn and the first shear modulus G1 / E. ss Second shear modulus G2 / E ss Normal strength T o First shear strength S1, second shear strength S2, fracture energy G c ; where the normal elastic coefficient E / E nn G1 / E represents the elastic modulus in the x-direction, the first shear modulus. ss G2 / E represents the elastic modulus in the x and y directions, and the second shear modulus. ss T represents the elastic modulus in the xz direction and the normal strength. o S1 represents the maximum tensile strength in the x-direction, S2 represents the maximum tensile strength in the xy-direction, and S3 represents the maximum tensile strength in the xz-direction.

[0030] In some preferred embodiments, the fracture energy G c The calculation formula is:

[0031] Where, σ y L represents the stress along the tensile direction of the y-axis. y L represents the side length of the y-axis after the model is stretched. x L0 represents the side length of the model along the x-axis after stretching, and L0 represents the original side length of the model along the y-axis. The integral represents the area S enclosed by stress and strain along the stress-strain curve along the y-axis tensile direction, as a function of strain. The product of the original side length L0.

[0032] In this embodiment, the modulus calculated using Lammps molecular dynamics is the effective modulus. Since only plane strain applications are considered here, the correspondence between the effective modulus and the elastic modulus is as follows:

[0033] In the above formula This represents the effective modulus calculated using Lammps molecular dynamics, where v is Poisson's ratio; and this parameter property is then applied to the finite element analysis software.

[0034] S500. Construct a geometric model of a functional device or component containing a cladding composite layer of interfacial compounds, transfer the microscopic interfacial fracture mechanics parameters to the geometric model of the functional device or component, and perform interfacial fracture analysis calculations on the geometric model of the functional device or component.

[0035] In this embodiment, a geometric model of a functional device or component containing an interfacial compound cladding composite layer is constructed using Abaqus finite element software. Material parameters of the cladding layer and the thin-film cladding layer are input into the material properties module of Abaqus. The interfacial compound is represented by cohesive elements in Abaqus. The fracture mechanics parameters are transferred using the material parameters of the cohesive elements in Abaqus. Simulation analysis is performed on the geometric model of the functional device or component containing the interfacial compound under different loading conditions. Specifically, the cohesive element, representing the interfacial compound, can be considered as a unit without thickness. It is commonly used in industry to study the interfacial properties of binary materials. It can be used as both an adhesive substance to simulate the interfacial mechanical properties between binary materials and a solid substance to simulate the interfacial mechanical properties between binary materials.

[0036] Specifically, the geometric model of a functional device or component containing a thin film coating or cladding layer with an interface compound is constructed using Abaqus finite element software. Material parameters of the substrate (cladding layer) and the thin film (cladding layer) are input into the Abaqus material properties module. The interface compound in Abaqus is represented by cohesive elements. Simultaneously, the fracture mechanics parameters of the interface compound are calculated using Lammps molecular dynamics and transferred to the material parameters of the cohesive elements in Abaqus. The substrate material type and the thin film coating or composite cladding layer in the Abaqus simulation are consistent with those in the Lammps simulation, and the geometry of the functional device or component is unconstrained.

[0037] Specifically, the settings for the material property module of cohesive elements in Abaqus include: adopting secondary damage modes and fracture energy damage evolution; the secondary damage modes include: the normal elastic coefficient E / E nn First shear modulus G1 / E ss Second shear modulus G2 / E ss Normal strength T o First shear strength S1, second shear strength S2, fracture energy G cFurthermore, using Abaqus, the components of the interface compound, substrate (cladding layer), thin film / coating, and cladding layer are assembled sequentially, meshed, analysis steps are set, contact relationships are set, and loading methods are set to perform interface fracture analysis calculations on the geometric model of the functional device or component.

[0038] In some preferred embodiments, a method for transferring mechanical parameters of interface fracture based on laser cladding composite layer further includes: S600. After loading analysis and simulation of the geometric model of functional device or component containing interface compound under different working conditions, it can also predict macroscopic structural defects of interface fracture of functional device or component, and optimize process parameters and geometric design.

[0039] Specifically, by using Abaqus finite element macroscopic analysis to study the evolution mechanism of interface cracking, macroscopic structural defects of functional device or component interface fracture can be predicted based on the evolution mechanism. Based on the macroscopic structural defects of the interface, process parameters can be improved or related technical means can be used to strengthen the interface, thereby preventing interface cracking, warping and delamination from the perspective of industrial manufacturing.

