Laser cladding composite layer interface fracture mechanics parameter transmission method and system and electronic equipment

Abstract

The application provides a laser cladding composite layer interface fracture mechanics parameter transmission method, which comprises the following steps: obtaining the interface compound type and crystal structure generated in the cladding composite layer; constructing a tensile molecular dynamics model according to the interface compound type and crystal structure, and determining the optimal kinetic potential function of the tensile molecular dynamics model; performing molecular dynamics tensile simulation on the tensile molecular dynamics model through the optimal kinetic potential function to obtain stress-strain data of tensile fracture; obtaining the micro-interface fracture mechanics parameter attribute of the cladding composite layer containing the interface compound according to the stress-strain data; and transmitting the micro-interface fracture mechanics parameter attribute to the functional device or part geometric model to perform interface fracture analysis and calculation on the functional device or part geometric model. The application solves the problem that the interface compound of the cladding composite layer is difficult to characterize the mechanical fracture characteristics due to the small scale.

Description

TECHNICAL FIELD

[0001] The present application relates to the technical field of interface fracture mechanics calculation, and in particular to an interface fracture mechanics parameter transmission method and system based on a laser cladding composite layer and an electronic device. BACKGROUND

[0002] Interface mechanics problems are generally encountered in the manufacturing process of the industry. Interface compounds are often generated in the manufacturing or experimental process of thin film coating or laser cladding composite layer, such as different composite cladding layers generated by laser 3D / 4D printing deposition, interface compounds between cladding layers; different thin film coatings deposited by magnetron sputtering, interface compounds between thin film coatings and substrates; different thin film coatings deposited by high-temperature spraying sputtering, interface compounds between thin film coatings and substrates, and the like. The existence of the interface compounds can seriously affect the fracture mechanics properties of the interface. The conventional interface compounds are usually difficult to characterize the mechanical fracture properties by conventional technical means due to the small size. Therefore, there is an urgent need for an interface fracture mechanics parameter transmission method based on a laser cladding composite layer to solve the problems in the prior art. SUMMARY

[0003] The present application aims to solve at least one of the technical problems in the prior art, and provides an interface fracture mechanics parameter transmission method based on a laser cladding composite layer, a system and an electronic device.

[0004] In a first aspect, the present application provides an interface fracture mechanics parameter transmission method based on a laser cladding composite layer, comprising:

[0005] Obtaining the type and crystal structure of the interface compound generated in the cladding composite layer;

[0006] According to the type and crystal structure of the interface compound, a tensile molecular dynamics model is constructed, and an optimal kinetic potential function of the tensile molecular dynamics model is determined;

[0007] The tensile molecular dynamics model is simulated by the optimal kinetic potential function to obtain stress-strain data of tensile fracture;

[0008] According to the stress-strain data, the micro interface fracture mechanics parameter properties of the cladding composite layer containing the interface compound are obtained;

[0009] A functional device or component geometric model of the cladding composite layer containing the interface compound is constructed, the micro interface fracture mechanics parameter properties are transmitted to the functional device or component geometric model, and interface fracture analysis and calculation are performed on the functional device or component geometric model.

[0010] Further, the specific method for determining the optimal kinetic potential function of the tensile molecular dynamics model comprises: performing molecular dynamics calculation verification on the single-atom crystal structure of the cladding composite layer containing the interfacial compound through crystal structure transition, molecular dynamics calculation verification on Young's modulus, calculation verification at the melting point, and calculation verification at the vacancy formation energy, to determine the optimal kinetic potential function of the tensile molecular dynamics model.

[0011] Further, the specific steps of performing molecular dynamics tensile simulation on the tensile molecular dynamics model through the optimal kinetic potential function comprise:

[0012] initialization instructions for setting basic parameters of the tensile simulation, the basic parameters at least including time, step length, temperature, and pressure;

[0013] defining basic information of atoms, at least including types of atoms, positions of atoms, and velocities of atoms;

[0014] introducing the optimal kinetic potential function, the optimal kinetic potential function being used for optimal representation of interatomic interaction;

[0015] setting a system box and boundary conditions, at least including definition of a unit cell, box parameters, and types and settings of boundary conditions, and setting basic parameters of the simulation;

[0016] defining control instructions, the control instructions being used for defining an execution flow of the simulation, at least including calculation period and output frequency.

[0017] Further, the micro-interface fracture mechanics parameter properties of the cladding composite layer containing the interfacial compound are obtained according to the stress-strain data, and the specific method comprises: performing tensile simulation in six directions on the tensile model of the cladding composite layer containing the interfacial compound, to obtain tensile fracture stress-strain curves in the six directions, and obtaining the interface fracture mechanics parameter properties from the tensile fracture stress-strain curves in the six directions.

[0018] Further, the interface fracture mechanics parameter properties represent tensile fracture strengths in different directions and corresponding moduli, and specifically include normal elastic coefficient E / Enn, first shear elastic modulus G1 / E ss , second shear elastic modulus G2 / E ss , normal strength T o , first shear strength S1, second shear strength S2, and fracture energy G c ; wherein the normal elastic coefficient E / E nn represents an elastic coefficient in the x direction, the first shear elastic modulus G1 / E ss represents an elastic modulus in the xy direction, and the second shear elastic modulus G2 / E ssElastic modulus in the xz direction, normal strength T o Maximum tensile strength in the x direction, first shear strength S1 maximum tensile strength in the xy direction, and second shear strength S2 maximum tensile strength in the xz direction.

[0019] Further, the fracture energy G c The calculation formula is:

[0020]

[0021] Where σ y Indicates the stress along the y-axis tensile direction, L y Indicates the edge length of the y-axis after the model is stretched, L x Indicates the edge length of the x-axis after the model is stretched, and L0 indicates the original edge length of the y-axis of the model. The integral represents the area S enclosed by the stress-strain curve along the y-axis tensile direction, and the strain The product of the original edge length L0.

[0022] Further, the functional device or part containing the interfacial compound of the cladding composite layer is constructed by using Abaqus finite element software, the material parameter properties of the cladding layer and the thin film cladding layer are input in the material attribute module in Abaqus, the interfacial compound is represented by the cohesive element in Abaqus, the material parameters of the cohesive element in Abaqus are used to perform parameter transmission by using the fracture mechanics parameter properties, and the functional device or part containing the interfacial compound is simulated by loading and analyzing different working conditions of the geometric model.

[0023] Further, the interfacial fracture mechanics parameter transmission method based on the laser cladding composite layer further comprises: after the functional device or part containing the interfacial compound is simulated by loading and analyzing different working conditions of the geometric model, the interface fracture macrostructure defects of the functional device or part can be predicted, the process parameters and the geometric structure design are optimized, and specifically, the evolution mechanism of the interface cracking is analyzed by using Abaqus finite element macro, the interface fracture macrostructure defects of the functional device or part are predicted according to the evolution mechanism, and the process parameters are improved or the related technical means are strengthened according to the macrostructure defects of the interface.

