A method for predicting the bonding performance of aluminum / aluminum-based brazing filler metal / high nitrogen steel interface

Abstract

The present application provides a method for predicting the bonding performance of an aluminum / aluminum-based solder / high-nitrogen steel interface, the method comprising: constructing multiple crystal structure models based on an aluminum unit cell crystal model and an iron unit cell crystal model, determining a slicing method corresponding to each crystal structure model, and slicing the corresponding crystal structure model based on different slicing methods to obtain multiple sliced ​​crystal structure models; constructing an aluminum-first aluminum-based solder-high-nitrogen steel interface composite model based on a target aluminum unit cell crystal plane, a target aluminum-based solder crystal plane, and a target high-nitrogen steel crystal plane; adjusting the aluminum-first aluminum-based solder-high-nitrogen steel interface composite model based on multiple second aluminum-based solder components to obtain an aluminum-second aluminum-based solder-high-nitrogen steel interface composite model; evaluating the bonding performance of the two interface composite models to obtain a bonding performance evaluation result, and determining the first aluminum-based solder or the second aluminum-based solder whose bonding performance evaluation result meets preset screening conditions as the target aluminum-based solder.

Description

Technical Field

[0001] The present application relates to the technical field of dissimilar material connection, and in particular to a method for predicting the bonding performance of an aluminum / aluminum-based brazing filler metal / high nitrogen steel interface. Background Art

[0002] With the development trend of lightweight, high-performance, and low-cost transportation equipment such as aerospace and automobiles, the application of high-nitrogen steel and aluminum composite structures is becoming increasingly widespread. High-nitrogen steel-aluminum composite structures fully utilize the lightweight characteristics of aluminum alloys and the strength and cost advantages of high-nitrogen steel, further achieving structural lightweighting and compensating for the functional and performance deficiencies of high-nitrogen steel and aluminum alloy alone, bringing out the performance advantages of each metal. Therefore, aluminum / high-nitrogen steel brazing has important application value. However, due to the significant differences in physical and chemical properties such as melting point and density between aluminum and high-nitrogen steel, joining the two is very difficult.

[0003] At present, aluminum / high nitrogen steel brazed joints are mainly prepared by optimizing the brazing process and parameters and studying the physical properties and microstructure evolution of the finished aluminum / high nitrogen steel brazed joints based on traditional characterization and analysis methods.

[0004] However, the joint quality of the aluminum / high nitrogen steel brazing joints prepared by the current method is unstable, and it is difficult to predict the bonding performance of the aluminum / high nitrogen steel brazing joints to improve the quality of the aluminum / high nitrogen steel brazing joints, resulting in general preparation and research and development efficiency of the aluminum / high nitrogen steel brazing joints. Summary of the Invention

[0005] In view of this, the purpose of the present application is to provide a method for predicting the bonding performance of the aluminum / aluminum-based solder / high nitrogen steel interface, by dividing the aluminum crystal structure model, the aluminum-based solder crystal structure model and the high nitrogen steel crystal structure model to establish an aluminum / first aluminum-based solder / high nitrogen steel interface composite model, and by evaluating the bonding performance of the aluminum / second aluminum-based solder / high nitrogen steel interface composite model obtained by adjusting multiple second aluminum-based solder components, the influence of different components of aluminum-based solder on the interface bonding performance can be predicted, and the aluminum-based solder with the best bonding performance can be obtained, thereby realizing the prediction of the bonding performance of the aluminum / high nitrogen steel brazing joint, thereby improving the quality of the aluminum / high nitrogen steel brazing joint, improving the stability of the joint quality of the aluminum / high nitrogen steel brazing joint, and further improving the preparation and research and development efficiency of the aluminum / high nitrogen steel brazing joint.

[0006] In a first aspect, an embodiment of the present application provides a method for predicting the bonding performance of an aluminum / aluminum-based brazing filler metal / high nitrogen steel interface, the method comprising:

[0007] Obtaining an aluminum unit cell crystal model and an iron unit cell crystal model, and constructing multiple crystal structure models based on the aluminum unit cell crystal model and the iron unit cell crystal model; wherein the multiple crystal structure models include an aluminum crystal structure model, an aluminum-based solder crystal structure model corresponding to the first aluminum-based solder, and a high-nitrogen steel crystal structure model;

[0008] Determining a slicing method corresponding to each crystal structure model, and slicing the corresponding crystal structure model based on the different slicing methods to obtain a plurality of sliced ​​crystal structure models; wherein the sliced ​​aluminum unit cell crystal structure model includes a plurality of aluminum unit cell crystal planes; the sliced ​​aluminum-based solder crystal structure model includes a plurality of aluminum-based solder crystal planes; and the sliced ​​high-nitrogen steel crystal structure model includes a plurality of high-nitrogen steel crystal planes;

[0009] Based on a target aluminum unit cell crystal plane that meets the crystal plane screening conditions among multiple aluminum unit cell crystal planes, a target aluminum-based solder crystal plane that meets the crystal plane screening conditions among multiple aluminum-based solder crystal planes, and a target high-nitrogen steel crystal plane that meets the crystal plane screening conditions among multiple high-nitrogen steel crystal planes, a composite model of the aluminum-first aluminum-based solder-high-nitrogen steel interface is constructed;

[0010] Adjusting the aluminum-first aluminum-based solder-high nitrogen steel interface composite model based on multiple second aluminum-based solder components to obtain corresponding aluminum-second aluminum-based solder-high nitrogen steel interface composite models of multiple second aluminum-based solder components;

[0011] The bonding performance of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model are evaluated to obtain bonding performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model, so as to obtain the first aluminum-based solder or the second aluminum-based solder whose bonding performance evaluation results meet the preset screening conditions as the target aluminum-based solder.

[0012] In a possible implementation, the constructing of multiple crystal structure models based on the aluminum unit cell crystal model and the iron unit cell crystal model includes:

[0013] Constructing an aluminum crystal structure model based on the aluminum unit cell crystal model;

[0014] Constructing a high nitrogen steel crystal structure model based on the iron unit cell crystal;

[0015] Based on the Al atoms, Si atoms and Cu atoms included in the first aluminum-based solder, an aluminum-based solder crystal structure model corresponding to the first aluminum-based solder is constructed.

[0016] In one possible embodiment, each crystal plane includes multiple atomic layers; and constructing an aluminum-first aluminum-based solder-high nitrogen steel interface composite model based on a target aluminum unit cell crystal plane that meets the crystal plane screening conditions among the multiple aluminum unit cell crystal planes, a target aluminum-based solder crystal plane that meets the crystal plane screening conditions among the multiple aluminum-based solder crystal planes, and a target high nitrogen steel crystal plane that meets the crystal plane screening conditions among the multiple high nitrogen steel crystal planes includes:

[0017] Conducting convergence tests on the atomic layers in the plurality of aluminum unit cell crystal planes, the plurality of aluminum-based solder crystal planes, and the plurality of high nitrogen steel crystal planes, respectively, to obtain convergence test results corresponding to each crystal plane;

[0018] According to the convergence test results corresponding to each crystal plane, a target aluminum unit cell crystal plane that meets the convergence requirements among the multiple aluminum unit cell crystal planes, a target aluminum-based solder crystal plane that meets the convergence requirements among the multiple aluminum-based solder crystal planes, and a target high-nitrogen steel crystal plane that meets the convergence requirements among the multiple high-nitrogen steel crystal planes are screened out respectively;

[0019] The aluminum-first aluminum-based solder-high nitrogen steel interface composite model is constructed based on the target aluminum unit cell crystal plane, the target aluminum-based solder crystal plane, and the target high nitrogen steel crystal plane.

[0020] In one possible embodiment, the aluminum-first aluminum-based solder-high nitrogen steel interface is adjusted based on multiple second aluminum-based solder components to obtain corresponding aluminum-second aluminum-based solder-high nitrogen steel interface composite models of multiple second aluminum-based solders, including:

[0021] Replacing Cu atoms and Al atoms of the first aluminum-based solder in the aluminum-first aluminum-based solder-high nitrogen steel interface composite model with Si atoms based on at least one component of the second aluminum-based solder, so as to obtain the replaced second aluminum-based solder and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model corresponding to the second aluminum-based solder; wherein the second aluminum-based solder includes Al atoms and Si atoms;

[0022] and / or,

[0023] Based on at least one component of the second aluminum-based solder, Cu atoms are used to replace the Si atoms and Al atoms of the first aluminum-based solder in the aluminum-first aluminum-based solder-high nitrogen steel interface composite model to obtain the replaced second aluminum-based solder and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model corresponding to the second aluminum-based solder; wherein the second aluminum-based solder includes Al atoms and Cu atoms.

[0024] In a possible embodiment, after constructing multiple crystal structure models based on the aluminum unit cell crystal model and the iron unit cell crystal model, the method for predicting the bonding performance of the aluminum / aluminum-based solder / high nitrogen steel interface further includes:

[0025] Determining corresponding first optimization parameters based on the aluminum, the aluminum-based brazing filler metal, and the high-nitrogen steel; wherein the first optimization parameters include a k-space grid, a self-consistent convergence error, a plane wave energy accuracy, and a plane wave cutoff energy; the k-space grid is 4×4×1, the self-consistent convergence error is 1×10 6 eV / atom, the plane wave energy accuracy is 2×10 5 eV / atom, and the plane wave cutoff energy is 381 eV;

[0026] The aluminum crystal structure model, the aluminum-based solder crystal structure model and the high nitrogen steel crystal structure model are structurally optimized based on the first optimization parameter to obtain the structurally optimized aluminum crystal structure model, the aluminum-based solder crystal structure model and the high nitrogen steel crystal structure model.

[0027] In a possible embodiment, after constructing the aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model, the method for predicting the bonding performance of the aluminum / aluminum-based brazing filler metal / high nitrogen steel interface further includes:

[0028] The corresponding second optimization parameters are obtained based on the aluminum, the aluminum-based solder and the high nitrogen steel; wherein the second optimization parameters include the convergence criteria of the k-space grid, the plane wave cutoff energy, the plane wave energy accuracy, the internal stress, the maximum displacement and the system energy; the k-space grid is 3×3×1, the plane wave cutoff energy Ecut is 326.5eV, the plane wave energy accuracy is 2×105eV / atom, the internal stress is less than 0.1GPa, and the maximum displacement is less than The convergence criterion of the system energy is 2×10-6eV / atom;

[0029] The aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model is structurally optimized based on the second optimization parameter to obtain the aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model after structural optimization.

