A phase field-micromagnetics coupling simulation method, system, device and storage medium
Through the phase field-micromagnetic coupling simulation method, the full-chain relationship between magnetic material composition-preparation process-microstructure-magnetic properties is established, and the problem of being unable to comprehensively and systematically study material related problems in the existing technology is solved, and systematic material research and comprehensive design are realized.
Patent Information
- Application Number
- CN202210799412.0
- Authority / Receiving Office
- CN · China
- Patent Type
- Patents(China)
- Current Assignee / Owner
- Filing Date
- 2022-07-08
- Publication Date
- 2025-05-27
- Estimated Expiration
- 2042-07-08
AI Technical Summary
It is difficult to establish a full-chain relationship between magnetic material components - preparation process - microstructure - magnetic properties, and it is impossible to comprehensively and systematically study material-related problems.
Through the phase field-micromagnetic coupling simulation method, a phase field model is established and thermodynamic and dynamic data is collected, the total free energy of the system of the multivariate multiphase system is described, the field variable is determined and the dynamic equation is established, discrete iterative solution is solved to output the microstructure evolution process, and a micromagnetic simulation model is established based on the phase field simulation results, and the magnetic performance curve chart under a specific microstructure is coupled.
A comprehensive and systematic study of material-related issues has been achieved, and the entire chain of relationships between magnetic material components - preparation process - microstructure - magnetic properties has been established, providing a powerful tool to guide experiments.
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Figure CN115358043B_ABST
Abstract
Description
Technical Field
[0001] The present invention relates to the fields of phase field method and micromagnetic simulation, and particularly to a phase field-micromagnetic coupling simulation method, system, device and storage medium. Background Art
[0002] The traditional methods for studying materials mainly improve the properties of materials through repetitive experimental exploration. However, its R & D cycle is long and the cost is high. With the increase in the complexity of material composition, microstructure, etc., how to effectively improve the properties of materials by means of high efficiency and low cost is a huge challenge faced by material researchers. With the development of computational materials science, the use of simulation methods has the characteristics of high efficiency, low cost and the ability to deeply study the material mechanism compared with typical repetitive experimental exploration, and has become one of the new directions in the field of material research.
[0003] Among many material computational simulation methods, phase field simulation has the advantages of not needing to track complex interfaces and being able to combine the database of relevant alloy systems, and is an effective method for studying the evolution process of material microstructure and its internal mechanism; micromagnetic simulation can quickly and intuitively reflect the changes of magnetic domains during the magnetization reversal process, and can simulate the corresponding magnetic properties through specific microstructures, and is an effective bridge connecting material microstructure and macroscopic magnetic properties. Phase field simulation and micromagnetic simulation are widely favored by researchers due to their respective characteristics and advantages, and have been widely used in the field of magnetic materials.
[0004] However, in the current research on magnetic materials, researchers only use the phase field simulation method alone to study the influence of different compositions or different processes on the evolution of material microstructure and its internal laws and mechanisms, or only use the micromagnetic simulation method alone to study the influence of different microstructures on magnetic properties, and a single simulation method cannot establish the full chain relationship among the composition-preparation process-microstructure-magnetic properties of magnetic materials. Summary of the Invention
[0005] To at least to some extent solve one of the technical problems existing in the prior art, an object of the present invention is to provide a phase field-micromagnetic coupling simulation method, system, device and storage medium.
[0006] The technical solution adopted by the present invention is as follows:
[0007] A phase field-micromagnetic coupling simulation method includes the following steps:
[0008] Establish a phase field model according to the research system, collect the corresponding thermodynamic and kinetic data of the phase field model, and describe the total free energy of the system of the multi-component and multi-phase system;
[0009] Determine the field variables in the multi-component and multi-phase system, and establish the kinetic equation of multi-field variables-multi-phase field;
[0010] Discretely iterate and solve the phase-field dynamics equation, and output the evolution process and results of the microstructure of the multi-component and multi-phase magnetic material;
[0011] Based on the phase-field simulation results, establish a micromagnetic simulation model, couple the phase-field simulation results to output the magnetic property curve diagram under a specific microstructure, and establish the full chain relationship among the composition - preparation process - microstructure - magnetic properties of the magnetic material.