[0040] This embodiment discloses a method for transferring interfacial fracture mechanical parameters based on laser cladding composite layers. The method involves obtaining the type and crystal structure of the interfacial compound generated in the cladding composite layer; constructing a tensile molecular dynamics model based on the interfacial compound type and crystal structure; determining the optimal kinetic potential function of the tensile molecular dynamics model; performing molecular dynamics tensile simulation on the tensile molecular dynamics model using the optimal kinetic potential function to obtain stress-strain data of tensile fracture; obtaining the microscopic interfacial fracture mechanical parameter properties of the cladding composite layer containing the interfacial compound based on the stress-strain data; and transferring the microscopic interfacial fracture mechanical parameter properties to the geometric model of the functional device or component, performing interfacial fracture analysis calculations on the geometric model of the functional device or component. This invention solves the problem in the prior art that, due to the small scale of the interfacial compound in the cladding composite layer, existing techniques are insufficient to characterize its mechanical fracture properties.

[0041] Example 2: Based on the same inventive concept, this embodiment of the invention uses a Mg-based Zn thin-film vascular stent as an example for illustration. The specific steps are as follows: Figure 2 ,include: S100. First, a Zn composite cladding layer was constructed on a Mg substrate by laser 3D / 4D printing. The type and crystal structure characteristics of the interface compound were characterized by X-ray diffraction and other experimental methods such as field emission scanning electron microscopy.

[0042] S200. In S100, the structure of the interface compound was determined to be MgZn2, which is a close-packed hexagonal crystal structure compound. A molecular dynamics model 2a of Mg-based Zn thin film containing the MgZn2 interface compound was constructed. To avoid mismatch in the X, Y, and Z axis lengths of the molecular dynamics stretching model composed of Mg unit cells, Zn unit cells, and MgZn2 unit cells, the molecular dynamics model 2a of Mg-based Zn thin film containing the MgZn2 interface compound has a width of 25 nm in the Y direction, a height of 11 nm in the Z direction, and a width of 3.27 nm in the X direction. The molecular dynamics model 2a of Mg-based Zn thin film containing the MgZn2 interface compound includes a stretching model containing initial interface cracks. S300. The single-atom crystal structure of relevant atoms in thin film coatings or cladding layers containing MgZn2 interfacial compounds is verified by molecular dynamics calculations of crystal structure transformation, Young's modulus, melting point, and vacancy formation energy, thereby determining the correct and appropriate molecular dynamic potential function; Specifically, the cell size of the simulation system is 3.2158 nm × 11.4433 nm × 10.9929 nm (length × width × height). Mg and Zn, with hexagonal close-packed (HCP) structures, were relaxed to 20000 ps at room temperature under the same boundary conditions P1, P2 (periodic boundary conditions), and NPT ensemble using different many-body potential functions. The simulation cell system was kept identical, and the energy of the entire system was minimized using the cg conjugate gradient algorithm. Both the Mg and Zn cell systems were HCP structures before the simulation.

[0043] The total energy of the Mg-Zn system after relaxation to 20000 ps using the Al-Mg-Zn MEAM multibody potential function is as follows: Figure 3 As shown, Figure 3 a represents the unit cell structure of Mg. Figure 3 b represents the unit cell structure of Zn, from Figure 3 As can be seen, after 20,000 relaxation steps using the Al-Mg-Zn MEAM many-body potential function, both Mg and Zn unit cell systems reach equilibrium. To simultaneously compare the relationship between total energy and relaxation time for Mg and Zn unit cells after 20,000 ps relaxation using the Al-Mg-Zn MEAM and Mg-Zn MEAM many-body potential functions, respectively, [further details are needed]. Figure 4 The results were obtained after 20000 ps relaxation of the Mg-Zn MEAM manybody potential function. Figure 4 a represents the unit cell structure of Mg. Figure 4 b represents the unit cell structure of Zn. Compare this to Mg and Zn. Figure 3 a and Figure 4The relationship between the total energy and relaxation time obtained after relaxation of the Mg unit cell in section a shows that although the system eventually reaches equilibrium, the increase in total energy of the Al-Mg-Zn MEAM many-body potential function is close to 3000 eV, while the increase in total energy of the Mg-Zn MEAM many-body potential function is -24350 eV. Similarly, for the Zn unit cell system, the increase in total energy of the Al-Mg-Zn MEAM many-body potential function is close to 1000 eV, while the increase in total energy of the Mg-Zn MEAM many-body potential function is -36000 eV. Therefore, for the process of the system transitioning from unstable to stable, the Al-Mg-Zn MEAM many-body potential function results in a lower change in total energy when the system reaches stability. Because equilibrium is reached in a shorter time while the total energy change is larger, this large rate of change in total energy can cause violent oscillations in the system and lead to structural instability.

[0044] The Mg and Zn cell structures after relaxation by Al-Mg-Zn MEAM multibody potential function for 20000 ps are as follows: Figure 5 As shown, Figure 5 a represents the unit cell structure of Mg. Figure 5 b represents the unit cell structure of Zn, through Figure 5 It can be seen quite intuitively that the Mg and Zn cell structures after 20,000 steps of relaxation using the Al-Mg-Zn MEAM multibody potential function still maintain the integrity of the HCP structure.