[0024] In a second aspect, the application further discloses an interfacial fracture mechanics parameter transmission system based on a laser cladding composite layer, which adopts the fracture mechanics parameter transmission method and comprises a compound type and crystal structure acquisition unit, an optimal kinetic potential function determination unit, a stress-strain data acquisition unit of tensile fracture, a fracture mechanics parameter attribute acquisition unit and a fracture analysis calculation unit.

[0025] A compound type and crystal structure acquisition unit is configured to acquire an interfacial compound type and crystal structure generated in a cladded composite layer;

[0026] An optimal kinetic potential function determination unit is configured to construct a tensile molecular dynamics model according to the interfacial compound type and crystal structure, and determine an optimal kinetic potential function of the tensile molecular dynamics model;

[0027] A tensile fracture stress-strain data acquisition unit is configured to perform a molecular dynamics tensile simulation on the tensile molecular dynamics model by using the optimal kinetic potential function, and obtain tensile fracture stress-strain data;

[0028] A fracture analysis calculation unit is configured to obtain a micro-interface fracture mechanics parameter attribute of the cladded composite layer containing the interfacial compound according to the stress-strain data;

[0029] The fracture analysis calculation unit is configured to construct a functional device or part geometric model of the cladded composite layer containing the interfacial compound, transfer the micro-interface fracture mechanics parameter attribute to the functional device or part geometric model, and perform an interface fracture analysis calculation on the functional device or part geometric model.

[0030] In a third aspect, an electronic device is disclosed, including:

[0031] One or more processors;

[0032] A memory configured to store one or more programs;

[0033] When the one or more programs are executed by the one or more processors, the one or more processors are caused to implement the fracture mechanics parameter transfer method.

[0034] The application provides a laser cladding composite layer interface fracture mechanics parameter transmission method, interface compound types and crystal structures generated in the cladding composite layer are acquired; a tensile molecular dynamics model is constructed according to the interface compound types and the crystal structures, and an optimal kinetic potential function of the tensile molecular dynamics model is determined; molecular dynamics tensile simulation is performed on the tensile molecular dynamics model through the optimal kinetic potential function, and stress-strain data of tensile fracture are obtained; micro-interface fracture mechanics parameter properties of the cladding composite layer containing the interface compound are obtained according to the stress-strain data; and the micro-interface fracture mechanics parameter properties are transmitted to a functional device or part geometric model, and interface fracture analysis and calculation are performed on the functional device or part geometric model. The application has at least the following beneficial effects: the application calculates key parameter properties of micro-interface fracture mechanics at an atomic scale through molecular dynamics calculation software Lammps, and applies the key parameter properties to the research on the macro-interface cohesive force unit interface mechanics failure behavior of finite element calculation software Abaqus, and the application solves the problem that the interface compound of the cladding composite layer is difficult to characterize the mechanical fracture characteristics due to small scale in the prior art. BRIEF DESCRIPTION OF DRAWINGS

[0035] Figure 1 A flowchart of a laser cladding composite layer interface fracture mechanics parameter transmission method provided by the application is shown in the figure;

[0036] Figure 2 A schematic diagram of transmission of molecular dynamics of Lammps to macro finite element interface mechanics parameters of Abaqus and simulation application in a device is shown in the figure;

[0037] Figure 3 A schematic diagram of total energy of Mg and Zn systems after relaxation of an Al-Mg-Zn MEAM many-body potential function is shown in the figure, wherein Figure 3 a is a Mg crystal cell structure, Figure 3 b is a Zn crystal cell structure;

[0038] Figure 4 A schematic diagram of total energy of Mg and Zn systems after relaxation of a Mg-Zn MEAM many-body potential function is shown in the figure, wherein, Figure 4 a is a Mg crystal cell structure, Figure 4 b is a Zn crystal cell structure;

[0039] Figure 5 A HCP crystal cell structure diagram of Mg and Zn after relaxation of an Al-Mg-Zn MEAM many-body potential function is shown in the figure, wherein, Figure 5 a is a Mg crystal cell structure, Figure 5 b is a Zn crystal cell structure;

[0040] Figure 6Fig. 1 is a diagram of HCP cell structure of Mg and Zn after relaxation of Mg-Zn MEAM many-body potential function, wherein, Figure 6 a is the cell structure of Mg, Figure 6 b is the cell structure of Zn;

[0041] Figure 7 Fig. 2 is a diagram of biaxial static tensile fracture of Mg cell under different many-body potential functions, wherein, Figure 7 a is tensile fracture of Mg cell under Al-Mg-Zn MEAM potential function simulation; Figure 7 b is tensile fracture of Mg cell under Mg-Zn MEAM potential function simulation;

[0042] Figure 8 Fig. 3 is a stress-strain curve of tensile direction of Mg cell under different many-body potential functions;

[0043] Figure 9 Fig. 4 is a diagram of molten cell state under different potential functions;

[0044] Figure 10 Fig. 5 is a potential energy curve of molten temperature of Mg cell under different many-body potential functions, Figure 10 a is molten under Mg-Zn MEAM potential function simulation; Figure 10 b is molten under Al-Mg-Zn MEAM potential function simulation;

[0045] Figure 11 Fig. 6 is a structural block diagram of a laser cladding composite layer interface fracture mechanics parameter transmission system;

[0046] Figure 12 Fig. 7 is a structural block diagram of an electronic device provided by an embodiment of the present application. DETAILED DESCRIPTION

[0047] In order for those skilled in the art to better understand the technical solutions of the present application, the exemplary embodiments of the present application are described below with reference to the accompanying drawings, which include various details of the embodiments of the present application to help understanding, and should be considered as 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 application. Also, in order to be clear and concise, the description below omits the description of well-known functions and structures.

[0048] In the case of no conflict, the embodiments of the present application and the features in the embodiments can be combined with each other.

[0049] As used herein, the term "and / or" includes any and all combinations of one or more of the associated listed items.

[0050] The terminology used herein is for the purpose of describing particular embodiments only and is not intended to be limiting of the application. As used herein, the singular forms "a", "an" and "the" are intended to include the plural forms as well, unless the context clearly indicates otherwise. It will be further understood that the terms "comprises" and / or "comprising," when used in this specification, specify the presence of stated features, integers, steps, operations, elements, and / or components, but do not preclude the presence or addition of one or more other features, integers, steps, operations, elements, components, and / or groups thereof. "Coupled" or "connected" or similar terms are not restricted to physical or mechanical connections or associations, but can also include electrical connections, whether direct or indirect.

[0051] Unless otherwise defined, all terms (including technical and scientific terms) used herein have the same meaning as commonly understood by one of ordinary skill in the art. It will be further understood that terms, such as those defined in commonly used dictionaries, should be interpreted as having a meaning that is consistent with their meaning in the context of the relevant art and the present disclosure, and will not be interpreted in an overly literal or overly formal sense unless expressly so defined herein.

[0052] In the technical solutions of the present application, the collection, storage, use, processing, transmission, provision and disclosure of user personal information comply with relevant laws and regulations and do not violate public order and good customs. The use of user data in the technical solutions complies with relevant national laws and regulations (for example, "Information Security Technology Personal Information Security Specification" and the like). For example, appropriate measures are taken for personal information access control; the display of personal information is limited as specified; the use purpose of personal information does not exceed the direct or reasonably related range; the use of personal information eliminates explicit identity pointing and avoids precise positioning to a specific individual.