[0030] In one possible embodiment, the bonding performance of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model is evaluated to obtain a bonding performance evaluation result of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model; including:

[0031] The first interface adhesion work of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the second interface adhesion work of the aluminum-second aluminum-based solder-high nitrogen steel interface composite model are calculated based on a preset interface adhesion work calculation formula; wherein the first interface adhesion work and the second interface adhesion work are both calculated using the following calculation formulas:

[0032] Wad =(E A +E B +E C -E A / B / C ) / 2A

[0033] Among them, W ad is the interfacial adhesion work; E A 、E B 、E C are the total energy of the crystal structure model of the metal aluminum surface, aluminum-based solder, and high nitrogen steel surface; E A / B / C is the energy of the interface composite model; A is the cross-sectional area of ​​the interface composite model;

[0034] The first interface adhesion work and each of the second interface adhesion works are compared to obtain the combined performance evaluation results of the aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model and the aluminum-second aluminum-based brazing filler metal-high nitrogen steel interface composite model.

[0035] In one possible embodiment, the evaluating the bonding performance of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model to obtain the bonding performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model further includes:

[0036] Obtaining a first local electron function diagram, a first Mulliken layout analysis table, and a first differential charge density diagram of different atoms under the same functional conditions for the aluminum-first aluminum-based solder-high nitrogen steel interface composite model, as well as a second local electron function diagram, a second Mulliken layout analysis table, and a second differential charge density diagram of different atoms under the same functional conditions for the aluminum-second aluminum-based solder-high nitrogen steel interface composite model;

[0037] Based on the first local electron function diagram, the first Mulliken layout analysis table, the first differential charge density diagram, and the second local electron function diagram, the second Mulliken layout analysis table, and the second differential charge density diagram, the combined performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model are obtained.

[0038] In a second aspect, the present application also provides a device for predicting the bonding performance of an aluminum / aluminum-based brazing filler metal / high nitrogen steel interface, the device comprising:

[0039] A first construction module is used to obtain an aluminum unit cell crystal model and an iron unit cell crystal model, and construct multiple crystal structure models based on the aluminum unit cell crystal model and the iron unit cell crystal model; wherein the multiple crystal structure models include an aluminum crystal structure model, an aluminum-based solder crystal structure model corresponding to the first aluminum-based solder, and a high-nitrogen steel crystal structure model;

[0040] a slicing module, for determining a slicing method corresponding to each crystal structure model, and slicing the corresponding crystal structure model based on the different slicing methods to obtain a plurality of sliced ​​crystal structure models; wherein the sliced ​​aluminum unit cell crystal structure model includes a plurality of aluminum unit cell crystal planes; the sliced ​​aluminum-based solder crystal structure model includes a plurality of aluminum-based solder crystal planes; and the sliced ​​high-nitrogen steel crystal structure model includes a plurality of high-nitrogen steel crystal planes;

[0041] The second construction module is used to construct an aluminum-first aluminum-based solder-high nitrogen steel interface composite model based on a target aluminum unit cell crystal plane that meets the crystal plane screening conditions among the multiple aluminum unit cell crystal planes, a target aluminum-based solder crystal plane that meets the crystal plane screening conditions among the multiple aluminum-based solder crystal planes, and a target high nitrogen steel crystal plane that meets the crystal plane screening conditions among the multiple high nitrogen steel crystal planes;

[0042] an adjustment module, configured to adjust the aluminum-first aluminum-based solder-high nitrogen steel interface composite model based on a plurality of second aluminum-based solder components to obtain corresponding aluminum-second aluminum-based solder-high nitrogen steel interface composite models of a plurality of second aluminum-based solder components;

[0043] An evaluation module is used to evaluate the bonding performance of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model, and obtain the bonding performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model, so as to obtain the first aluminum-based solder or the second aluminum-based solder whose bonding performance evaluation results meet the preset screening conditions as the target aluminum-based solder.

[0044] In a possible implementation manner, the first building block is specifically configured to:

[0045] Constructing an aluminum crystal structure model based on the aluminum unit cell crystal model;

[0046] Constructing a high nitrogen steel crystal structure model based on the iron unit cell crystal;

[0047] Based on the Al atoms, Si atoms and Cu atoms included in the first aluminum-based solder, an aluminum-based solder crystal structure model corresponding to the first aluminum-based solder is constructed.

[0048] In a possible implementation manner, each crystal plane includes multiple atomic layers; and the second building block is specifically configured to:

[0049] Conducting convergence tests on the atomic layers in the plurality of aluminum unit cell crystal planes, the plurality of aluminum-based solder crystal planes, and the plurality of high nitrogen steel crystal planes, respectively, to obtain convergence test results corresponding to each crystal plane;

[0050] According to the convergence test results corresponding to each crystal plane, a target aluminum unit cell crystal plane that meets the convergence requirements among the multiple aluminum unit cell crystal planes, a target aluminum-based solder crystal plane that meets the convergence requirements among the multiple aluminum-based solder crystal planes, and a target high-nitrogen steel crystal plane that meets the convergence requirements among the multiple high-nitrogen steel crystal planes are screened out respectively;

[0051] The aluminum-first aluminum-based solder-high nitrogen steel interface composite model is constructed based on the target aluminum unit cell crystal plane, the target aluminum-based solder crystal plane, and the target high nitrogen steel crystal plane.

[0052] In a possible implementation, the adjustment module is specifically configured to:

[0053] Replacing Cu atoms and Al atoms of the first aluminum-based solder in the aluminum-first aluminum-based solder-high nitrogen steel interface composite model with Si atoms based on at least one component of the second aluminum-based solder, so as to obtain the replaced second aluminum-based solder and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model corresponding to the second aluminum-based solder; wherein the second aluminum-based solder includes Al atoms and Si atoms;

[0054] and / or,

[0055] Based on at least one component of the second aluminum-based solder, Cu atoms are used to replace the Si atoms and Al atoms of the first aluminum-based solder in the aluminum-first aluminum-based solder-high nitrogen steel interface composite model to obtain the replaced second aluminum-based solder and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model corresponding to the second aluminum-based solder; wherein the second aluminum-based solder includes Al atoms and Cu atoms.

[0056] In one possible embodiment, the device for predicting the bonding performance of the aluminum / aluminum-based solder / high nitrogen steel interface further includes:

[0057] a first determination module, configured to determine corresponding first optimization parameters based on the aluminum, the aluminum-based solder, and the high-nitrogen steel after constructing multiple crystal structure models based on the aluminum unit cell crystal model and the iron unit cell crystal model; wherein the first optimization parameters include a k-space grid, a self-consistent convergence error, a plane wave energy accuracy, and a plane wave cutoff energy; the k-space grid is 4×4×1, the self-consistent convergence error is 1×10 6 eV / atom, the plane wave energy accuracy is 2×10 5 eV / atom, and the plane wave cutoff energy is 381 eV;

[0058] The first optimization module is used to structurally optimize the aluminum crystal structure model, the aluminum-based solder crystal structure model, and the high-nitrogen steel crystal structure model based on the first optimization parameters to obtain the aluminum crystal structure model, the aluminum-based solder crystal structure model, and the high-nitrogen steel crystal structure model after structural optimization.

[0059] In one possible embodiment, the device for predicting the bonding performance of the aluminum / aluminum-based solder / high nitrogen steel interface further includes:

[0060] The second determination module is used to obtain corresponding second optimization parameters based on the aluminum, the aluminum-based solder and the high nitrogen steel after constructing the aluminum-first aluminum-based solder-high nitrogen steel interface composite model; wherein the second optimization parameters include the k-space grid, the plane wave cutoff energy, the plane wave energy accuracy, the internal stress, the maximum displacement and the convergence standard of the system energy; the k-space grid is 3×3×1, the plane wave cutoff energy Ecut is 326.5eV, the plane wave energy accuracy is 2×10 5eV / atom, the internal stress is less than 0.1GPa, and the maximum displacement is less than The convergence criterion of the system energy is 2×10-6eV / atom;

[0061] The second optimization module is used to perform structural optimization on the aluminum-first aluminum-based solder-high nitrogen steel interface composite model based on the second optimization parameters to obtain the aluminum-first aluminum-based solder-high nitrogen steel interface composite model after structural optimization.

[0062] In a possible implementation, the assessment module is specifically configured to:

[0063] The first interface adhesion work of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the second interface adhesion work of the aluminum-second aluminum-based solder-high nitrogen steel interface composite model are calculated based on a preset interface adhesion work calculation formula; wherein the first interface adhesion work and the second interface adhesion work are both calculated using the following calculation formulas:

[0064] W ad =(E A +E B +E C -E A / B / C ) / 2A

[0065] Among them, W ad is the interfacial adhesion work; E A 、E B 、E C are the total energy of the crystal structure model of the metal aluminum surface, aluminum-based solder, and high nitrogen steel surface; E A / B / C is the energy of the interface composite model; A is the cross-sectional area of ​​the interface composite model;

[0066] The first interface adhesion work and each of the second interface adhesion works are compared to obtain the combined performance evaluation results of the aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model and the aluminum-second aluminum-based brazing filler metal-high nitrogen steel interface composite model.

[0067] In a possible implementation, the assessment module is specifically configured to:

[0068] Obtaining a first local electron function diagram, a first Mulliken layout analysis table, and a first differential charge density diagram of different atoms under the same functional conditions for the aluminum-first aluminum-based solder-high nitrogen steel interface composite model, as well as a second local electron function diagram, a second Mulliken layout analysis table, and a second differential charge density diagram of different atoms under the same functional conditions for the aluminum-second aluminum-based solder-high nitrogen steel interface composite model;

[0069] Based on the first local electron function diagram, the first Mulliken layout analysis table, the first differential charge density diagram, and the second local electron function diagram, the second Mulliken layout analysis table, and the second differential charge density diagram, the combined performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model are obtained.

[0070] In a third aspect, an embodiment of the present application provides an electronic device comprising: a processor, a storage medium and a bus, wherein the storage medium stores machine-readable instructions executable by the processor. When the electronic device is running, the processor and the storage medium communicate via the bus, and the processor executes the machine-readable instructions to perform the steps of the method for predicting the bonding performance of the aluminum / aluminum-based brazing material / high nitrogen steel interface as described in any one of the first aspects.