[0012] Furthermore, the total system free energy of the multi-component and multi-phase system is described as follows:
[0013]
[0014] where f is the free energy density function of the system, and η is the field variable describing the multi-component and multi-phase, ε i,j is the gradient energy coefficient of the field variable and β is the gradient energy coefficient of η, and V is the volume of the simulation system;
[0015] The expression of the system free energy density function f is as follows:
[0016]
[0017] where f i is the local free energy function of each i-phase, ω ij and η are the double-well functions of the field variables and η respectively, and W ex is the coupling parameter between the field variables and η; is the system free energy density function;
[0018] In the system free energy density function the expression is as follows:
[0019]
[0020] The expression of the coupling parameter W ex between the liquid phase and the amorphous phase is as follows:
[0021]
[0022] where w ex is a positive coupling coefficient.
[0023] Furthermore, the establishment of the dynamic equation of the multi-field variable - multi-component phase field is as follows:
[0024]
[0025]
[0026]
[0027] Among them, L ij 、L η 、M j are respectively the kinetic parameters of the structure field variable η and the solute field variable c j ζ 1 and ζ 2 are respectively the external perturbation factors of the field variables and η, and F is the total system free energy of the multi-component and multi-phase system.
[0028] Furthermore, discretely iteratively solving the phase-field kinetic equation and outputting the evolution process and results of the microstructure of the multi-component and multi-phase magnetic material includes:
[0029] First, write a program to discretely iteratively solve the phase-field kinetic equation, perform visualization processing on the solution results, so as to obtain the evolution process of the microstructure of the multi-component and multi-phase magnetic material at each moment, and export the microstructure evolution results at a specific moment according to requirements.
[0030] Furthermore, establishing a micromagnetics simulation model based on the phase-field simulation results includes:
[0031] Based on the phase-field method, simulate the microstructure evolution results of alloys with different compositions under different preparation process parameters, process the microstructure diagrams in the simulation results, and establish a micromagnetics simulation model.
[0032] Furthermore, processing the microstructure diagrams in the simulation results and establishing a micromagnetics simulation model includes:
[0033] Use specific hexadecimal color codes to fill and distinguish different phases and different orientation grains in the same phase in the obtained microstructure diagrams;
[0034] Define the processed microstructure image file through Oxs_ImageAtlas in the open-source micromagnetics simulation software OOMMF, so as to couple with the phase-field simulation results to establish a micromagnetics simulation model.
[0035] Furthermore, coupling the phase-field simulation results to output the magnetic property curve diagram under a specific microstructure, and establishing a full chain of relationships among the composition - preparation process - microstructure - magnetic properties of the magnetic material includes:
[0036] According to the phase-field simulation results, couple the relevant parameters in the micromagnetics simulation model;
[0037] According to the principle of energy minimization, the magnetic property curve diagram under the microstructure is simulated and calculated, and finally the full chain of the relationship among the composition, preparation process, microstructure and magnetic properties of the magnetic material is established.
[0038] Another technical solution adopted by the present invention is:
[0039] A phase field-micromagnetics coupling simulation system, comprising:
[0040] A phase field model determination module, configured to establish a phase field model according to the research system, collect the corresponding thermodynamic and kinetic data of the phase field model, and describe the total free energy of the system of the multi-component and multi-phase system;
[0041] A kinetic equation construction module, configured to determine the field variables in the multi-component and multi-phase system and establish a kinetic equation of multi-field variables-multi-phase fields;
[0042] A kinetic equation calculation module, configured to perform discrete iterative solution on the phase field kinetic equation and output the evolution process and results of the microstructure of the multi-component and multi-phase magnetic material;
[0043] A model coupling module, configured to establish a micromagnetics simulation model based on the phase field simulation results, couple the phase field simulation results to output the magnetic property curve diagram under a specific microstructure, and establish the full chain of the relationship among the composition, preparation process, microstructure and magnetic properties of the magnetic material.