[0053] To solve at least one of the technical problems existing in the related art, the present application provides a laser cladding composite layer interface fracture mechanics parameter transmission method and system and electronic equipment.

[0054] Embodiment 1: The present embodiment discloses a laser cladding composite layer interface fracture mechanics parameter transmission method, which comprises the steps of: Figure 1 , including:

[0055] S100. Obtain the interface compound type and crystal structure of the cladding composite layer;

[0056] In the embodiment, the interfacial compound of the cladded composite layer refers to the interfacial compound generated in the process of manufacturing the thin film coating or the production or experiment of the laser cladded composite layer, which can be the interfacial compound generated between the laser 3D or laser 4D printing cladded layer and the cladded layer, the interfacial compound generated through rolling between different layers of materials, or the compound generated through physical vapor deposition, chemical vapor deposition, molecular beam epitaxy, physical spraying, powder metallurgy or other methods capable of generating the interfacial compound. After obtaining the interfacial compound of the cladded composite layer, the type and crystal structure of the compound are determined through X-ray diffraction experiment and transmission electron microscope experiment.

[0057] S200. According to the type and crystal structure of the interfacial compound, a stretched molecular dynamics model is constructed, and an optimal kinetic potential function of the stretched molecular dynamics model is determined.

[0058] Specifically, after determining the type and crystal structure of the compound, a stretched molecular dynamics model is constructed according to the type and crystal structure of the interfacial compound. After constructing the stretched molecular dynamics model, an optimal kinetic potential function of the stretched molecular dynamics model is determined. In the embodiment, the specific method for determining the optimal kinetic potential function of the stretched molecular dynamics model includes: performing molecular dynamics calculation verification of the single-atom crystal structure of the cladded composite layer containing the interfacial compound through crystal structure transformation, molecular dynamics calculation verification of Young's modulus, calculation verification at the melting point, and calculation verification at the vacancy formation energy, to determine the optimal kinetic potential function of the stretched molecular dynamics model.

[0059] Specifically, the molecular dynamics potential function contains atoms of all thin film coatings or cladded layers containing the interfacial compound and the interfacial compound, and can represent the interaction force between different atoms. The molecular dynamics potential function should ensure its correctness, including molecular dynamics calculation verification of the crystal structure transformation of the cladded layer or the substrate and the thin film by applying the molecular dynamics potential function, molecular dynamics calculation verification of Young's modulus, calculation verification at the melting point, and calculation verification at the vacancy formation energy, to finally determine 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 the molecular dynamics calculation with the experimental values.

[0060] S300. The stretched molecular dynamics model is subjected to molecular dynamics stretching simulation through the optimal kinetic potential function, to obtain stress-strain data of tensile fracture. Specifically, the optimal molecular dynamics potential function is subjected to molecular dynamics stretching simulation of the thin film coating or the cladded layer containing the interfacial compound through the Lammps software, to obtain stress-strain data of tensile fracture.

[0061] In the embodiment, the molecular dynamics tensile simulation is performed on the tensile molecular dynamics model by using the optimal kinetic potential function, and the specific steps include:

[0062] Initialization instructions are used to set basic parameters of the tensile simulation, and the basic parameters at least include time, step length, temperature and pressure;

[0063] Atomic basic information is defined, and the atomic basic information at least includes types of atoms, positions of atoms and velocities of atoms;

[0064] The optimal kinetic potential function is introduced, and the optimal kinetic potential function is used to optimally represent atomic interactions;

[0065] The system box and the boundary condition are set, and the system box and the boundary condition at least include cell definition, box parameters, types and settings of the boundary condition and basic parameters of the simulation;

[0066] Control instructions are defined, and the control instructions are used to define an execution flow of the simulation, and the control instructions at least include calculation period and output frequency.

[0067] S400. According to the stress-strain data, the micro-interface fracture mechanics parameter properties of the cladding composite layer containing the interface compound are obtained;

[0068] In the embodiment, according to the stress-strain data, the micro-interface fracture mechanics parameter properties of the cladding composite layer containing the interface compound are obtained, and the specific method includes: performing tensile simulation in six directions on the tensile molecular dynamics model containing the interface compound to obtain tensile fracture stress-strain curves in the six directions, and obtaining the interface fracture mechanics parameter properties from the tensile fracture stress-strain curves in the six directions.

[0069] Specifically, the interface fracture mechanics parameter properties can be obtained from the tensile fracture stress-strain curves in the six directions by using the tensile molecular dynamics model of the thin film coating or the cladding layer containing the interface compound, and the interface fracture mechanics parameter properties represent tensile fracture strengths in different directions and corresponding moduli, and specifically include normal elastic coefficient E / Enn, first shear elastic modulus G1 / E ss , second shear elastic modulus G2 / E ss , normal strength T o , first shear strength S1, second shear strength S2 and fracture energy G c ; wherein, the normal elastic coefficient E / E nn represents an elastic coefficient in the x direction, the first shear elastic modulus G1 / E ss represents an elastic modulus in the xy direction, the second shear elastic modulus G2 / E ss represents an elastic modulus in the xz direction, and the normal strength To The maximum tensile strength in the x direction is represented by S1, the first shear strength S1 represents the maximum tensile strength in the xy direction, and the second shear strength S2 represents the maximum tensile strength in the xz direction.

[0070] In some preferred embodiments, the fracture energy G c The calculation formula is as follows:

[0071]

[0072] Wherein, σ y represents the stress along the y-axis tensile direction, L y represents the edge length of the y-axis after the model is stretched, L x represents the edge length of the x-axis after the model is stretched, and L0 represents the original edge length of the model in the y-axis direction. The integral represents the area S enclosed by the stress-strain curve along the y-axis tensile direction and the strain The product of the original edge length L0.

[0073] In this embodiment, the modulus calculated by Lammps molecular dynamics is the effective modulus. Since only the plane strain application scenario is considered here, the corresponding relationship between the effective modulus and the elastic modulus is as follows:

[0074]

[0075] In the above formula, E represents the effective modulus calculated by Lammps molecular dynamics, and v is the Poisson's ratio; and the parameter attribute is applied to the finite element analysis software.

[0076] S500. Construct a functional device or part geometric model containing an interfacial compound cladding layer, transfer the micro interfacial fracture mechanics parameter attribute to the functional device or part geometric model, and perform interfacial fracture analysis calculation on the functional device or part geometric model.

[0077] In the embodiment, the functional device or part containing the interface compound is constructed by using the Abaqus finite element software, the material parameter properties of the cladding layer and the thin film cladding layer are input in the material property module in Abaqus, the interface compound is represented by the cohesive element in Abaqus, the material parameters of the cohesive element in Abaqus are transmitted by using the fracture mechanics parameters, and the interface fracture analysis of the functional device or part is simulated by loading different working conditions.