[0071] The embodiment of the present application provides a method for predicting the bonding performance of an aluminum / aluminum-based solder / high nitrogen steel interface, obtains an aluminum unit cell crystal model and an iron unit cell crystal model, and constructs a plurality of crystal structure models based on the aluminum unit cell crystal model and the iron unit cell crystal model, wherein the plurality of crystal structure models include an aluminum crystal structure model, an aluminum-based solder crystal structure model corresponding to a first aluminum-based solder, and a high nitrogen steel crystal structure model, determines a cutting method corresponding to each crystal structure model, and cuts the corresponding crystal structure model based on different cutting methods to obtain a plurality of crystal structure models after cutting, wherein the aluminum unit cell crystal structure model after cutting includes a plurality of aluminum unit cell crystal planes, the aluminum-based solder crystal structure model after cutting includes a plurality of aluminum-based solder crystal planes, the high nitrogen steel crystal structure model after cutting includes a plurality of high nitrogen steel crystal planes, and based on the target of the plurality of aluminum unit cell crystal planes that meet the crystal plane screening conditions, A target aluminum unit cell crystal plane, a target aluminum-based solder crystal plane that meets the crystal plane screening conditions among multiple aluminum-based solder crystal planes, and a target high-nitrogen steel crystal plane that meets the crystal plane screening conditions among multiple high-nitrogen steel crystal planes are used to construct an aluminum-first aluminum-based solder-high nitrogen steel interface composite model, and the aluminum-first aluminum-based solder-high nitrogen steel interface composite model is adjusted based on multiple second aluminum-based solder components to obtain corresponding aluminum-second aluminum-based solder-high nitrogen steel interface composite models of multiple second aluminum-based solders. The bonding performance of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model is evaluated to obtain bonding performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model, so as to obtain the first aluminum-based solder or the second aluminum-based solder whose bonding performance evaluation results meet the preset screening conditions as the target aluminum-based solder. In this application, an aluminum / first aluminum-based brazing filler metal / high nitrogen steel interface composite model is established by dividing the aluminum crystal structure model, the aluminum-based brazing filler metal crystal structure model and the high nitrogen steel crystal structure model, and the bonding performance is evaluated by the aluminum / second aluminum-based brazing filler metal / high nitrogen steel interface composite model obtained by adjusting multiple second aluminum-based brazing filler metal components. This can predict the influence of aluminum-based brazing fillers of different components on the interface bonding performance, obtain the aluminum-based brazing filler metal with the best bonding performance, realize the prediction of the bonding performance of the aluminum / high nitrogen steel brazing joint, thereby improving the quality of the aluminum / high nitrogen steel brazing joint, improving the stability of the joint quality of the aluminum / high nitrogen steel brazing joint, and further improving the preparation and research and development efficiency of the aluminum / high nitrogen steel brazing joint.

[0072] In order to make the above-mentioned objects, features and advantages of the present application more obvious and easy to understand, preferred embodiments are given below and described in detail with reference to the accompanying drawings. BRIEF DESCRIPTION OF THE DRAWINGS

[0073] In order to more clearly illustrate the technical solutions of the embodiments of the present application, the following is a brief introduction to the drawings required for use in the embodiments. It should be understood that the following drawings only show certain embodiments of the present application and therefore should not be regarded as limiting the scope. For ordinary technicians in this field, other relevant drawings can be obtained based on these drawings without creative work.

[0074] Figure 1 This is a flow chart of a method for predicting the bonding performance of an aluminum / aluminum-based solder / high nitrogen steel interface provided in an embodiment of the present application;

[0075] Figure 2 It is a schematic diagram of the aluminum crystal structure model, the aluminum-based solder crystal structure model and the high nitrogen steel crystal structure model;

[0076] Figure 3 It is a schematic diagram of the aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model;

[0077] Figure 4 It is a schematic diagram of the aluminum-second aluminum-based brazing filler metal-high nitrogen steel interface composite model;

[0078] Figure 5 This is a flow chart of a method for predicting bonding performance of an aluminum / aluminum-based solder / high nitrogen steel interface according to another embodiment of the present application;

[0079] Figure 6 This is a flow chart of a method for predicting bonding performance of an aluminum / aluminum-based solder / high nitrogen steel interface according to another embodiment of the present application;

[0080] Figure 7 This is a flow chart of a method for predicting bonding performance of an aluminum / aluminum-based solder / high nitrogen steel interface according to another embodiment of the present application;

[0081] Figure 8 This is a flow chart of a method for predicting bonding performance of an aluminum / aluminum-based solder / high nitrogen steel interface according to another embodiment of the present application;

[0082] Figure 9 This is a flow chart of a method for predicting bonding performance of an aluminum / aluminum-based solder / high nitrogen steel interface according to another embodiment of the present application;

[0083] Figure 10 is a schematic diagram of the first differential charge density map and the second differential charge density map;

[0084] Figure 11 is a schematic diagram of a first localized electron function diagram and a second localized electron function diagram;

[0085] Figure 12Schematic diagram of the structure of the bonding performance prediction device of the aluminum / aluminum-based solder / high nitrogen steel interface provided in an embodiment of the present application;

[0086] Figure 13 This is a structural diagram of an electronic device provided according to an embodiment of the present application. DETAILED DESCRIPTION

[0087] In order to make the purpose, technical solutions and advantages of the embodiments of the present application clearer, the technical solutions in the embodiments of the present application will be clearly and completely described below in conjunction with the drawings in the embodiments of the present application. It should be understood that the drawings in the present application only serve the purpose of illustration and description and are not used to limit the scope of protection of the present application. In addition, it should be understood that the schematic drawings are not drawn to scale. The flowcharts used in this application illustrate the operations implemented according to some embodiments of the present application. It should be understood that the operations of the flowcharts can be implemented out of sequence, and steps without logical context can be reversed or implemented simultaneously. In addition, those skilled in the art, under the guidance of the contents of this application, can add one or more other operations to the flowchart, or remove one or more operations from the flowchart.

[0088] In addition, the described embodiments are only a part of the embodiments of the present application, rather than all of the embodiments. The components of the embodiments of the present application generally described and shown in the drawings here can be arranged and designed in various configurations. Therefore, the following detailed description of the embodiments of the present application provided in the drawings is not intended to limit the scope of the claimed application, but merely represents selected embodiments of the present application. Based on the embodiments of the present application, all other embodiments obtained by those skilled in the art without making creative work are within the scope of protection of the present application.

[0089] It should be noted that the term "comprising" will be used in the embodiments of the present application to indicate the existence of the features declared thereafter, but does not exclude the addition of other features.

[0090] Considering the development trend of lightweight, high-performance and low-cost transportation equipment such as aerospace and automobiles, the application of high-nitrogen steel and aluminum composite structures is becoming more and more extensive. High-nitrogen steel aluminum composite structures give full play to the lightweight characteristics of aluminum alloys and the advantages of high-nitrogen steel in strength and cost, further realizing structural lightweighting and making up for the deficiencies of high-nitrogen steel and aluminum alloy in terms of function and performance, and giving full play to the performance advantages of each metal. Therefore, aluminum / high-nitrogen steel brazing connection has important application value. However, due to the huge differences in physical and chemical properties such as melting point and density between aluminum and high-nitrogen steel, it is very difficult to connect the two. At present, the main method is to optimize the brazing process and parameters and study the physical properties and microstructure evolution of the finished aluminum / high-nitrogen steel brazing joint based on traditional characterization and analysis methods to prepare aluminum / high-nitrogen steel brazing joints.

[0091] However, the joint quality of the aluminum / high nitrogen steel brazing joints prepared by the current method is unstable, and it is difficult to predict the bonding performance of the aluminum / high nitrogen steel brazing joints to improve the quality of the aluminum / high nitrogen steel brazing joints, resulting in general preparation and research and development efficiency of the aluminum / high nitrogen steel brazing joints.

[0092] To address this problem, the present application provides a method for predicting the bonding performance of an aluminum / aluminum-based brazing filler metal / high nitrogen steel interface. By dividing the aluminum crystal structure model, the aluminum-based brazing filler metal crystal structure model, and the high nitrogen steel crystal structure model, a composite model of an aluminum / first aluminum-based brazing filler metal / high nitrogen steel interface is established. The bonding performance is evaluated by using the composite model of an aluminum / second aluminum-based brazing filler metal / high nitrogen steel interface obtained by adjusting multiple second aluminum-based brazing filler metal components. This method can predict the influence of aluminum-based brazing fillers of different components on the interface bonding performance, obtain an aluminum-based brazing filler metal with the best bonding performance, and realize the prediction of the bonding performance of an aluminum / high nitrogen steel brazing joint, thereby improving the quality of an aluminum / high nitrogen steel brazing joint, improving the stability of the joint quality of an aluminum / high nitrogen steel brazing joint, and further improving the preparation and R&D efficiency of an aluminum / high nitrogen steel brazing joint.

[0093] Figure 1 Flowchart of the method for predicting the bonding performance of the aluminum / aluminum-based brazing filler metal / high nitrogen steel interface provided in the embodiment of the present application, as shown in FIG. Figure 1 As shown, the method for predicting the bonding performance of the aluminum / aluminum-based brazing filler metal / high nitrogen steel interface in the embodiment of the present application may specifically include the following steps:

[0094] S101, obtaining an aluminum unit cell crystal model and an iron unit cell crystal model, and constructing multiple crystal structure models based on the aluminum unit cell crystal model and the iron unit cell crystal model.

[0095] In the embodiment of the present application, a plurality of crystal structure models include an aluminum crystal structure model, an aluminum-based solder crystal structure model corresponding to the first aluminum-based solder component, and a high nitrogen steel crystal structure model. The aluminum unit cell crystal model and the iron unit cell crystal model are obtained, and based on the aluminum unit cell crystal model and the iron unit cell crystal model, an aluminum crystal structure model of the metal aluminum surface, an aluminum-based solder crystal structure model, and a high nitrogen steel crystal structure model of the high nitrogen steel surface are constructed. For example, Figure 2 As shown, for subsequent processing. It should be noted that the first aluminum-based brazing filler metal corresponds to the first aluminum-based brazing filler metal component. The first aluminum-based brazing filler metal may have the following composition, calculated in atomic percentage: 87.50% Al, 6.25% Si, and 6.25% Cu. This application describes this as an example, but does not limit the composition of the first aluminum-based brazing filler metal. The specific composition may be set according to actual conditions.