[0044] Another technical solution adopted by the present invention is:
[0045] A phase field-micromagnetics coupling simulation device, comprising:
[0046] At least one processor;
[0047] At least one memory, configured to store at least one program;
[0048] When the at least one program is executed by the at least one processor, the at least one processor implements the above-mentioned method.
[0049] Another technical solution adopted by the present invention is:
[0050] A computer-readable storage medium, in which a processor-executable program is stored, and the processor-executable program is used to execute the above-mentioned method when executed by a processor.
[0051] The beneficial effects of the present invention are: The present invention couples and simulates two cross-scale calculation methods of phase field simulation and micromagnetics simulation, can comprehensively and systematically study material-related problems, can be used as a powerful tool for guiding experiments, and reflects the advantages of the phase field-micromagnetics coupling simulation method. Description of the Drawings
[0052] To more clearly illustrate the embodiments of the present invention or the technical solutions in the prior art, the following introduces the accompanying drawings of the relevant technical solutions in the embodiments of the present invention or the prior art. It should be understood that the accompanying drawings in the following introduction are only for conveniently and clearly presenting some embodiments of the technical solutions of the present invention. For those skilled in the art, without creative efforts, other drawings can also be obtained based on these drawings.
[0053] Figure 1 In the embodiment of the present invention, the alloy composition is Nd 16 Fe 76 B 8 The rapid solidification microstructure diagram at t = 8×10 -2 s;
[0054] Figure 2 In the embodiment of the present invention, the alloy composition for micromagnetic simulation is Nd 16 Fe 76 B 8 The magnetization curve obtained from the solidified structure;
[0055] Figure 3 It is the flowchart of the steps of a phase field - micromagnetics coupling simulation method for studying the microstructure and magnetic properties of multi - component and multi - phase magnetic materials in the embodiment of the present invention. Detailed Embodiments
[0056] The following details the embodiments of the present invention. The examples of the embodiments are shown in the accompanying drawings, where the same or similar reference numerals represent the same or similar elements or elements with the same or similar functions throughout. The embodiments described by referring to the accompanying drawings are exemplary and are only used to explain the present invention, and should not be construed as a limitation of the present invention. For the step numbers in the following embodiments, they are only set for the convenience of elaboration and explanation, and no limitation is imposed on the order between the steps. The execution order of each step in the embodiments can be adaptively adjusted according to the understanding of those skilled in the art.
[0057] In the description of the present invention, it should be understood that for the orientation description, such as the orientation or position relationship indicated by up, down, front, back, left, right, etc. is based on the orientation or position relationship shown in the accompanying drawings. It is only for the convenience of describing the present invention and simplifying the description, rather than indicating or implying that the device or element referred to must have a specific orientation, be constructed and operated in a specific orientation, and therefore should not be construed as a limitation of the present invention.
[0058] In the description of the present invention, "several" means one or more, "multiple" means more than two, and understandings such as "greater than", "less than", "exceeding", etc. do not include the corresponding number, while understandings such as "above", "below", "within", etc. include the corresponding number. If there is a description of "first" and "second", it is only for the purpose of distinguishing technical features and cannot be understood as indicating or implying relative importance or implicitly indicating the quantity of the indicated technical features or implicitly indicating the sequence relationship of the indicated technical features.
[0059] In the description of the present invention, unless otherwise clearly defined, terms such as "set", "install", "connect", etc. should be understood in a broad sense, and those skilled in the art can reasonably determine the specific meanings of the above terms in the present invention in combination with the specific content of the technical solution.