[0045] Figure 6 a represents the unit cell structure of Mg. Figure 6 b represents the unit cell structure of Zn, through Figure 6 It can be clearly seen that after 20,000 ps relaxation using the Mg-Zn MEAM many-body potential function, although a small number of Mg atoms transform into other crystal structures, the cell structure still maintains the integrity of the HCP structure. However, after 20,000 relaxation steps using the Mg-Zn MEAM many-body potential function, a large number of other crystal structures appear within the Zn cell, accounting for 34.2% of the total number of atoms. Therefore, it can be concluded that the Mg-Zn MEAM many-body potential function is not suitable for simulating model structures containing single-crystal Zn.

[0046] Furthermore, for the calculation of Young's modulus under different potential functions, a cell system with dimensions of 3.2158 nm × 11.4433 nm × 10.9929 nm was adopted. The Young's modulus of Mg was solved using different many-body potential functions. The applicability of the Mg-Zn MEAM potential function and the Al-Mg-Zn MEAM potential function to the interlayer compounds at the interface of Mg-based Zn thin film coatings was determined by comparing the difference between the Young's modulus and experimental values. The system was first subjected to room-temperature relaxation for 20,000 ps under NPT ensemble, followed by biaxial static iso-strain stretching with an iso-strain of 0.003, cyclically stretched 50 times. The final tensile fracture model is as follows. Figure 7 As shown, Figure 7 a represents the tensile fracture of Mg unit cell under Al-Mg-Zn MEAM potential function simulation; Figure 7 b represents the tensile fracture of the Mg unit cell under the Mg-Zn MEAM potential function simulation.

[0047] The stress-time relationship in the tensile direction after biaxial iso-strain static tensile fracture of a Mg unit cell was calculated using the Mg-Zn MEAM potential function and the Al-Mg-Zn MEAM potential function. Figure 8 As shown in the figure. Visually, the stress-strain curves show that the trends of the two stress curves are almost coincident in the elastic stage. Calculations of the elastic segment show that the Young's modulus in the tensile direction is close to 50 GPa, which is close to the experimental value of 49.5 GPa for the elastic modulus of Mg.

[0048] Furthermore, the melting point was calculated under different potential functions: The cell size of the Mg unit cell system is 3.2158 nm × 11.4433 nm × 10.9929 nm. The high-temperature melting process of the Mg unit cell system is calculated and simulated using the Mg-Zn MEAM potential function and the Al-Mg-Zn MEAM potential function. The melting point of Mg under different many-body potential functions is calculated through this process. Using the same Mg unit cell system, the system is first relaxed for 50,000 steps under NPT, and then heated from 300 K to 1500 K. The energy of the entire system is minimized using the cg conjugate gradient algorithm. The results of the final molten Mg unit cell calculated using different potential functions are shown below. Figure 9 As stated above.

[0049] Furthermore, Figure 7As can be seen, the Mg unit cell is a 100% hexagonal close-packed (HCP) crystal before melting. After melting point calculations using different many-body potential functions, the structure gradually transforms from hexagonal close-packed to other amorphous structures during the melting process. Since the potential energy and total energy in the system change instantaneously as the crystal structure is destroyed by heating and melting, the melting point of the crystal can be determined by statistically analyzing the relationship between temperature and potential energy. The temperature and potential energy change curves of the Mg unit cell obtained through simulation using different many-body potential functions are shown below. Figure 10 As shown, Figure 10 a represents the thermal melting under the Mg-ZnMEAM potential function simulation; Figure 10 b represents the thermal melting under the Al-Mg-Zn MEAM potential function simulation.

[0050] Changes in temperature potential energy curve Figure 10As can be seen, when Mg unit cells are heated and melted under the Al-Mg-Zn MEAM potential function simulation, a significant transient change in potential energy occurs at 1150 K. Therefore, the melting point of Mg unit cells under the Al-Mg-Zn MEAM potential function simulation is determined to be 1150 K. Similarly, when Mg unit cells are heated and melted under the Mg-Zn MEAM potential function simulation, a significant transient change in potential energy occurs at 900 K. Therefore, the melting point of Mg unit cells under the Mg-Zn MEAM potential function simulation is determined to be 900 K. For the calculation of the Mg melting point, the melting point of Mg obtained by molecular dynamics calculation using the Mg-Zn MEAM potential function is closer to the actual melting point of Mg than the melting point obtained by the Al-Mg-Zn MEAM potential function. Since the experimental value of the Mg melting point is 923.15 K, the melting point of Mg obtained by molecular dynamics calculation using the Mg-Zn MEAM potential function is smaller than the experimental value. Generally, the theoretical melting point calculated by molecular dynamics is higher than the experimental value for the following four reasons: 1. Limitations of the potential function itself: The Mg-Al-Zn potential function used in molecular dynamics calculations describes interatomic interactions using an optimized interatomic potential function. Due to the embedded potential function, its accuracy is insufficient at high temperatures, resulting in a higher theoretical melting point than the experimental value. 2. Finite-size effect: Molecular dynamics simulations typically use finite-size simulation boxes, while experimental materials are macroscopic. The finite-size effect may lead to more ordered atomic arrangements in the simulation, requiring higher energy to break the crystal structure, resulting in a higher theoretical melting point. 3. Time-scale limitations: Molecular dynamics simulations are typically on the nanosecond scale, while the melting process in experiments may involve longer thermodynamic equilibrium periods. Short timescales may prevent the simulation from fully capturing the melting dynamics. 4. Boundary conditions: The periodic boundary conditions used in MD simulations may suppress surface effects, while surface defects and grain boundaries in experiments can lower the actual melting point.