[0096] Optionally, an aluminum unit cell crystal model and an iron unit cell crystal model are obtained based on a Material project database (an open source material database).

[0097] It should be noted that the present application does not impose excessive restrictions on the specific methods of constructing multiple crystal structure models based on the aluminum unit cell crystal model and the iron unit cell crystal model, and can be set according to actual conditions.

[0098] As a possible implementation, an aluminum crystal structure model is constructed based on an aluminum unit cell crystal model; a high nitrogen steel crystal structure model is constructed based on an iron unit cell crystal model; and an aluminum-based solder crystal structure model corresponding to the first aluminum-based solder is constructed based on the Al atoms, Si atoms, and Cu atoms included in the first aluminum-based solder. Obviously, the first aluminum-based solder includes Al atoms, Si atoms, and Cu atoms. Optionally, based on the aluminum unit cell crystal model, Al atoms are gradually replaced with Si atoms and Cu atoms to construct the aluminum-based solder crystal structure model.

[0099] S102 , determining a segmentation method corresponding to each crystal structure model, and segmenting the corresponding crystal structure model based on the different segmentation methods to obtain a plurality of segmented crystal structure models.

[0100] In the embodiments of the present application, the cutting method is a method for cutting the crystal structure model. For example, the cutting method may include a cutting direction and a cutting position. The aluminum crystal structure model, the aluminum-based solder crystal structure model, and the high-nitrogen steel crystal structure model obtained in the above embodiments each correspond to a cutting method. The cutting method corresponding to each crystal structure model is determined, and the corresponding crystal structure model is cut according to different cutting methods to obtain a plurality of crystal structure models after cutting, namely, the aluminum crystal structure model, the aluminum-based solder crystal structure model, and the high-nitrogen steel crystal structure model after cutting, for subsequent processing. Among them, the aluminum unit cell crystal structure model after cutting includes multiple aluminum unit cell crystal planes, the aluminum-based solder crystal structure model after cutting includes multiple aluminum-based solder crystal planes, and the high-nitrogen steel crystal structure model after cutting includes multiple high-nitrogen steel crystal planes.

[0101] Optionally, a preset crystal plane index (eg, 0 1 0) is selected, and the corresponding crystal structure model is segmented based on the crystal plane index and the segmentation method.

[0102] S103, constructing an aluminum-first aluminum-based solder-high nitrogen steel interface composite model based on target aluminum unit cell crystal planes that meet the crystal plane screening conditions among multiple aluminum unit cell crystal planes, target aluminum-based solder crystal planes that meet the crystal plane screening conditions among multiple aluminum-based solder crystal planes, and target high nitrogen steel crystal planes that meet the crystal plane screening conditions among multiple high nitrogen steel crystal planes.

[0103] In the embodiment of the present application, the crystal plane screening condition is the condition for screening the target crystal plane, and the target aluminum crystal cell crystal plane that meets the crystal plane screening condition is determined among the multiple aluminum crystal cell crystal planes of the aluminum crystal cell crystal structure model, the target aluminum-based solder crystal plane that meets the crystal plane screening condition is determined among the multiple aluminum-based solder crystal planes of the aluminum-based solder crystal structure model, and the target high-nitrogen steel crystal plane that meets the crystal plane screening condition is determined among the multiple high-nitrogen steel crystal planes of the high-nitrogen steel crystal structure model, and an aluminum-first aluminum-based solder-high-nitrogen steel interface composite model is constructed based on the target aluminum crystal cell crystal plane, the target aluminum-based solder crystal plane and the target high-nitrogen steel crystal plane. For example, Figure 3 shown.

[0104] It should be noted that when constructing the aluminum-first aluminum-based solder-high nitrogen steel interface composite model, the aluminum-first aluminum-based solder-high nitrogen steel interface composite model is adjusted based on the Redefine Lattice (redefine crystal module) so that the interface mismatch of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model is less than a preset mismatch threshold (e.g., 5%). Optionally, the target parameter (e.g., area) of the high nitrogen steel model is adjusted based on the Redefine Lattice so that the interface mismatch of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model is less than the mismatch threshold.

[0105] It should also be noted that the target thickness (for example, ) vacuum layer to prevent the interaction of periodic mirror images.

[0106] S104, adjusting the aluminum-first aluminum-based solder-high nitrogen steel interface composite model based on the various second aluminum-based solder components to obtain corresponding aluminum-second aluminum-based solder-high nitrogen steel interface composite models of the various second aluminum-based solders.

[0107] In the embodiment of the present application, the second aluminum-based solder component corresponds to the second aluminum-based solder, and the second aluminum-based solder component is the component of the second aluminum-based solder used to adjust the aluminum-first aluminum-based solder-high nitrogen steel interface composite model. Based on multiple second aluminum-based solder components, the aluminum-first aluminum-based solder-high nitrogen steel interface composite model obtained in the above embodiment is adjusted to obtain corresponding aluminum-second aluminum-based solder-high nitrogen steel interface composite models of multiple second aluminum-based solders for subsequent processing. Each second aluminum-based solder component corresponds to an aluminum-second aluminum-based solder-high nitrogen steel interface composite model.

[0108] As a possible embodiment, Si atoms are used to replace the Cu atoms and Al atoms of the first aluminum-based solder in the aluminum-first aluminum-based solder-high nitrogen steel interface composite model based on at least one second aluminum-based solder component to obtain the replaced second aluminum-based solder and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model corresponding to the second aluminum-based solder. The second aluminum-based solder includes Al atoms and Si atoms. For example, Figure 3 As shown, Si atoms are used to replace the Cu and Al atoms in the first aluminum-based solder to obtain the replaced comparative solder 1, i.e., the second aluminum-based solder, and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model corresponding to the comparative solder 1, wherein the composition of the second aluminum-based solder is as follows, calculated in atomic percentage: 87.50% Al, 12.50% Si.

[0109] As a possible implementation, based on at least one second aluminum-based solder component, Cu atoms are used to replace Si atoms and Al atoms of the first aluminum-based solder in the aluminum-first aluminum-based solder-high nitrogen steel interface composite model to obtain the replaced second aluminum-based solder and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model corresponding to the second aluminum-based solder; wherein the second aluminum-based solder includes Al atoms and Cu atoms. For example, Figure 4 As shown, Si and Al atoms in the first aluminum-based brazing filler metal were replaced with Cu atoms to obtain the replaced comparative brazing filler metal 2, i.e., the second aluminum-based brazing filler metal, and the aluminum-second aluminum-based brazing filler metal-high nitrogen steel interface composite model corresponding to the comparative brazing filler metal 2. The second aluminum-based brazing filler metal has the following composition, in atomic percentage: 87.50% Al, 12.50% Cu.

[0110] S105, evaluating the bonding performance of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model, obtaining bonding performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model, and taking the first aluminum-based solder or the second aluminum-based solder whose bonding performance evaluation results meet the preset screening conditions as the target aluminum-based solder.

[0111] In the embodiments of the present application, the preset screening conditions are conditions for screening the bonding performance evaluation results. The bonding performance of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model obtained in the above embodiments are evaluated to obtain the bonding performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model. The bonding performance evaluation results are screened according to the preset screening conditions, and the aluminum-based solder whose bonding performance evaluation results meet the preset screening conditions is determined as the target aluminum-based solder, so that the high nitrogen steel / aluminum brazing joint can be subsequently prepared according to the target aluminum-based solder.

[0112] The embodiment of the present application provides a method for predicting the bonding performance of the aluminum / aluminum-based solder / high nitrogen steel interface, obtains an aluminum unit cell crystal model and an iron unit cell crystal model, and constructs a plurality of crystal structure models based on the aluminum unit cell crystal model and the iron unit cell crystal model, wherein the plurality of crystal structure models include an aluminum crystal structure model, an aluminum-based solder crystal structure model corresponding to a first aluminum-based solder, and a high nitrogen steel crystal structure model, determines a cutting method corresponding to each crystal structure model, and cuts the corresponding crystal structure model based on different cutting methods to obtain a plurality of crystal structure models after cutting, wherein the aluminum unit cell crystal structure model after cutting includes a plurality of aluminum unit cell crystal planes, the aluminum-based solder crystal structure model after cutting includes a plurality of aluminum-based solder crystal planes, the high nitrogen steel crystal structure model after cutting includes a plurality of high nitrogen steel crystal planes, and based on the target that meets the crystal plane screening conditions among the plurality of aluminum unit cell crystal planes An aluminum unit cell crystal plane, a target aluminum-based solder crystal plane that meets the crystal plane screening conditions among multiple aluminum-based solder crystal planes, and a target high-nitrogen steel crystal plane that meets the crystal plane screening conditions among multiple high-nitrogen steel crystal planes are used to construct an aluminum-first aluminum-based solder-high nitrogen steel interface composite model, and the aluminum-first aluminum-based solder-high nitrogen steel interface composite model is adjusted based on multiple second aluminum-based solder components to obtain corresponding aluminum-second aluminum-based solder-high nitrogen steel interface composite models of multiple second aluminum-based solders. The bonding performance of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model is evaluated to obtain a bonding performance evaluation result of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model, so as to obtain the first aluminum-based solder or the second aluminum-based solder whose bonding performance evaluation result meets the preset screening conditions as the target aluminum-based solder. The bonding performance prediction method of the aluminum / aluminum-based solder / high nitrogen steel interface of the present application establishes an aluminum / first aluminum-based solder / high nitrogen steel interface composite model by dividing the aluminum crystal structure model, the aluminum-based solder crystal structure model and the high nitrogen steel crystal structure model, and evaluates the bonding performance by using the aluminum / second aluminum-based solder / high nitrogen steel interface composite model obtained by adjusting multiple second aluminum-based solder components. The method can predict the influence of aluminum-based solders of different components on the interface bonding performance, obtain the aluminum-based solder with the best bonding performance, and realize the prediction of the bonding performance of the aluminum / high nitrogen steel brazing joint, thereby improving the quality of the aluminum / high nitrogen steel brazing joint, improving the stability of the joint quality of the aluminum / high nitrogen steel brazing joint, and further improving the preparation and research and development efficiency of the aluminum / high nitrogen steel brazing joint.