[0060] As Figure 3 shown, this embodiment provides a phase-field - micromagnetics coupled simulation method for studying the microstructure and magnetic properties of multi-component and multi-phase magnetic materials. This method couples and simulates two cross-scale calculation methods, namely phase-field simulation and micromagnetics simulation, and can comprehensively and systematically study material-related problems. The method specifically includes the following steps:
[0061] S1. Establish a phase-field model according to the research system, collect the corresponding thermodynamic and kinetic data of the phase-field model, and describe the total free energy of the multi-component and multi-phase system.
[0062] In this embodiment, the phase-field - micromagnetics coupled simulation method is applied to the Nd-Fe-B alloy system. Using this method, first, the phase-field simulation of the reactions of the T 1 phase (Nd 2 Fe 14 B 1 ), the T 2 phase (Nd 1+ε Fe 4 B 4 ) and the amorphous phase during the rapid solidification process of the neodymium iron boron alloy is carried out, and then the micromagnetics coupled simulation is carried out based on the phase-field simulation results.
[0063] Specifically, step S1 specifically includes:
[0064] First, confirm that the research system is a Nd-Fe-B multi-component and multi-phase system, collect the thermodynamic and kinetic data of the alloy with the composition of Nd 16 Fe 76 B 8 , and the simulation parameters are shown in Table 1. The chemical free energy expressions of each phase in the research system can be expressed as follows:
[0065] First, the Gibbs free energy expression of the liquid phase can be represented by the thermodynamic model of the regular melt:
[0066]
[0067]
[0068] wherein, c i is the concentration of element i, is the molar Gibbs energy of pure element i in the liquid phase, R is the gas constant, ex G L is the excess Gibbs energy, and are the interaction coefficients between elements Nd and Fe, Fe and B, and Nd and B in the liquid phase, respectively, is the ternary interaction coefficient between elements Nd, Fe, and B in the liquid phase.
[0069] The expression for the Gibbs free energy of the amorphous phase is as follows:
[0070] Δf L→Am (c,T) = -RTln(1 + α)f(τ)
[0071] f(τ) = 1 - 9.9167285×10 -1 τ -1 - 1.11737779×10 -1 τ -3 - 4.96612349×10 -3 τ 9 - 1.11737779×10 -3 τ 15 (τ ≤ 1)
[0072] f(τ) = - 1.05443689×10 -1 τ -5 - 3.34741816×10 -3 τ -15 - 7.02957924×10 -4 τ -25 (τ > 1)
[0073] wherein, α is a constant factor for the stabilization of the amorphous phase through the transformation of the liquid phase into the amorphous phase, τ = T / T g , T g is the glass forming temperature.
[0074] T 1 phase and T 2 phase Gibbs free energy expressions are as follows:
[0075]
[0076] where the coefficients A + B + C = 1 and are respectively related to the molar volumes of the corresponding elements, T1 D in the figure 3 = -12558 and E 3 = 2.633, T 2 D in the figure 3 = -45372 and E 3 = 7.233, and are the Gibbs free energies of elements Nd, Fe, and B in their standard states, respectively.
[0077] Table 1
[0078]
[0079]
[0080] S2. Determine the field variables in the multi-component and multi-phase system and establish the dynamic equations of multi-field variables - multi-phase fields.
[0081] In this embodiment, three field variables c j , and η are introduced into the research system. Among them, the concentration field variable c j (j = 1 to 3) describes the concentration distributions of elements Nd, Fe, and B; the structure field variables and η (representing the structural changes of the liquid phase and the amorphous phase) jointly describe the liquid phase (η = 0, ), the amorphous phase (η = 1, ), T 1 phase (η = 0, ) and T 2 phase (η = 0, ), and the phase field dynamic equation of this model is established as follows:
[0082]
[0083]
[0084]
[0085] where M j , L ij and L η are the mobilities of the concentration field c j , the structure field and η respectively, and F is the total free energy of the system.