[0051] Furthermore, the vacancy formation energy was calculated under different potential functions. Specifically, the vacancy formation energy of the Zn unit cell system was calculated and simulated using the Mg-Zn MEAM potential function and the Al-Mg-Zn MEAM many-body potential function. Vacancy formation defects increase the overall energy of the system. The vacancy formation energy represents the difference between the total energy of the system after losing one atom and the energy of the remaining atoms (N-1) in the unit cell system. The specific expression for the vacancy formation energy is:

[0052] In the above formula, N is the total number of atoms in the unit cell system. Energy for vacancy formation, This represents the total energy of a unit cell system after the loss of one atom. Let N be the energy of the remaining atoms (N-1) in the unit cell system. Using the expression for vacancy formation energy, molecular dynamics calculations of the vacancy formation energy of the Mg unit cell system were performed using two different many-body potential functions: the Mg-Zn MEAM potential function and the Al-Mg-Zn MEAM potential function. The unit cell system was designed with dimensions of 3.22613 nm × 11.1756 nm × 11.0247 nm. An atomic vacancy was formed at a 4 nm × 4 nm × 4 nm location in the center of the cell. The conjugate gradient algorithm was used to minimize the energy of the vacancy defect system. The results of the vacancy formation energy calculations using different potential functions are shown in Table 1 below. Table 1. Calculation of Zn cell vacancy formation energy under different potential functions

[0053] Since the experimental value of the Zn vacancy formation energy is 0.50 eV, the differences between the calculated vacancy formation energy and the experimental value using different potential functions are shown in Table 1. Table 1 shows that the vacancy formation energy of Zn cell calculated using the Mg-Zn MEAM potential function is too small, while the vacancy formation energy calculated using the Al-Mg-Zn MEAM potential function is too large. However, the vacancy formation energy of Zn calculated using the Al-Mg-Zn MEAM potential function is closer to the experimental value. Therefore, the Mg-Al-Zn MEAM many-body potential function is more suitable for simulating the molecular dynamics system in this paper.

[0054] S400. After determining and selecting a suitable potential function for the unit cell system, the tensile fracture simulation of the Mg-based Zn thin film containing the MgZn2 interface compound was further performed using the Lammps molecular dynamics software. Specifically, the structure file for the Lammps tensile simulation included fixed-period boundary conditions with a time step of 0.001 ps. Before stretching, NPT ensemble relaxation was used for 100 ps. After relaxation, energy minimization was performed using cg (common gradient algorithm). Biaxial static stretching was employed, with a strain rate of 0.5 ps. -1 Stress-strain curves were obtained after tensile fracture. The stress-strain curves of Mg-based Zn thin films containing interfacial compounds after tensile fracture were obtained by Lammps simulation of molecular dynamics, and microscopic interfacial fracture mechanical parameters were extracted from these curves. Specifically, this includes obtaining tensile fracture stress-strain curves in different directions from a molecular dynamics tensile model of a Mg-based Zn thin film containing interfacial compounds. From these six tensile fracture stress-strain curves, the tensile fracture strength and corresponding modulus in different directions can be obtained, specifically including the normal elastic modulus E / Enn and the first shear modulus G1 / E. ss Second shear modulus G2 / E ss Normal strength T o First shear strength S1, second shear strength S2, fracture energy G c ; Furthermore, it should be noted that the modulus calculated using Lammps molecular dynamics is the effective modulus. Since only plane strain applications are considered here, the correspondence between the effective modulus and the elastic modulus is as follows:

[0055] In the above formula This represents the effective modulus calculated using Lammps molecular dynamics, where v is Poisson's ratio; This parameter attribute was then applied to the finite element analysis software Abaqus for interface fracture analysis calculations. Furthermore, the normal elastic coefficient E / E nn The elastic modulus in the x-direction and the first shear modulus G1 / E can be used as the elastic modulus. ss That is, the elastic modulus in the xy direction and the second shear modulus G2 / E. ss That is, the elastic modulus in the xz direction and the normal strength T. o That is, the maximum tensile strength in the x direction, the first shear strength S1 is the maximum tensile strength in the xy direction, and the second shear strength S2 is the maximum tensile strength in the xz direction; Furthermore, the fracture energy G c It can be expressed by the following formula:

[0056] In the above formula, σ y L represents the stress along the tensile direction of the y-axis. y L represents the side length of the y-axis after the model is stretched. x L0 represents the side length of the model along the x-axis after stretching, and L0 represents the original side length of the model along the y-axis. The integral represents the area S enclosed by stress and strain along the stress-strain curve along the y-axis tensile direction, as a function of strain. The product of the original side length L0.

[0057] Furthermore, a geometric model of a Mg-based Zn thin-film vascular stent containing an interface compound was constructed using Abaqus finite element software. The material parameters of the Mg-based Zn thin-film vascular stent containing the interface compound were input into the material properties module of Abaqus. The interface compound in Abaqus was represented by cohesive elements. At the same time, the fracture mechanical parameters of the Mg-based Zn thin-film interface compound calculated by the Lammps molecular dynamics in step two were transferred to the material parameter properties of the cohesive elements in Abaqus. Specifically, the normal elastic modulus E / Enn, the first shear modulus G1 / Ess, the second shear modulus G2 / Ess, the normal strength To, the first shear strength S1, the second shear strength S2, and the fracture energy G have been calculated; these key mechanical parameters are then input into the material properties of the cohesive element in Abaqus. Specifically, the settings for the material property module of cohesive elements in Abaqus include: adopting a secondary damage mode and fracture energy damage evolution; the secondary damage mode includes: normal elastic modulus E / Enn, first shear modulus G1 / Ess, second shear modulus G2 / Ess, normal strength To, first shear strength S1, second shear strength S2, and fracture energy G. c Thus, the macro- and micro-interfacial fracture mechanical parameters 1b of Mg-based Zn thin films containing MgZn2 interfacial compounds were obtained; S500. Calculate the interfacial cracking characteristics of a Mg-based Zn thin-film vascular stent containing a MgZn2 interfacial compound during the expansion of a local "V"-shaped structure in Abaqus using parameters. Specifically, the interface compound, Mg substrate, and Zn film geometric components were assembled sequentially using Abaqus, meshed, analysis steps were set, contact relationships were set, and loading methods were set. The material properties of the Abaqus viscous elements were assigned using the transferred microscopic interface fracture mechanics parameters, and the local "V"-shaped part of the Mg-based Zn film vascular stent was constructed for expansion calculation 1c. S600. Using Abaqus finite element software, the defect locations and local stress concentrations of the Mg-based Zn thin-film vascular stent containing MgZn2 interface compounds are calculated and analyzed during the overall expansion process. The defect locations are consistent with those in 2d, so that corresponding improvements can be made to the stress concentration or interface crack locations through laser shock strengthening and local topology optimization. This invention provides a detailed description of a method for transferring mechanical parameters of interfacial fracture based on laser cladding composite layer disclosed in Example 1, using a Mg-based Zn thin-film vascular stent as an example. In practice, the method of Example 1 is applied to achieve the goal of solving the problems of the prior art.

[0058] Example 3: Based on the same inventive concept, this embodiment of the invention also provides a system for transferring mechanical parameters of interface fracture based on laser cladding composite layer, such as... Figure 11 It includes: a compound type and crystal structure acquisition unit, an optimal kinetic potential function determination unit, a stress-strain data acquisition unit for tensile fracture, a fracture mechanics parameter property acquisition unit, and a fracture analysis calculation unit; wherein: The compound type and crystal structure acquisition unit is used to acquire the interface compound type and crystal structure generated in the cladding composite layer; The optimal kinetic potential function determination unit is used to construct a stretched molecular dynamics model based on the type of interface compound and the crystal structure, and to determine the optimal kinetic potential function of the stretched molecular dynamics model. The stress-strain data acquisition unit for tensile fracture is used to perform molecular dynamics tensile simulation on the tensile molecular dynamics model through the optimal dynamic potential function to obtain the stress-strain data for tensile fracture. The fracture analysis calculation unit is used to obtain the fracture mechanical parameters of the micro-interface of the cladding composite layer containing the interface compound based on the stress-strain data. The fracture analysis calculation unit is used to construct a geometric model of a functional device or component containing a cladding composite layer of interfacial compounds, transfer the microscopic interfacial fracture mechanical parameters to the geometric model of the functional device or component, and perform interfacial fracture analysis calculations on the geometric model of the functional device or component.