[0113] Further, such as Figure 5 As shown, each crystal plane includes multiple atomic layers; in the above embodiment, step S103 of "constructing an aluminum-first aluminum-based solder-high nitrogen steel interface composite model based on a target aluminum unit cell crystal plane that meets the crystal plane screening conditions among a plurality of aluminum unit cell crystal planes, a target aluminum-based solder crystal plane that meets the crystal plane screening conditions among a plurality of aluminum-based solder crystal planes, and a target high nitrogen steel crystal plane that meets the crystal plane screening conditions among a plurality of high nitrogen steel crystal planes" may specifically include the following steps:

[0114] S501, performing convergence tests on the atomic layers in multiple aluminum unit cell crystal planes, multiple aluminum-based solder crystal planes, and multiple high nitrogen steel crystal planes, respectively, to obtain convergence test results corresponding to each crystal plane.

[0115] In the embodiments of the present application, the convergence test results are the results of the convergence test on the atomic layers of each crystal plane. The atomic layers in the multiple aluminum unit cell crystal planes, the atomic layers in the multiple aluminum-based solder crystal planes and the atomic layers in the multiple high-nitrogen steel crystal planes in the above embodiments are respectively subjected to convergence tests to obtain the convergence test results corresponding to each crystal plane for subsequent processing.

[0116] Optionally, the Z-axis atomic layer number convergence test may be performed on the atomic layers in multiple aluminum unit cell crystal planes, multiple aluminum-based solder crystal planes, and multiple high nitrogen steel crystal planes.

[0117] S502, based on the convergence test results corresponding to each crystal plane, respectively screen out target aluminum unit cell crystal planes that meet the convergence requirements from among multiple aluminum unit cell crystal planes, target aluminum-based solder crystal planes that meet the convergence requirements from among multiple aluminum-based solder crystal planes, and target high-nitrogen steel crystal planes that meet the convergence requirements from among multiple high-nitrogen steel crystal planes.

[0118] In the embodiment of the present application, according to the convergence test results corresponding to each of the multiple aluminum unit cell crystal planes, multiple aluminum-based solder crystal planes, and multiple high-nitrogen steel crystal planes in step S501, the target aluminum unit cell crystal planes that meet the convergence requirements among the multiple aluminum unit cell crystal planes, the target aluminum-based solder crystal planes that meet the convergence requirements among the multiple aluminum-based solder crystal planes, and the target high-nitrogen steel crystal planes that meet the convergence requirements among the multiple high-nitrogen steel crystal planes are further screened for subsequent processing. Among them, the convergence requirement can be the number of atomic layers corresponding to the convergence of different atoms. For example, a Z-axis atomic layer number convergence test is performed on each crystal plane, and 3 layers of Fe atoms, 5 layers of Al atoms, and 3 layers of aluminum-based solder atoms converge. At this time, it can be ensured that the energy of the corresponding crystal structure model is in a steady state, thereby obtaining the target aluminum unit cell crystal plane, the target aluminum-based solder crystal plane, and the high-nitrogen steel crystal plane.

[0119] S503: Constructing an aluminum-first aluminum-based solder-high nitrogen steel interface composite model based on the target aluminum unit cell crystal plane, the target aluminum-based solder crystal plane, and the target high nitrogen steel crystal plane.

[0120] In the embodiment of the present application, an aluminum-first aluminum-based solder-high nitrogen steel interface composite model is constructed based on the target aluminum unit cell crystal plane, target aluminum-based solder crystal plane and target high nitrogen steel crystal plane obtained in step S502 for subsequent processing.

[0121] Further, such as Figure 6As shown, after constructing multiple crystal structure models based on the aluminum unit cell crystal model and the iron unit cell crystal model, the method for predicting the bonding performance of the aluminum / aluminum-based solder / high nitrogen steel interface in the embodiment of the present application may further include the following steps:

[0122] S601, determining corresponding first optimization parameters based on aluminum, aluminum-based solder, and high nitrogen steel.

[0123] In the embodiment of the present application, the first optimization parameters include the k-space grid, the self-consistent convergence error, the plane wave energy accuracy, and the plane wave cutoff energy; wherein the k-space grid is 4×4×1 (i.e., 4×4×1 k-grid points are summed over the Brillouin zone), the self-consistent convergence error is 1×10 -6 eV / atom, plane wave energy accuracy is 2×10 -5 eV / atom, a plane wave cutoff energy of 381eV, and corresponding first optimization parameters are determined based on aluminum, aluminum-based solder, and high nitrogen steel. For example, the corresponding first optimization parameters are determined based on the material properties of aluminum, aluminum-based solder, and high nitrogen steel.

[0124] S602, structurally optimizing the aluminum crystal structure model, the aluminum-based solder crystal structure model, and the high nitrogen steel crystal structure model based on the first optimization parameter to obtain structurally optimized aluminum crystal structure models, the aluminum-based solder crystal structure model, and the high nitrogen steel crystal structure model.

[0125] In an embodiment of the present application, the aluminum crystal structure model, the aluminum-based solder crystal structure model and the high nitrogen steel crystal structure model are structurally optimized respectively based on the first optimization parameter determined in step S601 to obtain the structurally optimized aluminum crystal structure model, the aluminum-based solder crystal structure model and the high nitrogen steel crystal structure model.

[0126] Further, such as Figure 7 As shown, after constructing the aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model, the method for predicting the bonding performance of the aluminum / aluminum-based brazing filler metal / high nitrogen steel interface in the embodiment of the present application may further include the following steps:

[0127] S701, obtaining corresponding second optimization parameters based on aluminum, aluminum-based brazing filler metal, and high nitrogen steel.

[0128] In the embodiment of the present application, the second optimization parameters include the convergence criteria of k-space grid, plane wave cutoff energy, plane wave energy accuracy, internal stress, maximum displacement and system energy; the k-space grid is 3×3×1, the plane wave cutoff energy Ecut is 326.5eV, the plane wave energy accuracy is 2×105eV / atom, the internal stress is less than 0.1GPa, and the maximum displacement is less than The convergence criterion of the system energy is 2×10 -6eV / atom, obtain corresponding second optimization parameters based on aluminum, aluminum-based solder and high nitrogen steel, for example, determine the corresponding second optimization parameters according to the material properties of aluminum, aluminum-based solder and high nitrogen steel.

[0129] S702 , structurally optimizing the aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model based on the second optimization parameter to obtain a structurally optimized aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model.

[0130] In an embodiment of the present application, the aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model is structurally optimized based on the second optimization parameter determined in step S701 to obtain a structurally optimized aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model for subsequent processing.

[0131] It should be noted that after constructing the aluminum-second aluminum-based brazing filler metal-high nitrogen steel interface composite model, structural optimization calculations are also required, which will not be described in detail here.

[0132] Further, such as Figure 8 As shown, step S105 in the above embodiment, "evaluating the bonding performance of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model to obtain the bonding performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model" may specifically include the following steps:

[0133] S801, calculating a first interface adhesion work of an aluminum-first aluminum-based solder-high nitrogen steel interface composite model and a second interface adhesion work of an aluminum-first aluminum-based solder-high nitrogen steel interface composite model based on a preset interface adhesion work calculation formula.

[0134] In the embodiment of the present application, the interface adhesion work calculation formula is a pre-set formula for calculating the interface adhesion work. Based on the interface adhesion work calculation formula, the first interface adhesion work of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the second interface adhesion work of the aluminum-second aluminum-based solder-high nitrogen steel interface composite model are calculated for subsequent processing.

[0135] The first interface adhesion work and the second interface adhesion work are calculated using the following formulas:

[0136] W ad =(E A +E B +E C -E A / B / C ) / 2A

[0137] Among them, W ad is the interfacial adhesion work; E A 、E B、E C are the total energy of the crystal structure model of the metal aluminum surface, aluminum-based solder, and high nitrogen steel surface; E A / B / C is the energy of the interface composite model; A is the cross-sectional area of ​​the interface composite model.

[0138] For example, according to the above calculation formula, the first interface adhesion work can be calculated as Wad = 3.690671185 J / m2, the second interface adhesion work of the aluminum-second aluminum-based solder-high nitrogen steel interface composite model corresponding to solder 1 is Wad = 1.751682418 J / m2, and the second interface adhesion work of the aluminum-second aluminum-based solder-high nitrogen steel interface composite model corresponding to solder 2 is Wad = 3.690671185 J / m2.

[0139] It should be noted that this application describes the comparison between the first interface adhesion work and the second interface adhesion work corresponding to the comparative solder 1 as an example, and does not elaborate on the comparison between the first interface adhesion work and the second interface adhesion work corresponding to the comparative solder 2.

[0140] S802, comparing the first interface adhesion work and each second interface adhesion work to obtain a combined performance evaluation result of the aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model and the aluminum-second aluminum-based brazing filler metal-high nitrogen steel interface composite model.

[0141] In the embodiment of the present application, the first interface adhesion work of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model calculated in step S801 is compared with the second interface adhesion work of each aluminum-second aluminum-based solder-high nitrogen steel interface composite model to obtain the bonding performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model. For example, as described above, the first interface adhesion work is Wad = 3.690671185 J / m2. Compared with the second interface adhesion work of the aluminum-second aluminum-based solder-high nitrogen steel interface composite model corresponding to solder 1, which is Wad = 1.751682418 J / m2, it can be seen that the first interface adhesion work of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model is greater than the second interface adhesion work of the aluminum-second aluminum-based solder-high nitrogen steel interface composite model, indicating that the bonding performance of the aluminum-first aluminum-based solder-high nitrogen steel interface is higher.

[0142] Further, such as Figure 9 As shown, step S105 in the above embodiment, "evaluating the bonding performance of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model to obtain the bonding performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model" may specifically include the following steps:

[0143] S901, obtaining a first local electron function diagram, a first Mulliken layout analysis table, and a first differential charge density diagram of different atoms under the same functional conditions for the aluminum-first aluminum-based solder-high nitrogen steel interface composite model, as well as a second local electron function diagram, a second Mulliken layout analysis table, and a second differential charge density diagram of different atoms under the same functional conditions for the aluminum-second aluminum-based solder-high nitrogen steel interface composite model.