[0086] The total free energy of the system is expressed as:
[0087]
[0088] S3. Discretely iterate and solve the phase-field dynamics equation, and output the evolution process and results of the microstructure of the multi-component and multi-phase magnetic material.
[0089] Write a program to discretely iterate and solve the phase-field dynamics equation to obtain an alloy with a composition of Nd 16 Fe 76 B 8 The T 1 phase, T 2 phase, and the evolution process of the amorphous phase in the microstructure, and derive the microstructure diagram after rapid solidification.
[0090] S4. Based on the phase-field simulation results, establish a micromagnetics simulation model, couple the phase-field simulation results to output the magnetic property curve diagram under a specific microstructure, and establish a full chain of relationships among the composition, preparation process, microstructure, and magnetic properties of the magnetic material.
[0091] Based on an alloy with a composition of Nd 16 Fe 76 B 8 The microstructure diagram after rapid solidification obtained from the phase-field simulation. After specific processing, a general micromagnetics simulation model is established. The magnetic property curve diagram under the solidified microstructure is output by coupling the relevant results of the phase-field simulation. Finally, a full chain of relationships among the composition, preparation process, microstructure, and magnetic properties of the magnetic material is established. The specific processing mainly includes filling different specific hexadecimal color codes for different phases (including the T 1 phase, T 2 phase, and amorphous phase) and different oriented grains in the same phase to distinguish them; the processed microstructure image file is defined through Oxs_ImageAtlas in the open-source micromagnetics simulation program OOMMF, so as to couple with the processed phase-field simulation results to establish a general micromagnetics simulation model. The relevant parameters in the micromagnetics simulation, such as the easy-axis direction of each phase, can also be coupled according to the phase-field simulation results. Other relevant micromagnetics simulation parameters used in the NdFeB system are shown in Table 2. Finally, according to the principle of energy minimization, the magnetic property curve diagram under a specific microstructure is calculated, and a full chain of relationships among the composition, preparation process, microstructure, and magnetic properties of the magnetic material is established.
[0092] Table 2
[0093]
[0094] Figure 1 For an alloy with a composition of Nd 16 Fe 76 B 8 The rapid solidification microstructure diagram at t = 8×10 -2 s. By Figure 1It can be seen that due to the rapid solidification process adopted in the simulation, there is a large difference in the degree of supercooling between the outer layer (the rightmost end of the microstructure diagram) and the core (the leftmost end of the microstructure diagram) of the magnet, resulting in uneven distribution of the internal microstructure of the magnet, showing characteristic distribution in local areas. For example, due to the largest degree of supercooling, an amorphous phase and some nanocrystals appear in the outer layer of the magnet, and coarser grains are distributed in the core of the magnet due to the lowest degree of supercooling.
[0095] Figure 2 The composition of the alloy for micromagnetic simulation is Nd 16 Fe 76 B 8 The magnetization curve obtained from the solidified microstructure. Figure 2 The magnetic property curve in the middle is obtained from the coupled phase-field simulation results. It can be seen from Figure 2 that the alloy composition is Nd 16 Fe 76 B 8 The coercivity μ 0 H corresponding to the solidified microstructure is 2.984 T, and the remanence M r is 312.59 kA / m, and the maximum magnetic energy product (BH) max is 302.96 kJ / m 3 .
[0096] In summary, compared with the prior art, the method of this embodiment has the following advantages and beneficial effects:
[0097] (1) By means of phase-field simulation, the method of this embodiment obtains the microstructure diagram of specific magnetic material composition and preparation process, and couples the results to establish a general model of micromagnetic simulation, thereby establishing a complete chain of the relationship between magnetic material composition - preparation process - microstructure - magnetic properties, making up for the limitation that the existing simulation methods can only study the microstructure or magnetic properties singly, and providing a powerful tool for the systematic research and comprehensive design of magnetic materials.