[0078] Specifically, the functional device or part containing the interface compound is constructed by using the Abaqus finite element software, the material parameter properties of the cladding layer and the thin film cladding layer are input in the material property module in Abaqus, the interface compound is represented by the cohesive element in Abaqus, the material parameters of the cohesive element in Abaqus are transmitted by using the fracture mechanics parameters, and the interface fracture analysis of the functional device or part is simulated by loading different working conditions.

[0079] Specifically, the material property module of the cohesive element in Abaqus is set, specifically including: adopting a secondary damage mode and a fracture energy damage evolution; the secondary damage mode includes: a normal elastic coefficient E / E nn , a first shear elastic modulus G1 / E ss , a second shear elastic modulus G2 / E ss , a normal strength T o , a first shear strength S1, a second shear strength S2, and a fracture energy G c ; further, the interface compound, the substrate (cladding layer), the thin film / coating, and the cladding layer are sequentially assembled by Abaqus, meshing is performed, an analysis step is set, a contact relationship is set, a loading mode is set, and the interface fracture analysis of the functional device or part is calculated.

[0080] In some preferred embodiments, the laser cladding composite layer interface fracture mechanics parameter transfer method further comprises: S600. After the functional device or part geometric model containing the interface compound is loaded and analyzed under different working conditions, the interface fracture macroscopic structural defects of the functional device or part can be predicted, and the process parameters and geometric structure design can be optimized.

[0081] Specifically, the evolution mechanism of interface cracking is analyzed by Abaqus finite element macroscopic analysis, the interface fracture macroscopic structural defects of the functional device or part are predicted according to the evolution mechanism, the process parameters are improved according to the macroscopic structural defects of the interface, or the interface cracking, warping and delamination are prevented from industrial manufacturing by related technical means.

[0082] The laser cladding composite layer interface fracture mechanics parameter transfer method disclosed in the embodiment obtains the type and crystal structure of the interface compound generated in the cladding composite layer, constructs a tensile molecular dynamics model according to the type and crystal structure of the interface compound, determines an optimal kinetic potential function of the tensile molecular dynamics model, performs molecular dynamics tensile simulation on the tensile molecular dynamics model by using the optimal kinetic potential function, obtains stress-strain data of tensile fracture, obtains the micro interface fracture mechanics parameter properties of the cladding composite layer containing the interface compound according to the stress-strain data, and transfers the micro interface fracture mechanics parameter properties to the functional device or part geometric model to perform interface fracture analysis and calculation on the functional device or part geometric model. The method solves the problem in the prior art that the interface compound of the cladding composite layer is difficult to characterize the mechanical fracture characteristics due to the small size.

[0083] Embodiment 2: Based on the same inventive concept, the Mg-based Zn film vascular stent is taken as an example to illustrate the embodiment, and the specific steps are as follows Figure 2 , including:

[0084] S100. First, the laser 3D / 4D printing is used to build a composite cladding layer of Zn on a Mg substrate by laser cladding, and an X-ray diffraction device and other experimental means such as a field emission scanning electron microscope are used to characterize the type and crystal structure characteristics of the interface compound.

[0085] S200. In S100, it is determined that the structure of the interface compound is MgZn2, which is a close-packed hexagonal crystal structure compound, and a Mg-based Zn film molecular dynamics model 2a containing the MgZn2 interface compound is constructed. In order to avoid the mismatch of the length of the molecular dynamics tensile model composed of Mg unit cell, Zn unit cell and MgZn2 unit cell in X, Y and Z axes, the width of the Mg-based Zn film molecular dynamics model 2a containing the MgZn2 interface compound in Y direction is 25 nm, the height in Z direction is 11 nm, and the width in X direction is 3.27 nm. The Mg-based Zn film molecular dynamics model 2a containing the MgZn2 interface compound includes a tensile model containing an initial crack in the interface;

[0086] S300. The single-atom crystal structure of the related atoms of the thin film coating or cladding layer containing the MgZn2 interface compound is verified by molecular dynamics calculation of crystal structure transformation, molecular dynamics calculation of Young's modulus, calculation at melting point, and calculation at vacancy formation energy, to determine the correct and appropriate molecular dynamics potential function;

[0087] Specifically, the box size of the unit cell system is 3.2158 nm x 11.4433 nm x 10.9929 nm, Mg with a close-packed hexagonal (HCP) structure and Zn with a HCP structure are used under the same boundary conditions P, P (periodic boundary conditions) and NPT ensemble, and different many-body potential functions are used to relax at room temperature for 20000 ps, while ensuring that the system of the simulation box is the same. The energy of the whole system is minimized by the cg conjugate gradient algorithm. Before simulation, the Mg unit cell system and the Zn unit cell system are both HCP structures.

[0088] The total energy of the Mg and Zn system after relaxation for 20000 ps by the Al-Mg-Zn MEAM many-body potential function is shown in Figure 3 Figure 3 a is the crystal cell structure of Mg, Figure 3 b is the crystal cell structure of Zn, and Figure 3 From the above, it can be seen that after relaxation for 20000 steps by the Al-Mg-Zn MEAM many-body potential function, the Mg and Zn unit cell systems are balanced. In order to compare the relationship between the total energy and the relaxation time of the Mg unit cell and the Zn unit cell after relaxation for 20000 ps by the Al-Mg-Zn MEAM many-body potential function and the Mg-Zn MEAM many-body potential function respectively, Figure 4 the results after relaxation for 20000 ps by the Mg-Zn MEAM many-body potential function are obtained, Figure 4 a is the crystal cell structure of Mg, Figure 4 b is the crystal cell structure of Zn. By comparing Mg and Zn​Figure 3 a With Figure 4 The relationship between the total energy and relaxation time of Mg unit cell after relaxation can be known that, although the system finally reaches equilibrium, the increase of total energy of Al-Mg-Zn MEAM many-body potential function is close to 3000 ev, while the increase of total energy of Mg-Zn MEAM many-body potential function is -24350 ev; similarly, for Zn unit cell system, the increase of total energy of Al-Mg-Zn MEAM many-body potential function is close to 1000 ev, while the increase of total energy of Mg-Zn MEAM many-body potential function is -36000 ev. It can be known that, for the process of structure of system from unstable to stable, the use of Al-Mg-Zn MEAM many-body potential function has lower change of total energy when reaching stable structure of system, and since the equilibrium is reached in a shorter time, the great change rate of total energy of system will cause violent shock of system and bring instability of structure.

[0089] The Mg and Zn unit cell structures after relaxation of 20000 ps by Al-Mg-Zn MEAM many-body potential function are as shown in Figure 5 Figure 5 a is the unit cell structure of Mg, Figure 5 b is the unit cell structure of Zn, and Figure 5 It can be directly seen that the Mg and Zn unit cell structures after relaxation of 20000 steps by Al-Mg-Zn MEAM many-body potential function can still maintain the integrity of HCP structure.