[0059] The specific working methods of the compound type and crystal structure acquisition unit, the optimal kinetic potential function determination unit, the stress-strain data acquisition unit for tensile fracture, the fracture mechanics parameter property acquisition unit, and the fracture analysis calculation unit have been described in detail in Examples 1 and 2, and will not be repeated here.

[0060] Example 4: Based on the same inventive concept, this embodiment of the invention also provides an electronic device. Figure 12 This is a structural block diagram of an electronic device provided in an embodiment of the present invention. Figure 12 As shown, an embodiment of the present invention provides an electronic device including: one or more processors 101, a memory 102, and one or more I / O interfaces 103. The memory 102 stores one or more programs, which, when executed by the one or more processors, cause the one or more processors to implement any of the fracture mechanics parameter transfer methods described in the above embodiments; the one or more I / O interfaces 103 are connected between the processor and the memory, configured to enable information interaction between the processor and the memory.

[0061] The processor 101 is a device with data processing capabilities, including but not limited to a central processing unit (CPU); the memory 102 is a device with data storage capabilities, including but not limited to random access memory (RAM, more specifically SDRAM, DDR, etc.), read-only memory (ROM), electrically erasable programmable read-only memory (EEPROM), and flash memory (FLASH); the I / O interface (read / write interface) 103 is connected between the processor 101 and the memory 102, and can realize information interaction between the processor 101 and the memory 102, including but not limited to a data bus (Bus).

[0062] In some embodiments, the processor 101, memory 102, and I / O interface 103 are interconnected via bus 104, and thus connected to other components of the computing device.

[0063] In some embodiments, the one or more processors 101 include a field-programmable gate array.

[0064] This invention also provides a computer-readable medium. The computer-readable medium stores a computer program, which, when executed by a processor, implements the steps in any of the fracture mechanics parameter transfer methods described in the above embodiments. The computer-readable storage medium can be volatile or non-volatile.

[0065] This invention also provides a computer program product, including computer-readable code, or a non-volatile computer-readable storage medium carrying computer-readable code. When the computer-readable code is run in the processor of an electronic device, the processor in the electronic device executes the above-described fracture mechanics parameter transfer method.

[0066] Those skilled in the art will understand that all or some of the steps, systems, and apparatuses disclosed above, and their functional modules / units, can be implemented as software, firmware, hardware, or suitable combinations thereof. In hardware implementations, the division between functional modules / units mentioned above does not necessarily correspond to the division of physical components; for example, a physical component may have multiple functions, or a function or step may be performed collaboratively by several physical components. Some or all physical components may be implemented as software executed by a processor, such as a central processing unit, digital signal processor, or microprocessor, or as hardware, or as an integrated circuit, such as an application-specific integrated circuit (ASIC). Such software can be distributed on a computer-readable storage medium, which may include computer storage media (or non-transitory media) and communication media (or transient media).

[0067] As is known to those skilled in the art, the term computer storage medium includes volatile and non-volatile, removable and non-removable media implemented in any method or technology for storing information, such as computer-readable program instructions, data structures, program modules, or other data. Computer storage media includes, but is not limited to, random access memory (RAM), read-only memory (ROM), erasable programmable read-only memory (EPROM), static random access memory (SRAM), flash memory or other memory technologies, portable compact disc read-only memory (CD-ROM), digital versatile disc (DVD) or other optical disc storage, magnetic cartridges, magnetic tape, disk storage or other magnetic storage devices, or any other medium that can be used to store desired information and is accessible to a computer. Furthermore, it is known to those skilled in the art that communication media typically contain computer-readable program instructions, data structures, program modules, or other data in modulated data signals such as carrier waves or other transmission mechanisms, and may include any information delivery medium.

[0068] The computer-readable program instructions described herein can be downloaded from computer-readable storage media to various computing / processing devices, or downloaded via a network, such as the Internet, local area network, wide area network, and / or wireless network, to an external computer or external storage device. The network may include copper transmission cables, fiber optic transmission, wireless transmission, routers, firewalls, switches, gateway computers, and / or edge servers. A network adapter card or network interface in each computing / processing device receives the computer-readable program instructions from the network and forwards them to the computer-readable storage media in the respective computing / processing device.

[0069] The computer program instructions used to perform the operations of this invention may be assembly instructions, instruction set architecture (ISA) instructions, machine instructions, machine-dependent instructions, microcode, firmware instructions, state setting data, or source code or object code written in any combination of one or more programming languages, including object-oriented programming languages ​​such as Smalltalk, C++, etc., and conventional procedural programming languages ​​such as the "C" language or similar programming languages. The computer-readable program instructions may be executed entirely on the user's computer, partially on the user's computer, as a standalone software package, partially on the user's computer and partially on a remote computer, or entirely on a remote computer or server. In cases involving a remote computer, the remote computer may be connected to the user's computer via any type of network—including a local area network (LAN) or a wide area network (WAN)—or may be connected to an external computer (e.g., via the Internet using an Internet service provider). In some embodiments, electronic circuitry, such as programmable logic circuitry, field-programmable gate arrays (FPGAs), or programmable logic arrays (PLAs), is personalized by utilizing state information from the computer-readable program instructions. This electronic circuitry can execute the computer-readable program instructions to implement various aspects of the invention.