[0098] (2) The phase-field - micromagnetic coupling simulation method proposed in this application has universality and can be coupled with the corresponding thermodynamic and kinetic databases and applied to the research of the relationship between composition - preparation process - microstructure - magnetic properties of various multi-component and multi-phase magnetic materials.
[0099] This embodiment also provides a phase-field - micromagnetic coupling simulation system, including:
[0100] A phase-field model determination module, used to establish a phase-field model according to the research system, collect the corresponding thermodynamic and kinetic data of the phase-field model, and describe the total free energy of the multi-component and multi-phase system;
[0101] A kinetic equation construction module, used to determine the field variables in the multi-component and multi-phase system and establish a kinetic equation of multi-field variables - multi-phase fields;
[0102] A kinetic equation calculation module for discretely iteratively solving the phase-field kinetic equation and outputting the evolution process and results of the microstructure of a multi-component and multi-phase magnetic material;
[0103] A model coupling module for establishing a micromagnetic simulation model based on the phase-field simulation results, coupling the phase-field simulation results to output a magnetic property curve graph under a specific microstructure, and establishing a full chain relationship among the composition, preparation process, microstructure, and magnetic properties of the magnetic material.
[0104] A phase-field - micromagnetics coupled simulation system according to this embodiment can execute a phase-field - micromagnetics coupled simulation method provided by an embodiment of the present invention, can execute any combination of implementation steps of the method embodiment, and has the corresponding functions and beneficial effects of the method.
[0105] This embodiment also provides a phase-field - micromagnetics coupled simulation device, including:
[0106] At least one processor;
[0107] At least one memory for storing at least one program;
[0108] When the at least one program is executed by the at least one processor, the at least one processor is caused to implement Figure 3 The method shown.
[0109] A phase-field - micromagnetics coupled simulation device according to this embodiment can execute a phase-field - micromagnetics coupled simulation method provided by an embodiment of the present invention, can execute any combination of implementation steps of the method embodiment, and has the corresponding functions and beneficial effects of the method.
[0110] This application embodiment also discloses a computer program product or a computer program. The computer program product or the computer program includes computer instructions, and the computer instructions are stored in a computer-readable storage medium. The processor of the computer device can read the computer instructions from the computer-readable storage medium, and the processor executes the computer instructions, causing the computer device to execute Figure 3 The method shown.
[0111] This embodiment also provides a storage medium storing instructions or a program that can execute a phase-field - micromagnetics coupled simulation method provided by an embodiment of the present invention. When the instructions or the program are run, any combination of implementation steps of the method embodiment can be executed, and the corresponding functions and beneficial effects of the method are possessed.
[0112] In some alternative embodiments, the functions / operations recited in the block diagrams may not occur in the order presented in the operational illustrations. For example, depending on the functions / operations involved, two blocks shown in succession may actually be executed substantially simultaneously or the blocks may sometimes be executed in reverse order. Further, the embodiments presented and described in the flowcharts of the present invention are provided by way of example in order to provide a more thorough understanding of the technology. The disclosed methods are not limited to the operations and logical flows presented herein. Alternative embodiments are envisioned in which the order of various operations is altered and in which sub-operations described as part of a larger operation are performed independently.
[0113] In addition, although the present invention has been described in the context of functional modules, it should be understood that, unless otherwise stated to the contrary, one or more of the functions and / or features described may be integrated in a single physical device and / or software module, or one or more functions and / or features may be implemented in separate physical devices or software modules. It should also be understood that a detailed discussion of the actual implementation of each module is not necessary for an understanding of the present invention. Rather, given the attributes, functions, and internal relationships of the various functional modules in the devices disclosed herein, the actual implementation of the modules will be understood within the ordinary skill of an engineer. Thus, those skilled in the art can implement the present invention as set forth in the claims without undue experimentation. It should also be understood that the specific concepts disclosed are illustrative only and are not intended to limit the scope of the present invention, which is determined by the full scope of the appended claims and their equivalents.