[0090] Figure 6 a is the unit cell structure of Mg, Figure 6 b is the unit cell structure of Zn, and Figure 6 It can be directly seen that, after relaxation of 20000 ps by Mg-Zn MEAM many-body potential function, although a small amount of atoms of Mg change into other crystal structures, the unit cell structure can still maintain the integrity of HCP structure. However, a large amount of other crystal structures appear in the Zn unit cell after relaxation of 20000 steps by Mg-Zn MEAM many-body potential function, and the other crystal structures account for 34.2% of the total number of atoms. It can be known that the Mg-Zn MEAM many-body potential function is not suitable for simulation of model structure containing single crystal Zn.

[0091] ​Further, for the calculation of the Young's modulus under different potential functions, the box size of the unit cell system is 3.2158 nm x 11.4433 nm x 10.9929 nm, and the Mg Young's modulus is solved by different many-body potential functions. By comparing the difference between the Young's modulus and the experimental value, the applicability of the Mg-Zn MEAM potential function and the Al-Mg-Zn MEAM potential function to the interfacial compound potential function of the Mg-based Zn film coating is judged. Among them, the system is first relaxed at room temperature for 20000 ps under the NPT ensemble, and then biaxial static strain stretching is used, and the strain stretching is 0.003, and the cyclic stretching is 50 times. The final stretching fracture model is shown in Figure 7 Figure 7 a is the Mg unit cell stretching fracture under the simulation of the Al-Mg-Zn MEAM potential function; Figure 7 b is the Mg unit cell stretching fracture under the simulation of the Mg-Zn MEAM potential function.

[0092] The relationship between the stress in the stretching direction and the time after the biaxial strain static stretching fracture of the Mg unit cell calculated by the Mg-Zn MEAM potential function and the Al-Mg-Zn MEAM potential function is shown in Figure 8 From the stress-strain curve, the change trend of the two stress curves is close to the coincidence state in the elastic stage. By calculating the elastic segment, the Young's modulus in the stretching direction is close to 50 GPa, which is close to the experimental value of 49.5 GPa of the Mg elastic modulus.

[0093] Further, the calculation of the melting point under different potential functions:

[0094] The box size of the unit cell system is 3.2158 nm x 11.4433 nm x 10.9929 nm, and the high-temperature melting process of the Mg unit cell system is calculated and simulated by the Mg-Zn MEAM potential function and the Al-Mg-Zn MEAM potential function. The melting point value of Mg under different many-body potential functions is calculated through the process. Still using the above Mg unit cell system, first relax in NPT for 50000 steps, then heat to 1500 K at room temperature 300 K, and the energy of the whole system is minimized by the cg conjugate gradient algorithm. The results of the finally heated and melted Mg unit cell calculated by different potential functions are shown in Figure 9

[0095] Further, Figure 7 ​​It can be seen that the Mg cell is 100% content of the close-packed hexagonal crystal (HCP) before being heated and melted, and after the melting point is calculated by different many-body potential functions, the structure gradually converts from the close-packed hexagonal to other amorphous structures in the process of being heated and melted. Since the potential energy and total energy in the system will be destroyed and transiently changed in the process of the crystal being heated and melted, the melting point of the crystal is determined by the relationship curve between the statistical temperature and the potential energy. The temperature-potential energy change curve of the Mg cell simulated by different many-body potential functions is shown in Figure 10 , Figure 10 a is the heating and melting under the Mg-Zn MEAM potential function simulation; Figure 10 b is the heating and melting under the Al-Mg-Zn MEAM potential function simulation.

[0096] The temperature-potential energy change Figure 10It can be seen that the Mg cell is melted under the Al-Mg-Zn MEAM potential function simulation, and the potential energy has a large transient at a temperature of 1150 K, so it is judged that the melting point of the Mg cell under the Al-Mg-Zn MEAM potential function simulation is 1150 K. Similarly, the Mg cell is melted under the Mg-Zn MEAM potential function simulation, and the potential energy has a large transient at a temperature of 900 K, so it is judged that the melting point of the Mg cell under the Mg-Zn MEAM potential function simulation is 900 K. For the calculation of the melting point of Mg, the melting point of Mg obtained by molecular dynamics calculation using the Mg-Zn MEAM potential function is closer to the real melting point of Mg than the melting point of Mg obtained by calculating the Al-Mg-Zn MEAM potential function. Since the experimental value of the melting point of Mg 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 of the melting point of Mg. Generally speaking, the theoretical value obtained by molecular dynamics calculation of the melting point is higher than the experimental value, because of the following four reasons: 1. Limitation of the potential function: Because the Mg-Al-Zn potential function used to calculate the melting point of Mg by molecular dynamics is an optimized interatomic potential function to describe the interaction between atoms, the embedded potential function leads to insufficient accuracy at high temperatures, and finally the theoretical value of the calculated melting point of Mg is higher than the actual melting point of the experimental value; 2. Finite size effect: Molecular dynamics simulation usually uses a finite size simulation box, while the material in the experiment is macroscopic scale, and the finite size effect may cause the atomic arrangement in the simulation to be more ordered, so that a higher energy is required to destroy the crystal structure, and the theoretical value calculated is shown as the melting point rising; 3. Time scale limitation: The time scale of molecular dynamics simulation is usually on the order of nanoseconds, while the melting process in the experiment may involve a longer time of thermodynamic equilibrium. Short time scale may lead to the inability to fully capture the dynamics of the melting process in the simulation; 4. Boundary conditions: The periodic boundary conditions used in MD simulation may suppress the surface effect, while the surface defects and grain boundaries in the experiment will lower the actual melting point.

[0097] Further, the calculation of the vacancy formation energy under different potential functions, specifically, the vacancy formation energy of the Zn cell system is calculated and simulated by the Mg-Zn MEAM potential function and the Al-Mg-Zn MEAM many-body potential function, and the vacancy formation energy defect will increase the overall energy of the system. The vacancy formation energy of the system represents the difference between the total energy of the cell system and the energy of the remaining atoms (N-1) of the cell system after losing one atom, and the vacancy formation energy is specifically expressed as:

[0098]

[0099] In the above formula, N is the total number of atoms in the cell system, is the vacancy formation energy, The total energy of the crystal cell system after one atom is missing, The energy of the remaining atoms (N-1) in the system crystal cell system. The expression of the vacancy formation energy is applied, and the molecular dynamics calculation of the vacancy formation energy of the Mg crystal cell system is performed by two different many-body potential functions, Mg-Zn MEAM potential function and Al-Mg-Zn MEAM potential function. Among them, the box size of the crystal cell system is 3.22613 nm × 11.1756 nm × 11.0247 nm, an atomic vacancy is formed in the middle 4 nm × 4 nm × 4 nm of the box, and the conjugate gradient algorithm is used to minimize the energy of the vacancy defect system. The results of the vacancy formation energy calculated by different potential functions are shown in Table 1 below:

[0100] Table 1. Zn crystal cell vacancy formation energy calculated by different potential functions

[0101]

[0102] Since the experimental value of the Zn vacancy formation energy is 0.50 ev, the difference between the simulated vacancy formation energy and the experimental value is shown in Table 1. As can be seen from Table 1, the Zn crystal cell vacancy formation energy calculated by the Mg-Zn MEAM potential function is too small, while the Zn crystal cell vacancy formation energy calculated by the Al-Mg-Zn MEAM potential function is larger, but the Zn vacancy formation energy calculated by 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 the simulation of the molecular dynamics system in this paper.