[0070] The computer program product described herein can be implemented specifically through hardware, software, or a combination thereof. In one alternative embodiment, the computer program product is specifically embodied in a computer storage medium; in another alternative embodiment, the computer program product is specifically embodied in a software product, such as a software development kit (SDK), etc.

[0071] Various aspects of the present invention are described herein with reference to flowchart illustrations and / or block diagrams of methods, apparatus (systems), and computer program products according to embodiments of the invention. It should be understood that each block of the flowchart illustrations and / or block diagrams, and combinations of blocks in the flowchart illustrations and / or block diagrams, can be implemented by computer-readable program instructions.

[0072] These computer-readable program instructions can be provided to a processor of a general-purpose computer, a special-purpose computer, or other programmable data processing apparatus to produce a machine such that, when executed by the processor of the computer or other programmable data processing apparatus, they create means for implementing the functions / actions specified in one or more blocks of the flowchart and / or block diagram. These computer-readable program instructions can also be stored in a computer-readable storage medium that causes a computer, programmable data processing apparatus, and / or other device to operate in a particular manner; thus, the computer-readable medium storing the instructions comprises an article of manufacture that includes instructions for implementing aspects of the functions / actions specified in one or more blocks of the flowchart and / or block diagram.

[0073] Computer-readable program instructions may also be loaded onto a computer, other programmable data processing apparatus, or other device to cause a series of operational steps to be performed on the computer, other programmable data processing apparatus, or other device to produce a computer-implemented process, thereby causing the instructions executed on the computer, other programmable data processing apparatus, or other device to perform the functions / actions specified in one or more boxes of a flowchart and / or block diagram.

[0074] 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 the present invention. In this regard, each block in a flowchart or block diagram may represent a module, segment, or portion of an instruction, which contains one or more executable instructions for implementing a specified logical function. In some alternative implementations, the functions marked in the blocks may occur in a different order than those shown in the drawings. For example, two consecutive 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 the block diagrams and / or flowcharts, and combinations of blocks in the block diagrams and / or flowcharts, may be implemented using a dedicated hardware-based system that performs the specified function or action, or using a combination of dedicated hardware and computer instructions.

[0075] Example embodiments have been disclosed herein, and while specific terminology has been used, it is for illustrative purposes only and should be construed as such, and is not intended to be limiting. In some instances, it will be apparent to those skilled in the art that features, characteristics, and / or elements described in conjunction with particular embodiments may be used alone, or in combination with features, characteristics, and / or elements described in conjunction with other embodiments, unless otherwise expressly indicated. Therefore, those skilled in the art will understand that various changes in form and detail may be made without departing from the scope of the invention as set forth in the appended claims.

Claims

1. A method for transferring interfacial fracture mechanical parameters based on laser cladding composite layers, characterized in that, include: To obtain the type and crystal structure of the interfacial compounds generated in the cladding composite layer; Based on the type of interface compound and crystal structure, a stretching molecular dynamics model is constructed, and the optimal kinetic potential function of the stretching molecular dynamics model is determined. Molecular dynamics tensile simulation is performed on the tensile molecular dynamics model using the optimal kinetic potential function to obtain stress-strain data for tensile fracture. The microscopic interface fracture mechanical parameters of the cladding composite layer containing the interface compound are obtained based on the stress-strain data. A geometric model of a functional device or component containing a cladding composite layer of interfacial compounds is constructed. The microscopic interfacial fracture mechanics parameters are transferred to the geometric model of the functional device or component, and interfacial fracture analysis calculations are performed on the geometric model of the functional device or component.

2. The fracture mechanics parameter transfer method as described in claim 1, characterized in that, The specific method for determining the optimal kinetic potential function of the stretching molecular dynamics model includes: performing kinetic calculations to verify the single-atom crystal structure of the cladding composite layer containing interface compounds through crystal structure transformation, molecular dynamic calculations to verify the Young's modulus, calculations at the melting point, and calculations at the vacancy formation energy, thereby determining the optimal kinetic potential function of the stretching molecular dynamics model.