[0114] If the functions are implemented in the form of software functional units and sold or used as independent products, they may be stored in a computer-readable storage medium. Based on such understanding, the technical solution of the present invention, in essence, or the part that contributes to the prior art or a part of this technical solution, may be embodied in the form of a software product stored in a storage medium, including several instructions for causing a computer device (which may be a personal computer, a server, or a network device, etc.) to execute all or part of the steps of the methods described in the various embodiments of the present invention. The foregoing storage medium includes: various media that can store program codes, such as USB flash drives, mobile hard disks, read-only memories (ROMs), random access memories (RAMs), magnetic disks, or optical discs.
[0115] The logic and / or steps represented in the flowchart or otherwise described herein, for example, can be considered as a definitional sequence list of executable instructions for implementing logical functions, and can be specifically implemented in any computer-readable medium for use by an instruction execution system, apparatus, or device (such as a computer-based system, a system including a processor, or other systems that can fetch and execute instructions from the instruction execution system, apparatus, or device), or used in conjunction with these instruction execution systems, apparatus, or devices. For the purposes of this specification, a "computer-readable medium" can be any device that can contain, store, communicate, propagate, or transport a program for use by or in conjunction with an instruction execution system, apparatus, or device.
[0116] More specific examples (a non-exhaustive list) of computer-readable media include the following: an electrical connection part (electronic device) having one or more wirings, a portable computer diskette (magnetic device), a random access memory (RAM), a read-only memory (ROM), an erasable programmable read-only memory (EPROM or flash memory), an optical fiber device, and a portable compact disc read-only memory (CDROM). Additionally, the computer-readable medium can even be paper or other suitable media on which the program can be printed, because the program can be obtained electronically, for example, by optically scanning the paper or other media, followed by editing, interpretation, or otherwise processing as appropriate, and then stored in a computer memory.
[0117] It should be understood that various parts of the present invention can be implemented by hardware, software, firmware, or a combination thereof. In the above-described embodiments, multiple steps or methods can be implemented by software or firmware stored in a memory and executed by a suitable instruction execution system. For example, if implemented in hardware, as in another embodiment, any one or a combination of the following techniques well known in the art can be used: discrete logic circuits having logic gate circuits for implementing logical functions on data signals, application specific integrated circuits having appropriate combinational logic gate circuits, programmable gate arrays (PGAs), field programmable gate arrays (FPGAs), and the like.
[0118] In the foregoing description of this specification, the descriptions referring to the terms "one embodiment / example", "another embodiment / example", or "certain embodiments / examples", etc. mean that the specific features, structures, materials, or characteristics described in connection with the embodiment or example are included in at least one embodiment or example of the present invention. In this specification, the schematic representations of the above terms do not necessarily refer to the same embodiment or example. Moreover, the specific features, structures, materials, or characteristics described can be combined in any one or more embodiments or examples in a suitable manner.
[0119] Although embodiments of the present invention have been shown and described, those of ordinary skill in the art can understand that various changes, modifications, substitutions, and variations can be made to these embodiments without departing from the principles and spirit of the present invention. The scope of the present invention is defined by the claims and their equivalents.
[0120] The above is a specific description of the preferred embodiments of the present invention. However, the present invention is not limited to the above embodiments. Those skilled in the art can make various equivalent deformations or substitutions without departing from the spirit of the present invention. These equivalent deformations or substitutions are all included within the scope defined by the claims of this application.