[0103] S400. After determining and selecting a suitable potential function suitable for the crystal cell system, further, the Lammps molecular dynamics software is applied to simulate the tensile fracture of the Mg-based Zn film molecular dynamics model 2a containing the MgZn2 interface compound; specifically, in the structure file of the Lammps tensile simulation, the fixed periodic boundary condition is adopted, the time step is 0.001 ps, the NPT ensemble relaxation is adopted before stretching, the relaxation time is 100 ps, the cg (conjugate gradient algorithm) is used for energy minimization after relaxation, and the biaxial static stretching is adopted, wherein the strain rate of the stretching is 0.5 ps -1 , the stress-strain curve is obtained after tensile fracture. The stress-strain curve obtained after the tensile fracture of the Mg-based Zn film molecular dynamics simulation containing the interface compound is obtained by Lammps, and the micro-interface fracture mechanics parameters are extracted from the stress-strain curve;

[0104] Specifically, the method comprises obtaining the interfacial compound-containing Mg-based Zn film molecular dynamics tensile model containing interfacial compounds in different directions, and the tensile fracture stress-strain curves of the interfacial compound-containing Mg-based Zn film molecular dynamics tensile model containing interfacial compounds in different directions are obtained. The tensile fracture strength and the corresponding modulus in different directions can be obtained from the tensile fracture stress-strain curves in six directions, and the modulus includes the normal elastic coefficient E / Enn, the first shear elastic modulus G1 / E ss , the second shear elastic modulus G2 / E ss , the normal strength T o , the first shear strength S1, the second shear strength S2, and the fracture energy G c .

[0105] Further, it should be noted that the modulus calculated by the above Lammps molecular dynamics is the effective modulus. Since only the plane strain application scenario is considered here, the corresponding relationship between the effective modulus and the elastic modulus is as follows:

[0106]

[0107] In the above formula, E represents the effective modulus calculated by the Lammps molecular dynamics, and v is the Poisson's ratio.

[0108] And apply the parameter attribute to the finite element analysis software Abaqus to perform interface fracture analysis and calculation;

[0109] Further, the normal elastic coefficient E / E nn may be the elastic coefficient in the x direction, the first shear elastic modulus G1 / E ss , that is, the elastic modulus in the xy direction, the second shear elastic modulus G2 / E ss , that is, the elastic modulus in the xz direction, the normal strength T o , that is, the maximum tensile strength in the x direction, the first shear strength S1, that is, the maximum tensile strength in the xy direction, and the second shear strength S2, that is, the maximum tensile strength in the xz direction.

[0110] Further, the fracture energy G c may be represented by the following formula:

[0111]

[0112] In the above formula, σ y represents the stress along the y-axis tensile direction, L y represents the edge length of the y-axis after the model is stretched, L x represents the edge length of the x-axis after the model is stretched, and L0 represents the original edge length of the model in the y-axis direction. The integral represents the product of the area S enclosed by the stress-strain curve along the y-axis tensile direction and the strain the original edge length L0.

[0113] Further, the Abaqus finite element software is used to construct the Mg-based Zn film vascular stent geometric model containing the interface compound, wherein the material parameter properties of the Mg-based Zn film vascular stent containing the interface compound are input in the material property module of Abaqus, the interface compound in Abaqus is represented by a cohesive element, and the fracture mechanics parameters of the Mg-based Zn film interface compound are calculated by the Lammps molecular dynamics in step two to perform parameter transmission on the material parameter properties of the cohesive element in Abaqus;

[0114] Specifically, the normal elastic coefficient E / Enn, the first shear elastic modulus G1 / Ess, the second shear elastic 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, and the key mechanical parameters are input in the material properties of the cohesive element in Abaqus.

[0115] Specifically, the material property module of the cohesive element in Abaqus is set, specifically including: adopting a secondary damage mode, and damage evolution of a fracture energy; the secondary damage mode includes: a normal elastic coefficient E / Enn, a first shear elastic modulus G1 / Ess, a second shear elastic modulus G2 / Ess, a normal strength To, a first shear strength S1, a second shear strength S2, and a fracture energy G. c Thus, the macro-micro interface fracture mechanics parameters 1b of the Mg-based Zn film containing the MgZn2 interface compound are obtained.

[0116] S500. The interface cracking characteristics in the expansion process of the local "V" shaped structure of the Mg-based Zn film vascular stent containing the MgZn2 interface compound are calculated by Abaqus by using the parameters.

[0117] Specifically, the interface compound, the Mg substrate, and the Zn film geometric structure components are assembled, meshed, analyzed, and loaded by Abaqus, the contact relationship is set, the loading mode is set, the micro interface fracture mechanics parameters are transmitted to the material properties of the cohesive element in Abaqus, and the expansion calculation 1c of the local "V" shaped part of the Mg-based Zn film vascular stent is constructed.

[0118] S600. The defect position and local stress concentration in the expansion process of the Mg-based Zn film vascular stent containing the MgZn2 interface compound are calculated and analyzed by Abaqus finite element software 2d, the defect position is consistent, and the stress concentration or interface cracking position is improved by laser shock peening and local topology optimization.

[0119] The embodiment of the present application takes the Mg-based Zn film blood vessel stent as an example to specifically describe the laser cladding composite layer interface fracture mechanics parameter transmission method disclosed in embodiment 1, and the method of embodiment 1 is applied in practice to achieve the purpose of solving the problems in the prior art.

[0120] Embodiment 3: Based on the same inventive concept, the embodiment of the present application also provides a laser cladding composite layer interface fracture mechanics parameter transmission system, which comprises Figure 11 , and the system comprises a compound type and crystal structure acquisition unit, an optimal kinetic potential function determination unit, a tensile fracture stress-strain data acquisition unit, a fracture mechanics parameter attribute acquisition unit and a fracture analysis calculation unit; wherein:

[0121] The compound type and crystal structure acquisition unit is configured to acquire the compound type and crystal structure at the interface of the cladding composite layer;

[0122] The optimal kinetic potential function determination unit is configured to construct a tensile molecular dynamics model according to the compound type and crystal structure at the interface, and determine the optimal kinetic potential function of the tensile molecular dynamics model;

[0123] The tensile fracture stress-strain data acquisition unit is configured to perform molecular dynamics tensile simulation on the tensile molecular dynamics model by using the optimal kinetic potential function, and obtain tensile fracture stress-strain data;

[0124] The fracture analysis calculation unit is configured to obtain the micro-interface fracture mechanics parameter attribute of the cladding composite layer containing the interface compound according to the stress-strain data;

[0125] The fracture analysis calculation unit is configured to construct a functional device or part geometric model of the cladding composite layer containing the interface compound, transmit the micro-interface fracture mechanics parameter attribute to the functional device or part geometric model, and perform interface fracture analysis calculation on the functional device or part geometric model.