[0144] In the embodiment of the present application, the first differential charge density diagram of different atoms in the aluminum-first aluminum-based solder-high nitrogen steel interface composite model under the same functional conditions and the second differential charge density diagram of different atoms in the aluminum-second aluminum-based solder-high nitrogen steel interface composite model under the same functional conditions are obtained, such as Figure 10 Obtain the first local electron function diagram of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the second local electron function diagram of the aluminum-second aluminum-based solder-high nitrogen steel interface composite model, as shown Figure 11 As shown; the Mulliken layout analysis table of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the Mulliken layout analysis table of the aluminum-second aluminum-based solder-high nitrogen steel interface composite model are obtained, as shown in Table 1 below. Table 1 is the Mulliken layout analysis table of the main chemical bonds of the aluminum / first aluminum-based solder / high nitrogen steel interface composite model and the aluminum / second aluminum-based solder / high nitrogen steel interface composite model.

[0145] Table 1

[0146]

[0147]

[0148] S902, based on the first local electron function diagram, the first Mulliken layout analysis table, the first differential charge density diagram and the second local electron function diagram, the second Mulliken layout analysis table and the second differential charge density diagram, obtain the combined performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model.

[0149] In an embodiment of the present application, based on the first local electron function diagram, the first Mulliken layout analysis table, the first differential charge density diagram of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model obtained in step S901, and the second local electron function diagram, the second Mulliken layout analysis table and the second differential charge density diagram of the aluminum-second aluminum-based solder-high nitrogen steel interface composite model, the combined performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model are obtained.

[0150] It should be noted that after determining the bonding performance evaluation results of the aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model and the aluminum-second aluminum-based brazing filler metal-high nitrogen steel interface composite model, it is indicated that the aluminum-based brazing filler metal with the best bonding performance is determined so that the brazing joint can be subsequently prepared based on the aluminum-based brazing filler metal (component).

[0151] For example, the binding performance can be assessed by comparing the differential charge density maps, e.g. Figure 10 As shown, for Figure 10 On the left, at the aluminum-first aluminum-based solder-high nitrogen steel interface, there are shared electrons between the Al atoms in the aluminum-based solder, i.e., the first aluminum-based solder, and the aluminum surface model, and there is a clear electron cloud overlap, forming an Al-Al covalent bond; the electron cloud near the Al atom moves toward the Fe atom, thereby increasing the attraction between the Al and Fe atoms, that is, increasing the effect of the Al-Fe covalent bond, forming a stronger Al-Fe bond. At the same time, electrons are also transferred between the Si and Al atoms, and the distance between the Al and Si atoms is reduced, indicating that the Si-Al bond is stronger. There is a clear electron cloud overlap between the Cu atom and its nearest neighbor Al and Si atoms, and the electron cloud is closer to the Al and Si atoms, increasing the attraction between the Cu atom and the Al and Si atoms, forming Cu-Al and Cu-Si bonds. The nearest neighbor Al and Si atoms are electronegative to Cu. Figure 10 On the right side, the aluminum-comparison solder 1 (second aluminum-based solder)-high nitrogen steel interface, the electron cloud near the Al atoms on the surface of comparison solder 1, i.e., the second aluminum-based solder, moves toward the Fe atoms on the surface of the high nitrogen steel, forming an Fe-Al bond. The charge density near the Fe atoms is high, and Fe is electronegative to Al. Moreover, there is a clear overlap of electron clouds between the Al and Si atoms in the solder and the Al atoms on the aluminum surface, forming Al-Al and Al-Si bonds. However, by comparing the charge density between the Al atoms in the first and second aluminum-based solders on the left and right sides of the figure and the Fe atoms on the surface of the high nitrogen steel, it is concluded that the charge density at the aluminum / first aluminum-based solder / high nitrogen steel interface is stronger and the electron cloud overlap area is larger. Therefore, the strength of the Al-Fe bond at the aluminum / first aluminum-based solder / high nitrogen steel interface is greater than that of the aluminum / second aluminum-based solder / high nitrogen steel Al-Fe bond, indicating that the bonding performance of the aluminum / first aluminum-based solder / high nitrogen steel interface is better.

[0152] For example, the electron localization function (ELF) can quantitatively describe the bonding characteristics between atoms. In this case, the bonding performance can be evaluated by comparing the localized electron function diagrams, such as Figure 11 As shown, for Figure 11At the aluminum-first aluminum-based solder-high nitrogen steel interface on the left, it can be seen that the ELF around Cu is evenly distributed, indicating that Cu evenly contributes its valence electrons to the three nearest Al atoms and one Si atom, so the ELF value around Cu is 0. At the same time, the ELF value between Al(58) and Si(1) remains greater than 0.75, which is a typical covalent bond characteristic. Therefore, it is believed that there are both ionic bonds and covalent bonds between Al(58)-Si(1), among which covalent bonds play a major role. The Al(38)-Al(11) bond also shows obvious covalent bond characteristics, with an ELF value greater than 0.75. In addition, the Fe(16) atom contributes its valence electrons to the Al(22) atom, and the bond between it and the Al(22) atom is an ionic bond; for Figure 11 On the right side, the aluminum-comparison filler metal 1 (second aluminum-based filler metal)-high nitrogen steel interface shows obvious covalent bond characteristics at the Al(57)-Si(3) bond, while the ELF distribution between Al(52) and Al(19) is uniform, indicating that the electrons between the two atoms transfer to form the Al(52)-Al(19) bond with stable covalent bond characteristics. At the same time, the Fe(16)-Si(2) and Fe(4)-Al(18) bonds have both ionic and covalent bond characteristics, with covalent bonds playing a dominant role. By comparing the local electron function diagrams on the left and right sides of the figure, it can be concluded that the average value of the ELF between different atoms at the aluminum / first aluminum-based filler metal / high nitrogen steel interface is larger than that at the aluminum / second aluminum-based filler metal / high nitrogen steel interface, and the main chemical bonds are mostly covalent bonds, indicating that the probability of electron pairs appearing in the aluminum / first aluminum-based filler metal / high nitrogen steel interface is greater, the probability of bonding is higher, and the interface has better bonding performance.

[0153] For example, the Mulliken bond layout can reflect the distribution of electrons at the interface and quantify the type and strength of the bonding interaction. At this time, the bonding performance can be evaluated by comparing the Mulliken layout analysis table. As shown in Table 1 above, the layout number of the Al(22)-Fe(16) bond in the first aluminum-based solder is 0.68, and its strength is greater than that of the Al(19)-Al(52) and Al(57)-Si(3) in the comparative solder 1 (the second aluminum-based solder). The bond type in the comparative solder 1 is more inclined to covalent bond characteristics, while the bond in the first aluminum-based solder has both ionic and covalent bond characteristics. Therefore, the bonding strength of the aluminum / first aluminum-based solder / high nitrogen steel interface is higher than that of the aluminum / second aluminum-based solder / high nitrogen steel interface.

[0154] Obviously, by comparing the bonding performance of the aluminum / first aluminum-based solder / high nitrogen steel interface and the aluminum / comparison solder 1 (second aluminum-based solder) / high nitrogen steel interface, it is finally established that the aluminum / first aluminum-based solder / high nitrogen steel interface has the best bonding performance.

[0155] Figure 12Schematic diagram of the structure of the device for predicting the bonding performance of the aluminum / aluminum-based solder / high nitrogen steel interface provided in the embodiment of the present application. Figure 12 As shown, the bonding performance prediction device 1200 of the aluminum / aluminum-based brazing filler metal / high nitrogen steel interface of the embodiment of the present application may specifically include:

[0156] The first construction module 1201 is used to obtain an aluminum unit cell crystal model and an iron unit cell crystal model, and construct multiple crystal structure models based on the aluminum unit cell crystal model and the iron unit cell crystal model; wherein the multiple crystal structure models include an aluminum crystal structure model, an aluminum-based solder crystal structure model corresponding to the first aluminum-based solder, and a high nitrogen steel crystal structure model.

[0157] The cutting module 1202 is used to determine the cutting methods corresponding to each crystal structure model, and cut the corresponding crystal structure models based on different cutting methods to obtain multiple crystal structure models after cutting; wherein, the aluminum unit cell crystal structure model after cutting includes multiple aluminum unit cell crystal planes; the aluminum-based solder crystal structure model after cutting includes multiple aluminum-based solder crystal planes; the high-nitrogen steel crystal structure model after cutting includes multiple high-nitrogen steel crystal planes.

[0158] The second construction module 1203 is used to construct an aluminum-first aluminum-based solder-high nitrogen steel interface composite model based on a target aluminum unit cell crystal plane that meets the crystal plane screening conditions among multiple aluminum unit cell crystal planes, a target aluminum-based solder crystal plane that meets the crystal plane screening conditions among multiple aluminum-based solder crystal planes, and a target high nitrogen steel crystal plane that meets the crystal plane screening conditions among multiple high nitrogen steel crystal planes.

[0159] The adjustment module 1204 is used to adjust the aluminum-first aluminum-based solder-high nitrogen steel interface composite model based on the multiple second aluminum-based solder components to obtain the corresponding aluminum-second aluminum-based solder-high nitrogen steel interface composite models of the multiple second aluminum-based solders.

[0160] The evaluation module 1205 is used to evaluate the bonding performance of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model, and obtain the bonding performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model, so as to obtain the first aluminum-based solder or the second aluminum-based solder whose bonding performance evaluation results meet the preset screening conditions as the target aluminum-based solder.

[0161] In a possible implementation, the first building block is specifically configured to:

[0162] Construct an aluminum crystal structure model based on the aluminum unit cell crystal model;

[0163] Construct a high nitrogen steel crystal structure model based on the iron unit cell crystal;

[0164] Based on Al atoms, Si atoms, and Cu atoms included in the first aluminum-based solder, an aluminum-based solder crystal structure model corresponding to the first aluminum-based solder is constructed.

[0165] In one possible implementation, each crystal plane includes multiple atomic layers; the second building block is specifically configured to:

[0166] Convergence tests were performed on the atomic layers in multiple aluminum unit cell planes, multiple aluminum-based solder planes, and multiple high-nitrogen steel planes, and the convergence test results corresponding to each plane were obtained.

[0167] According to the convergence test results corresponding to each crystal plane, target aluminum unit cell crystal planes that meet the convergence requirements among multiple aluminum unit cell crystal planes, target aluminum-based solder crystal planes that meet the convergence requirements among multiple aluminum-based solder crystal planes, and target high-nitrogen steel crystal planes that meet the convergence requirements among multiple high-nitrogen steel crystal planes are screened out respectively;

[0168] An aluminum-first aluminum-based solder-high nitrogen steel interface composite model was constructed based on the target aluminum unit cell crystal plane, the target aluminum-based solder crystal plane and the target high nitrogen steel crystal plane.