Claims
1. A phase-field - micromagnetics coupling simulation method, characterized in that, it includes the following steps: Establish a phase-field model according to the research system to describe the total free energy of the multi-component and multi-phase system; Determine the field variables in the multi-component and multi-phase system and establish the kinetic equations of multi-field variables - multi-component phase fields; Discretely iteratively solve the phase-field kinetic equations and output the evolution process and results of the microstructure of the multi-component and multi-phase magnetic materials; Based on the phase-field simulation results, establish a micromagnetics simulation model, couple the phase-field simulation results to output the magnetic property curve diagram under specific microstructures, and establish the full chain of relationships among the composition - preparation process - microstructure - magnetic properties of magnetic materials; The discretely iterative solution of the phase-field kinetic equations to output the evolution process and results of the microstructure of the multi-component and multi-phase magnetic materials includes: First, write a program to discretely iteratively solve the phase-field kinetic equations, perform visualization processing on the solution results, so as to obtain the evolution process of the microstructure of the multi-component and multi-phase magnetic materials at each moment, and export the microstructure evolution results at specific moments according to requirements; The establishment of the micromagnetics simulation model based on the phase-field simulation results includes: Based on the phase-field method, simulate the microstructure evolution results of alloys with different compositions under different preparation process parameters, process the microstructure diagrams in the simulation results, and establish a micromagnetics simulation model; The processing of the microstructure diagrams in the simulation results to establish a micromagnetics simulation model includes: Use specific hexadecimal color codes to fill and distinguish different phases and different orientation grains in the same phase in the obtained microstructure diagrams; Define the processed microstructure image files through Oxs_ImageAtlas in the open-source micromagnetics simulation software OOMMF, so as to couple with the phase-field simulation results to establish a micromagnetics simulation model; The coupling of the phase-field simulation results to output the magnetic property curve diagram under specific microstructures and establish the full chain of relationships among the composition - preparation process - microstructure - magnetic properties of magnetic materials includes: According to the phase-field simulation results, couple the relevant parameters in the micromagnetics simulation model; According to the principle of minimum energy, simulate and calculate the magnetic property curve diagram under the microstructure, and finally establish the full chain of relationships among the composition - preparation process - microstructure - magnetic properties of magnetic materials.
2. A phase-field - micromagnetics coupling simulation method according to claim 1, characterized in that, the description of the total free energy of the multi-component and multi-phase system is as follows: where f is the free energy density function of the system, and η is the field variable describing multiple components and multiple phases, ε i,j is the field variable and is the gradient energy coefficient of, β is the gradient energy coefficient of η, and V is the volume of the simulation system; The expression of the free energy density function f of the system is as follows: where, f i is the local free energy function of each i-phase, ω ij and ω η are the double-well functions of the field variables and η respectively, and W ex is the coupling parameter between the field variables and η; is the free energy density function of the system.
3. A phase-field - micromagnetics coupling simulation method according to claim 2, characterized in that, the establishment of the kinetic equations of multi-field variables - multi-component phase fields is specifically as follows: Among them, L ij , L η , M j are the kinetic parameters of the structural field variable η and the solute field variable c j respectively, ζ 1 and ζ 2 are the external perturbation factors of the field variables and η respectively, and F is the total free energy of the system.
4. A phase-field - micromagnetics coupling simulation system applied to the method described in any one of claims 1 - 3, characterized in that, it includes: A phase-field model determination module for establishing a phase-field model according to the research system to describe the total free energy of the multi-component and multi-phase system; A kinetic equation construction module for determining the field variables in the multi-component and multi-phase system and establishing the kinetic equations of multi-field variables - multi-component phase fields; A kinetic equation calculation module, which is used to discretely iterate and solve the phase-field kinetic equation, and output the evolution process and results of the microstructure of the multi-component and multi-phase magnetic material; A model coupling module, which is used to establish a micromagnetic simulation model based on the phase-field simulation results, couple the phase-field simulation results to output a magnetic property curve graph under a specific microstructure, and establish a full chain of relationships among the composition, preparation process, microstructure, and magnetic properties of the magnetic material.
5. A phase-field-micromagnetics coupled simulation device, characterized in that, it includes: at least one processor; at least one memory for storing at least one program; when the at least one program is executed by the at least one processor, the at least one processor implements the method according to any one of claims 1-3.
6. A computer-readable storage medium, in which a program executable by a processor is stored, characterized in that, the program executable by the processor is used to execute the method according to any one of claims 1-3 when executed by the processor.
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