[0126] The compound type and crystal structure acquisition unit, the optimal kinetic potential function determination unit, the tensile fracture stress-strain data acquisition unit, the fracture mechanics parameter attribute acquisition unit and the fracture analysis calculation unit have been described in detail in embodiments 1 and 2, and will not be described here.

[0127] Embodiment 4: Based on the same inventive concept, the embodiment of the present application also provides an electronic device. Figure 12 The structure block diagram of the electronic device provided by the embodiment of the present application is shown in FIG. 4. Figure 12As shown, the electronic device provided by the embodiment of the present application comprises one or more processors 101, a memory 102, and one or more I / O interfaces 103. The memory 102 stores one or more programs, and when the one or more programs are executed by the one or more processors, the one or more processors implement the fracture mechanics parameter transmission method in any of the above embodiments. The one or more I / O interfaces 103 are connected between the processor and the memory and are configured to realize information interaction between the processor and the memory.

[0128] The processor 101 is a device with data processing capability, including but not limited to a central processing unit (CPU) and the like; the memory 102 is a device with data storage capability, including but not limited to a random access memory (RAM, more specifically SDRAM, DDR, etc.), a read-only memory (ROM), an electrically erasable programmable read-only memory (EEPROM), and a flash memory (FLASH); and 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) and the like.

[0129] In some embodiments, the processor 101, the memory 102, and the I / O interface 103 are connected to each other through a bus 104 and further connected to other components of the computing device.

[0130] In some embodiments, the one or more processors 101 include a field programmable gate array.

[0131] The embodiment of the present application further provides a computer readable medium. The computer readable medium stores a computer program, and when the program is executed by a processor, the steps in the fracture mechanics parameter transmission method in any of the above embodiments are implemented. The computer readable storage medium can be a volatile or non-volatile computer readable storage medium.

[0132] The embodiment of the present application further provides a computer program product comprising computer readable code or a non-volatile computer readable storage medium carrying computer readable code, and when the computer readable code is run in a processor of an electronic device, the processor in the electronic device executes the fracture mechanics parameter transmission method.

[0133] Those skilled in the art can understand that all or some of the steps in the methods disclosed above and the functional modules / units in the systems and devices can be implemented by software, firmware, hardware, or a combination thereof. In hardware implementation, the division between the functional modules / units referred to in the above description does not necessarily correspond to the division of physical components; for example, one physical component can have multiple functions, or one function or step can be performed by several physical components in cooperation. Some or all of the physical components can be implemented as software executed by a processor, such as a central processing unit, a digital signal processor, or a microprocessor, or as hardware, or as an integrated circuit, such as an application-specific integrated circuit. Such software can be distributed on computer-readable storage media, which can include computer storage media (or non-transitory media) and communication media (or transitory media).

[0134] As is well known to those skilled in the art, the term computer storage media includes volatile and non-volatile, removable and non-removable media implemented in any method or technology for storage of information such as computer readable program instructions, data structures, program modules or other data. Computer storage media include, but are 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 technology, portable compact disc read only memory (CD-ROM), digital versatile disks (DVD) or other optical disk storage, magnetic cassettes, magnetic tape, magnetic disk storage or other magnetic storage devices, or any other medium that can be used to store the desired information and that can be accessed by a computer. Further, it is well known to those skilled in the art that communication media typically embodies computer readable program instructions, data structures, program modules or other data in a modulated data signal such as a carrier wave or other transport mechanism and includes any information delivery media. As a result, the desired information can be downloaded to a computer or external storage device via computer readable storage media or communication media from a network, such as the Internet, a local area network, a wide area network, and / or a wireless network.

[0135] Computer readable program instructions described herein can be downloaded to respective computing / processing devices from a computer readable storage medium or to an external computer or external storage device from a network, for example, the Internet, a local area network, a wide area network and / or a wireless network. The network can comprise copper transmission cables, optical transmission fibers, wireless transmission, routers, firewalls, switches, gateway computers and / or edge servers. A network adapter card or network interface in each computing / processing device receives computer readable program instructions from the network and forwards the computer readable program instructions for storage in a computer readable storage medium within the respective computing / processing device.

[0136] Computer readable program instructions for carrying out operations of the present application can be assembler instructions, instruction-set-architecture (ISA) instructions, machine instructions, machine dependent instructions, microcode, firmware instructions, state-setting data, or either source code or object code written in any combination of one or more programming languages, including an object oriented programming language such as Smalltalk, C++ or the like, and conventional procedural programming languages, such as the "C" programming language or similar programming languages. The computer readable program instructions can execute entirely on the user's computer, partly on the user's computer, as a stand-alone software package, partly on the user's computer and partly on a remote computer or entirely on the remote computer or server. In the latter scenario, the remote computer can be connected to the user's computer through any type of network, including a local area network (LAN) or a wide area network (WAN), or the connection can be made to an external computer (for example, through the Internet using an Internet Service Provider). In some embodiments, electronic circuitry including, for example, programmable logic circuitry, field-programmable gate array (FPGA), or programmable logic array (PLA) can execute the computer readable program instructions by utilizing state information of the computer readable program instructions to personalize the electronic circuitry, in order to perform aspects of the present application.

[0137] The computer program product described herein can be embodied in a specific manner by hardware, software, or a combination thereof. In an optional embodiment, the computer program product is embodied as a computer storage medium. In another optional embodiment, the computer program product is embodied as a software product, such as a software development kit (SDK), and the like.

[0138] The computer program product described herein can be embodied in a specific manner by hardware, software, or a combination thereof. In an optional embodiment, the computer program product is embodied as a computer storage medium. In another optional embodiment, the computer program product is embodied as a software product, such as a software development kit (SDK), and the like.

[0139] These computer readable program instructions can be provided to a processor of a general purpose computer, special purpose computer, or other programmable data processing apparatus to produce a machine, such that the instructions, which execute via the processor of the computer or other programmable data processing apparatus, create means for implementing the functions / acts specified in the flowchart and / or block diagram block or blocks. These computer readable program instructions can also be stored in a computer readable storage medium that can include a non-transitory computer readable storage medium that can be a computer- readable storage medium having no data storage viruses or other code or instructions implementing a functionally equivalent to that of the software manual reproduction process. The instructions might also be loaded onto a computer or other programmable data processing apparatus to cause a series of operational steps to be performed on the computer or other programmable apparatus to produce a computer implemented process such that the instructions which execute on the computer or other programmable apparatus provide processes for implementing the functions / acts specified in the flowchart and / or block diagram block or blocks.

[0140] The computer readable program instructions can 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 apparatus or other device to produce a computer implemented process such that the instructions which execute on the computer or other programmable apparatus implement the functions / acts specified in the flowchart and / or block diagram block or blocks.