[0169] In a possible implementation, the adjustment module is specifically configured to:

[0170] Based on at least one second aluminum-based solder component, Si atoms are used to replace Cu atoms and Al atoms of the first aluminum-based solder in the aluminum-first aluminum-based solder-high nitrogen steel interface composite model to obtain the replaced second aluminum-based solder and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model corresponding to the second aluminum-based solder; wherein the second aluminum-based solder includes Al atoms and Si atoms;

[0171] and / or,

[0172] Based on at least one second aluminum-based solder component, Cu atoms are used to replace the Si atoms and Al atoms of the first aluminum-based solder in the aluminum-first aluminum-based solder-high nitrogen steel interface composite model to obtain the replaced second aluminum-based solder and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model corresponding to the second aluminum-based solder; wherein the second aluminum-based solder includes Al atoms and Cu atoms.

[0173] In one possible embodiment, the device for predicting the bonding performance of the aluminum / aluminum-based brazing filler metal / high nitrogen steel interface further includes:

[0174] a first determination module for determining corresponding first optimization parameters based on aluminum, aluminum-based solder, and high-nitrogen steel after constructing multiple crystal structure models based on an aluminum unit cell crystal model and an iron unit cell crystal model; wherein the first optimization parameters include a k-space grid, a self-consistent convergence error, a plane wave energy accuracy, and a plane wave cutoff energy; the k-space grid is 4×4×1, the self-consistent convergence error is 1×106 eV / atom, the plane wave energy accuracy is 2×105 eV / atom, and the plane wave cutoff energy is 381 eV;

[0175] The first optimization module is used to structurally optimize the aluminum crystal structure model, the aluminum-based solder crystal structure model and the high nitrogen steel crystal structure model based on the first optimization parameter to obtain the structurally optimized aluminum crystal structure model, the aluminum-based solder crystal structure model and the high nitrogen steel crystal structure model.

[0176] In one possible embodiment, the device for predicting the bonding performance of the aluminum / aluminum-based brazing filler metal / high nitrogen steel interface further includes:

[0177] The second determination module is used to obtain corresponding second optimization parameters based on aluminum, aluminum-based solder and high nitrogen steel after constructing the aluminum-first aluminum-based solder-high nitrogen steel interface composite model; wherein the second optimization parameters include k-space grid, plane wave cutoff energy, plane wave energy accuracy, internal stress, maximum displacement and convergence standard of system energy; the k-space grid is 3×3×1, the plane wave cutoff energy Ecut is 326.5eV, the plane wave energy accuracy is 2×10 5eV / atom, the internal stress is less than 0.1GPa, and the maximum displacement is less than The convergence criterion of system energy is 2×10-6eV / atom;

[0178] The second optimization module is used to perform structural optimization on the aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model based on the second optimization parameters to obtain a structurally optimized aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model.

[0179] In a possible implementation, the assessment module is specifically configured to:

[0180] The first interface adhesion work of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the second interface adhesion work of the aluminum-second aluminum-based solder-high nitrogen steel interface composite model are calculated based on the preset interface adhesion work calculation formula; wherein the first interface adhesion work and the second interface adhesion work are both calculated using the following calculation formula:

[0181] W ad =(E A +E B +E C -E A / B / C ) / 2A

[0182] Among them, W ad is the interfacial adhesion work; E A 、E B 、E C are the total energy of the crystal structure model of the metal aluminum surface, aluminum-based solder, and high nitrogen steel surface; E A / B / C is the energy of the interface composite model; A is the cross-sectional area of ​​the interface composite model;

[0183] The first interface adhesion work and each second interface adhesion work are compared to obtain the combined performance evaluation results of the aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model and the aluminum-second aluminum-based brazing filler metal-high nitrogen steel interface composite model.

[0184] In a possible implementation, the assessment module is specifically configured to:

[0185] Obtaining a first local electron function diagram, a first Mulliken layout analysis table, and a first differential charge density diagram of different atoms under the same functional conditions for an aluminum-first aluminum-based solder-high nitrogen steel interface composite model, as well as a second local electron function diagram, a second Mulliken layout analysis table, and a second differential charge density diagram of different atoms under the same functional conditions for an aluminum-second aluminum-based solder-high nitrogen steel interface composite model;

[0186] Based on the first local electron function diagram, the first Mulliken layout analysis table, the first differential charge density diagram, and the second local electron function diagram, the second Mulliken layout analysis table, and the second differential charge density diagram, the combined performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model were obtained.

[0187] The embodiment of the present application provides a device for predicting the bonding performance of the aluminum / aluminum-based solder / high nitrogen steel interface, which obtains an aluminum unit cell crystal model and an iron unit cell crystal model, and constructs a plurality of crystal structure models based on the aluminum unit cell crystal model and the iron unit cell crystal model, wherein the plurality of crystal structure models include an aluminum crystal structure model, an aluminum-based solder crystal structure model corresponding to a first aluminum-based solder, and a high nitrogen steel crystal structure model, determines a cutting method corresponding to each crystal structure model, and cuts the corresponding crystal structure model based on different cutting methods to obtain a plurality of crystal structure models after cutting, wherein the aluminum unit cell crystal structure model after cutting includes a plurality of aluminum unit cell crystal planes, the aluminum-based solder crystal structure model after cutting includes a plurality of aluminum-based solder crystal planes, the high nitrogen steel crystal structure model after cutting includes a plurality of high nitrogen steel crystal planes, and based on the target that meets the crystal plane screening conditions among the plurality of aluminum unit cell crystal planes An aluminum unit cell crystal plane, a target aluminum-based solder crystal plane that meets the crystal plane screening conditions among multiple aluminum-based solder crystal planes, and a target high-nitrogen steel crystal plane that meets the crystal plane screening conditions among multiple high-nitrogen steel crystal planes are used to construct an aluminum-first aluminum-based solder-high nitrogen steel interface composite model, and the aluminum-first aluminum-based solder-high nitrogen steel interface composite model is adjusted based on multiple second aluminum-based solder components to obtain corresponding aluminum-second aluminum-based solder-high nitrogen steel interface composite models of multiple second aluminum-based solders. The bonding performance of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model is evaluated to obtain a bonding performance evaluation result of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model, so as to obtain the first aluminum-based solder or the second aluminum-based solder whose bonding performance evaluation result meets the preset screening conditions as the target aluminum-based solder. The bonding performance prediction device of the aluminum / aluminum-based solder / high nitrogen steel interface of the present application establishes an aluminum / first aluminum-based solder / high nitrogen steel interface composite model by dividing the aluminum crystal structure model, the aluminum-based solder crystal structure model and the high nitrogen steel crystal structure model, and evaluates the bonding performance by using the aluminum / second aluminum-based solder / high nitrogen steel interface composite model obtained by adjusting multiple second aluminum-based solder components. It can predict the influence of different components of aluminum-based solder on the interface bonding performance, obtain the aluminum-based solder with the best bonding performance, and realize the prediction of the bonding performance of the aluminum / high nitrogen steel brazing joint, thereby improving the quality of the aluminum / high nitrogen steel brazing joint, improving the stability of the joint quality of the aluminum / high nitrogen steel brazing joint, and further improving the preparation and research and development efficiency of the aluminum / high nitrogen steel brazing joint.

[0188] like Figure 13As shown, an electronic device 1300 provided in an embodiment of the present application includes: a processor 1301, a memory 1302 and a bus, wherein the memory 1302 stores machine-readable instructions executable by the processor 1301. When the electronic device is running, the processor 1301 communicates with the memory 1302 through the bus, and the processor 1301 executes the machine-readable instructions to perform the steps of the above-mentioned method for predicting the bonding performance of the aluminum / aluminum-based solder / high nitrogen steel interface.

[0189] Specifically, the above-mentioned memory 1302 and processor 1301 can be general-purpose memory and processor, which are not specifically limited here. When the processor 1301 runs the computer program stored in the memory 1302, it can execute the above-mentioned aluminum / aluminum-based solder / high nitrogen steel interface bonding performance prediction method.

[0190] Those skilled in the art can clearly understand that, for the convenience and brevity of description, the specific working process of the system and device described above can refer to the corresponding process in the method embodiment, and will not be repeated in this application. In the several embodiments provided in this application, it should be understood that the disclosed system, device and method can be implemented in other ways. The device embodiments described above are merely schematic. For example, the division of the modules is only a logical function division. There may be other division methods in actual implementation. For example, multiple modules or components can be combined or integrated into another system, or some features can be ignored or not executed. Another point is that the mutual coupling or direct coupling or communication connection shown or discussed can be through some communication interfaces, indirect coupling or communication connection of devices or modules, which can be electrical, mechanical or other forms.

[0191] The modules described as separate components may or may not be physically separate, and the components shown as modules may or may not be physical units, that is, they may be located in one place or distributed across multiple network elements. Some or all of these units may be selected to achieve the purpose of this embodiment according to actual needs.

[0192] In addition, each functional unit in each embodiment of the present application may be integrated into one processing unit, or each unit may exist physically separately, or two or more units may be integrated into one unit.

[0193] If the functions are implemented in the form of software functional units and sold or used as independent products, they can be stored in a non-volatile computer-readable storage medium that is executable by a processor. Based on this understanding, the technical solution of the present application, or the part that contributes to the prior art, or the part of the technical solution, can be embodied in the form of a software product. The computer software product is stored in a storage medium and includes several instructions for enabling a computer device (which can be a personal computer, server, or network device, etc.) to execute all or part of the steps of the deployment method described in each embodiment of the present application. The aforementioned storage medium includes various media that can store program codes, such as a USB flash drive, a mobile hard disk, a ROM, a RAM, a magnetic disk, or an optical disk.

[0194] The above are only specific embodiments of the present application, but the scope of protection of this application is not limited thereto. Any changes or substitutions that can be easily conceived by a person skilled in the art within the technical scope disclosed in this application should be included in the scope of protection of this application. Therefore, the scope of protection of this application should be based on the scope of protection of the claims.