3. The fracture mechanics parameter transfer method as described in claim 1, characterized in that, Molecular dynamics stretching simulation is performed on the stretched molecular dynamics model using the optimal kinetic potential function. Specific steps include: The initialization command sets the basic parameters of the stretching simulation, which include at least time, step size, temperature, and pressure. Define the basic information of an atom, including at least the type of atom, the position of the atom, and the velocity of the atom; An optimal dynamic potential function is introduced, which is used to optimally represent interatomic interactions; The system box and boundary conditions are set, including at least the cell definition and box parameters, the type of boundary conditions, and the basic parameters of the simulation. The control instructions are defined to define the execution flow of the simulation, including at least the calculation cycle and the output frequency.

4. The fracture mechanics parameter transfer method according to claim 1, characterized in that, The microscopic interface fracture mechanical parameters of the cladding composite layer containing the interface compound are obtained based on the stress-strain data. The specific method includes: performing a tensile simulation in six directions on the dynamic tensile model containing the interface compound to obtain the tensile fracture stress-strain curves in six directions, and obtaining the interface fracture mechanical parameters from the tensile fracture stress-strain curves in six directions.

5. The fracture mechanics parameter transfer method according to claim 4, characterized in that, The interface fracture mechanics parameters represent the tensile fracture strength and corresponding modulus in different directions, specifically including the normal elastic modulus E / Enn and the first shear modulus G1 / E. ss Second shear modulus G2 / E ss Normal strength T o First shear strength S1, second shear strength S2, fracture energy G c ; where the normal elastic coefficient E / E nn G1 / E represents the elastic modulus in the x-direction, the first shear modulus. ss G2 / E represents the elastic modulus in the x and y directions, and the second shear modulus. ss T represents the elastic modulus in the xz direction and the normal strength. o S1 represents the maximum tensile strength in the x-direction, S2 represents the maximum tensile strength in the xy-direction, and S3 represents the maximum tensile strength in the xz-direction.

6. The fracture mechanics parameter transfer method according to claim 5, characterized in that, The fracture energy G c The calculation formula is: ； Where, σ y L represents the stress along the tensile direction of the y-axis. y L represents the side length of the y-axis after the model is stretched. x L0 represents the side length of the model along the x-axis after stretching, and L0 represents the original side length of the model along the y-axis. The integral represents the area S enclosed by stress and strain along the stress-strain curve along the y-axis tensile direction, as a function of strain. The product of the original side length L0.

7. The fracture mechanics parameter transfer method according to claim 1, characterized in that, Geometric models of functional devices or components containing interfacial compounds were constructed using Abaqus finite element software. Material parameters of the cladding layer and the thin film cladding layer were input into the material properties module of Abaqus. The interfacial compound was represented by cohesive elements in Abaqus. The fracture mechanics parameters were transferred using the material parameters of the cohesive elements in Abaqus. The geometric models of functional devices or components containing interfacial compounds were simulated under different loading conditions.

8. The fracture mechanics parameter transfer method according to claim 7, characterized in that, Also includes: After loading and analyzing the geometric model of a functional device or component containing an interface compound under different operating conditions, it is also possible to predict the macroscopic structural defects of the interface fracture of the functional device or component, and optimize the process parameters and geometric design. Specifically, this includes: macroscopically analyzing the evolution mechanism of interface cracking through Abaqus finite element method, predicting the macroscopic structural defects of the interface fracture of the functional device or component based on the evolution mechanism, and improving the process parameters or strengthening them through relevant technical means based on the macroscopic structural defects of the interface.

9. A fracture mechanics parameter transfer system based on laser cladding composite layer interface, employing the fracture mechanics parameter transfer method described in any one of claims 1-8, characterized in that, include: The system includes units for obtaining compound type and crystal structure, determining optimal kinetic potential function, acquiring stress-strain data for tensile fracture, acquiring fracture mechanics parameter properties, and performing fracture analysis calculations; among which: The compound type and crystal structure acquisition unit is used to acquire the interface compound type and crystal structure generated in the cladding composite layer; The optimal kinetic potential function determination unit is used to construct a stretched molecular dynamics model based on the type of interface compound and the crystal structure, and to determine the optimal kinetic potential function of the stretched molecular dynamics model. The stress-strain data acquisition unit for tensile fracture is used to perform molecular dynamics tensile simulation on the tensile molecular dynamics model through the optimal dynamic potential function to obtain the stress-strain data for tensile fracture. The fracture analysis calculation unit is used to obtain the fracture mechanical parameters of the micro-interface of the cladding composite layer containing the interface compound based on the stress-strain data. The fracture analysis calculation unit is used to construct a geometric model of a functional device or component containing a cladding composite layer of interfacial compounds, transfer the microscopic interfacial fracture mechanical parameters to the geometric model of the functional device or component, and perform interfacial fracture analysis calculations on the geometric model of the functional device or component.

10. An electronic device, comprising: One or more processors; Memory, used to store one or more programs; When the one or more programs are executed by the one or more processors, the one or more processors implement the fracture mechanics parameter transfer method of any one of claims 1-8.

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