[0141] The flow diagrams and block diagrams in the drawings are presented to illustrate the architecture, functionality, and operation of possible implementations of systems, methods and computer program products according to the present application. In this regard, each block in the flow diagrams and block diagrams can represent a module, segment, or portion of code, which comprises one or more executable instructions for implementing the specified logical functions ("instructions"). In some alternative implementations, the functions noted in the blocks can occur out of the order noted in the figures. For example, two blocks shown in succession may, in fact, be executed substantially concurrently, or the blocks can sometimes be executed in the reverse order, depending upon the functionality involved. It will also be noted that each block of the block diagrams and / or flowchart illustrations, and combinations thereof, can be implemented by special purpose hardware-based systems that perform the specified functions or acts, or combinations of special purpose hardware and

[0142] Example embodiments have been disclosed and, although specific terms are employed, they are used in a generic and descriptive sense only and not for purposes of limitation. In some instances, it will be apparent to those skilled in the art that features, characteristics or elements described with respect to a particular embodiment can be used, alone or in combination, with other embodiments unless specifically recited otherwise in the detailed description. Accordingly, various modifications can be made to the embodiments described herein without departing from the scope of the application as set forth in the appended claims.

Claims

1. A method for transmitting interface fracture mechanics parameters of a laser cladding composite layer, characterized in that, The method comprises the following steps: acquiring the interfacial compound type and crystal structure of the cladded composite layer; constructing a tensile molecular dynamics model according to the interfacial compound type and crystal structure, and determining the optimal kinetic potential function of the tensile molecular dynamics model; performing molecular dynamics tensile simulation on the tensile molecular dynamics model by using the optimal kinetic potential function, and obtaining stress-strain data of tensile fracture; obtaining the micro-interface fracture mechanics parameter properties of the cladded composite layer containing the interfacial compound according to the stress-strain data; obtaining the micro-interface fracture mechanics parameter properties of the cladded composite layer containing the interfacial compound according to the stress-strain data, and the specific method comprises the following steps: performing tensile simulation in six directions on the kinetic tensile model containing the interfacial compound, and obtaining stress-strain curves of tensile fracture in the six directions; and obtaining the interface fracture mechanics parameter properties from the stress-strain curves of tensile fracture in the six directions; The interface fracture mechanics parameter attributes represent tensile fracture strengths in different directions and corresponding moduli, and specifically include a normal elastic coefficient E / Enn, a first shear elastic modulus G1 / E ss , a second shear elastic modulus G2 / E ss , a normal strength T o , a first shear strength S1, a second shear strength S2, and a fracture energy G c ; wherein the normal elastic coefficient E / E nn represents an elastic coefficient in the x direction, the first shear elastic modulus G1 / E ss represents an elastic modulus in the xy direction, the second shear elastic modulus G2 / E ss represents an elastic modulus in the xz direction, the normal strength T o represents a maximum tensile strength in the x direction, the first shear strength S1 represents a maximum tensile strength in the xy direction, and the second shear strength S2 represents a maximum tensile strength in the xz direction. constructing a functional device or part geometric model of the cladded composite layer containing the interfacial compound, transferring the micro-interface fracture mechanics parameter properties to the functional device or part geometric model, and performing interface fracture analysis and calculation on the functional device or part geometric model.

2. The fracture mechanics parameter transfer method of claim 1, wherein, The specific method for determining the optimal kinetic potential function of the tensile molecular dynamics model comprises the following steps: performing dynamic calculation verification on the single-atom crystal structure of the cladded composite layer containing the interfacial compound by using the crystal structure conversion molecule, performing molecular dynamics calculation verification on the Young's modulus, performing calculation verification at the melting point, and performing calculation verification at the vacancy formation energy, and determining the optimal kinetic potential function of the tensile molecular dynamics model.

3. The fracture mechanics parameter transfer method of claim 1, wherein, The specific steps of performing molecular dynamics tensile simulation on the tensile molecular dynamics model by using the optimal kinetic potential function comprise the following steps: initialization instruction, setting basic parameters of the tensile simulation, wherein the basic parameters at least include time, step, temperature and pressure; defining basic information of atoms, at least including the type of atoms, the position of atoms and the speed of atoms; introducing the optimal kinetic potential function, which is used to optimally represent the interaction between atoms; setting the system box and the boundary condition, at least including the definition of the unit cell, the box parameters, the type of the boundary condition and the setting of the basic parameters of the simulation; defining the control instruction, which is used to define the execution flow of the simulation, at least including the calculation period and the output frequency.

4. The fracture mechanics parameter transfer method of claim 1, wherein The fracture energy G c The calculation formula is: ； where σ y represents the stress along the y-axis stretching direction, L y represents the side length of the y-axis after the model is stretched, L x represents the side length of the x-axis after the model is stretched, L0represents the original side length of the y-axis of the model; The integral represents the product of the area S enclosed by the stress-strain curve along the y-axis stretching direction and the strain ε*the original side length L0.

5. The fracture mechanics parameter transfer method of claim 1, wherein The functional device or part geometric model of the cladded composite layer containing the interfacial compound is constructed by using the Abaqus finite element software, wherein the material parameter properties of the cladded layer and the thin film cladded layer are input in the material property module of Abaqus, the interfacial compound is represented by the cohesive element in Abaqus, the material parameters of the cohesive element in Abaqus are used to perform parameter transmission by using the fracture mechanics parameter properties, and the functional device or part geometric model containing the interfacial compound is analyzed and simulated under different working conditions.

6. The fracture mechanics parameter transfer method of claim 5, wherein The method further comprises the following steps: When the functional device or part containing the interface compound is loaded and analyzed under different working conditions, the macroscopic structural defects of the interface fracture of the functional device or part can be predicted, the process parameters and geometric structure design are optimized, and the specific steps include: analyzing the evolution mechanism of the interface cracking by Abaqus finite element macroscopic analysis, predicting the macroscopic structural defects of the interface fracture of the functional device or part according to the evolution mechanism, and improving the process parameters or strengthening through related technical means according to the macroscopic structural defects of the interface.

7. A laser cladding composite layer interface fracture mechanics parameter transfer system based on the fracture mechanics parameter transfer method of any one of claims 1-6, characterized in that, Comprise: The compound type and crystal structure acquisition unit, the optimal kinetic potential function determination unit, the stress-strain data acquisition unit of tensile fracture, the fracture mechanics parameter attribute acquisition unit and the 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 tensile molecular dynamics model according to the interface compound type and crystal structure, and determine the optimal kinetic potential function of the tensile molecular dynamics model; The stress-strain data acquisition unit of tensile fracture is used to perform molecular dynamics tensile simulation on the tensile molecular dynamics model through the optimal kinetic potential function, and obtain the stress-strain data of tensile fracture; The fracture analysis calculation unit is used to obtain the micro-interface fracture mechanics parameter attribute of the cladding composite layer containing the interface compound according to the stress-strain data; The fracture analysis calculation unit is used to construct a functional device or part geometric model of the cladding composite layer containing the interface compound, transfer the micro-interface fracture mechanics parameter attribute to the functional device or part geometric model, and perform interface fracture analysis calculation on the functional device or part geometric model. 8.An electronic device, comprising: one or more processors; memory for storing one or more programs; when the one or more programs are executed by the one or more processors, the one or more processors implement the fracture mechanics parameter transfer method of any one of claims 1-6.

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