Claims

1. A method for predicting the bonding performance of an aluminum / aluminum-based solder / high nitrogen steel interface, characterized in that: The prediction method comprises: Obtaining an aluminum unit cell crystal model and an iron unit cell crystal model, and constructing multiple crystal structure models based on the aluminum unit cell crystal model and the iron unit cell crystal model; wherein the multiple crystal structure models include an aluminum crystal structure model, an aluminum-based solder crystal structure model corresponding to the first aluminum-based solder, and a high-nitrogen steel crystal structure model; Determining a slicing method corresponding to each crystal structure model, and slicing the corresponding crystal structure model based on the different slicing methods to obtain a plurality of sliced ​​crystal structure models; wherein the sliced ​​aluminum unit cell crystal structure model includes a plurality of aluminum unit cell crystal planes; the sliced ​​aluminum-based solder crystal structure model includes a plurality of aluminum-based solder crystal planes; and the sliced ​​high-nitrogen steel crystal structure model includes a plurality of high-nitrogen steel crystal planes; Based on a target aluminum unit cell crystal plane that meets the crystal plane screening conditions among multiple aluminum unit cell crystal planes, a target aluminum-based solder crystal plane that meets the crystal plane screening conditions among multiple aluminum-based solder crystal planes, and a target high-nitrogen steel crystal plane that meets the crystal plane screening conditions among multiple high-nitrogen steel crystal planes, a composite model of the aluminum-first aluminum-based solder-high-nitrogen steel interface is constructed; Adjusting the aluminum-first aluminum-based solder-high nitrogen steel interface composite model based on multiple second aluminum-based solder components to obtain corresponding aluminum-second aluminum-based solder-high nitrogen steel interface composite models of multiple second aluminum-based solder components; The bonding performance of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model are evaluated to obtain bonding performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model, so as to obtain the first aluminum-based solder or the second aluminum-based solder whose bonding performance evaluation results meet the preset screening conditions as the target aluminum-based solder.

2. The method according to claim 1, characterized in that The multiple crystal structure models are constructed based on the aluminum unit cell crystal model and the iron unit cell crystal model, including: Constructing an aluminum crystal structure model based on the aluminum unit cell crystal model; Constructing a high nitrogen steel crystal structure model based on the iron unit cell crystal; Based on the Al atoms, Si atoms and Cu atoms included in the first aluminum-based solder, an aluminum-based solder crystal structure model corresponding to the first aluminum-based solder is constructed.

3. The method according to claim 1, characterized in that Each crystal plane includes multiple atomic layers; and constructing an aluminum-first aluminum-based solder-high nitrogen steel interface composite model based on a target aluminum unit cell crystal plane that meets the crystal plane screening conditions among the multiple aluminum unit cell crystal planes, a target aluminum-based solder crystal plane that meets the crystal plane screening conditions among the multiple aluminum-based solder crystal planes, and a target high nitrogen steel crystal plane that meets the crystal plane screening conditions among the multiple high nitrogen steel crystal planes comprises: Conducting convergence tests on the atomic layers in the plurality of aluminum unit cell crystal planes, the plurality of aluminum-based solder crystal planes, and the plurality of high nitrogen steel crystal planes, respectively, to obtain convergence test results corresponding to each crystal plane; According to the convergence test results corresponding to each crystal plane, a target aluminum unit cell crystal plane that meets the convergence requirements among the multiple aluminum unit cell crystal planes, a target aluminum-based solder crystal plane that meets the convergence requirements among the multiple aluminum-based solder crystal planes, and a target high-nitrogen steel crystal plane that meets the convergence requirements among the multiple high-nitrogen steel crystal planes are screened out respectively; The aluminum-first aluminum-based solder-high nitrogen steel interface composite model is constructed based on the target aluminum unit cell crystal plane, the target aluminum-based solder crystal plane, and the target high nitrogen steel crystal plane.

4. The method according to claim 2, characterized in that The method of adjusting the aluminum-first aluminum-based solder-high nitrogen steel interface based on multiple second aluminum-based solder components to obtain corresponding aluminum-second aluminum-based solder-high nitrogen steel interface composite models of multiple second aluminum-based solders includes: Replacing Cu atoms and Al atoms of the first aluminum-based solder in the aluminum-first aluminum-based solder-high nitrogen steel interface composite model with Si atoms based on at least one component of the second aluminum-based solder, so as to obtain the replaced second aluminum-based solder and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model corresponding to the second aluminum-based solder; wherein the second aluminum-based solder includes Al atoms and Si atoms; and / or, Based on at least one component of the second aluminum-based solder, Cu atoms are used to replace the Si atoms and Al atoms of the first aluminum-based solder in the aluminum-first aluminum-based solder-high nitrogen steel interface composite model to obtain the replaced second aluminum-based solder and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model corresponding to the second aluminum-based solder; wherein the second aluminum-based solder includes Al atoms and Cu atoms.

5. The method according to claim 1, wherein After constructing a plurality of crystal structure models based on the aluminum unit cell crystal model and the iron unit cell crystal model, the method further includes: Determining corresponding first optimization parameters based on the aluminum, the aluminum-based brazing filler metal, and the high-nitrogen steel; wherein the first optimization parameters include a k-space grid, a self-consistent convergence error, a plane wave energy accuracy, and a plane wave cutoff energy; the k-space grid is 4×4×1, the self-consistent convergence error is 1×10 6 eV / atom, the plane wave energy accuracy is 2×10 5 eV / atom, and the plane wave cutoff energy is 381 eV; The aluminum crystal structure model, the aluminum-based solder crystal structure model and the high nitrogen steel crystal structure model are structurally optimized based on the first optimization parameter to obtain the structurally optimized aluminum crystal structure model, the aluminum-based solder crystal structure model and the high nitrogen steel crystal structure model.

6. The method according to claim 4, characterized in that After constructing the aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model, the method further includes: The corresponding second optimization parameters are obtained based on the aluminum, the aluminum-based solder and the high nitrogen steel; wherein the second optimization parameters include the convergence criteria of the k-space grid, the plane wave cutoff energy, the plane wave energy accuracy, the internal stress, the maximum displacement and the system energy; the k-space grid is 3×3×1, the plane wave cutoff energy Ecut is 326.5eV, the plane wave energy accuracy is 2×105eV / atom, the internal stress is less than 0.1GPa, and the maximum displacement is less than The convergence criterion of the system energy is 2×10-6eV / atom; The aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model is structurally optimized based on the second optimization parameter to obtain the aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model after structural optimization.

7. The method according to claim 1, characterized in that The bonding performance of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model is evaluated to obtain bonding performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model; including: The first interface adhesion work of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the second interface adhesion work of the aluminum-second aluminum-based solder-high nitrogen steel interface composite model are calculated based on a preset interface adhesion work calculation formula; wherein the first interface adhesion work and the second interface adhesion work are both calculated using the following calculation formulas: W ad =(E A +E B +E C -HAVE BEEN A / B / C ) / 2A Among them, W ad is the interfacial adhesion work; E A 、E B 、E C are the total energy of the crystal structure model of the metal aluminum surface, aluminum-based solder, and high nitrogen steel surface; E A / B / C is the energy of the interface composite model; A is the cross-sectional area of ​​the interface composite model; The first interface adhesion work and each of the second interface adhesion works are compared to obtain the combined performance evaluation results of the aluminum-first aluminum-based brazing filler metal-high nitrogen steel interface composite model and the aluminum-second aluminum-based brazing filler metal-high nitrogen steel interface composite model.

8. The method according to claim 7, characterized in that The step of evaluating the bonding performance of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model to obtain the bonding performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model further includes: Obtaining a first local electron function diagram, a first Mulliken layout analysis table, and a first differential charge density diagram of different atoms under the same functional conditions for the aluminum-first aluminum-based solder-high nitrogen steel interface composite model, as well as a second local electron function diagram, a second Mulliken layout analysis table, and a second differential charge density diagram of different atoms under the same functional conditions for the aluminum-second aluminum-based solder-high nitrogen steel interface composite model; Based on the first local electron function diagram, the first Mulliken layout analysis table, the first differential charge density diagram, and the second local electron function diagram, the second Mulliken layout analysis table, and the second differential charge density diagram, the combined performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model are obtained.

9. A device for predicting the bonding performance of the aluminum / aluminum-based solder / high nitrogen steel interface, characterized in that: The prediction device comprises: A first construction module is used to obtain an aluminum unit cell crystal model and an iron unit cell crystal model, and construct multiple crystal structure models based on the aluminum unit cell crystal model and the iron unit cell crystal model; wherein the multiple crystal structure models include an aluminum crystal structure model, an aluminum-based solder crystal structure model corresponding to the first aluminum-based solder, and a high-nitrogen steel crystal structure model; a slicing module, for determining a slicing method corresponding to each crystal structure model, and slicing the corresponding crystal structure model based on the different slicing methods to obtain a plurality of sliced ​​crystal structure models; wherein the sliced ​​aluminum unit cell crystal structure model includes a plurality of aluminum unit cell crystal planes; the sliced ​​aluminum-based solder crystal structure model includes a plurality of aluminum-based solder crystal planes; and the sliced ​​high-nitrogen steel crystal structure model includes a plurality of high-nitrogen steel crystal planes; The second construction module is used to construct an aluminum-first aluminum-based solder-high nitrogen steel interface composite model based on a target aluminum unit cell crystal plane that meets the crystal plane screening conditions among the multiple aluminum unit cell crystal planes, a target aluminum-based solder crystal plane that meets the crystal plane screening conditions among the multiple aluminum-based solder crystal planes, and a target high nitrogen steel crystal plane that meets the crystal plane screening conditions among the multiple high nitrogen steel crystal planes; an adjustment module, configured to adjust the aluminum-first aluminum-based solder-high nitrogen steel interface composite model based on a plurality of second aluminum-based solder components to obtain corresponding aluminum-second aluminum-based solder-high nitrogen steel interface composite models of a plurality of second aluminum-based solder components; An evaluation module is used to evaluate the bonding performance of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model, and obtain the bonding performance evaluation results of the aluminum-first aluminum-based solder-high nitrogen steel interface composite model and the aluminum-second aluminum-based solder-high nitrogen steel interface composite model, so as to obtain the first aluminum-based solder or the second aluminum-based solder whose bonding performance evaluation results meet the preset screening conditions as the target aluminum-based solder.

10. An electronic device, characterized in that: include: A processor, a memory and a bus, wherein the memory stores machine-readable instructions executable by the processor, and when the electronic device is running, the processor and the memory communicate via the bus, and when the machine-readable instructions are executed by the processor, the steps of the method for predicting the bonding performance of the aluminum / aluminum-based solder / high nitrogen steel interface as described in any one of claims 1 to 8 are performed.

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