Calculation method and device of iron-based biphase magnetic material capable of enhancing magnetic moment

Abstract

The invention provides a calculation method and device of an iron-based biphase magnetic material capable of enhancing magnetic moment. The calculation method comprises the following steps: providing crystal structure samples of a soft magnetic material and a hard magnetic material; optimizing the crystal structure samples of the soft magnetic material and the hard magnetic material to obtain a crystal structure with lowest energy; compounding the multi-layer soft magnetic material structure layer and the multi-layer hard magnetic material structure layer to obtain an initial crystal structure of the biphase magnetic material; wherein interface pinning exchange coupling is formed between the soft magnetic material structure layer and the hard magnetic material structure layer; calculating to obtain the magnetic moment of the crystal structure of the new biphase magnetic material; and regulating the number of soft magnetic material structure layers and hard magnetic material structure layers in the initial crystal structure of the double-phase magnetic material, calculating the magnetic moment of the double-phase magnetic material again, and taking the crystal structure of the double-phase magnetic material with the maximum magnetic moment as the target crystal structure of the double-phase magnetic material.

Description

Technical Field

[0001] The present invention belongs to the field of magnetic materials, and in particular relates to a calculation method and device for an iron-based two-phase magnetic material capable of enhancing magnetic moment. Background Art

[0002] Existing magnetically controlled reactors mostly use single-phase materials (i.e., only soft or hard magnetic materials). In traditional solutions, reactance regulation typically requires mechanical tap changers or pulse-width modulation (PWM). This not only increases dynamic response delay and limits regulation speed, but also introduces a high number of harmonics, thereby reducing power quality. Furthermore, because the magnetic properties of a single material make it difficult to achieve both high-precision regulation and low loss, traditional magnetically controlled reactors also have significant deficiencies in reactive power compensation accuracy.

[0003] When using only hard magnetic materials, their high coercivity results in a slow charging and demagnetization response, limiting dynamic adjustment capabilities and making it difficult to meet the rapid regulation requirements of modern power systems. Furthermore, the coercivity of hard magnetic materials decays at high temperatures, resulting in poor temperature stability. Their charging and demagnetization characteristics are primarily limited by the width of their hysteresis loop, making it difficult to achieve continuous and rapid inductance adjustment. For example, NdFeB (neodymium iron boron), a high-performance hard magnetic material, is widely used in modern industry and electronics. While it possesses extremely high remanence, coercivity, and maximum magnetic energy product, its performance degrades significantly at high temperatures or in strong magnetic fields due to its insufficient magnetocrystalline anisotropy, limiting its application in high-precision inductance adjustment.

[0004] In contrast, when using only soft magnetic materials, while they offer fast charging and demagnetization response, their low saturation magnetization limits reactive power compensation capacity, while high hysteresis losses also become a bottleneck for their application. For example, Fe2O3 (iron oxide) is a common soft magnetic oxide with good chemical stability and moderate magnetic properties. However, its low saturation magnetization and high hysteresis losses restrict its application in high-power electromagnetic devices. A single soft magnetic material struggles to provide a high energy product and stable permeability change, limiting the compensation effectiveness of the reactor.

[0005] To overcome the limitations of single magnetic materials, dual-phase composite magnetic materials have become a research hotspot in recent years. This type of material combines hard and soft magnetic phases to form a synergistic effect, which can not only use the hard magnetic phase to provide a high anisotropy field, but also achieve rapid magnetic moment reversal through the soft magnetic phase. However, optimizing the ratio of soft magnetic phase to hard and soft phases is difficult: the ratio of soft and hard phase magnetic materials directly affects the magnetic properties of the material, and the addition of multi-element alloying elements (such as Nd / Fe / B) will lead to nonlinear changes in the magnetocrystalline anisotropy field and exchange coupling length, making the selection of element types and ratios complicated. In addition, most current research focuses on experimental preparation, while there are few theoretical design methods based on atomic intrinsic structure, making it difficult to accurately control the magnetic moment parameters, resulting in great challenges in material optimization. Summary of the Invention

[0006] The object of the present invention is to provide a calculation method for an iron-based dual-phase magnetic material capable of enhancing magnetic moment, so as to obtain a dual-phase magnetic material with a larger magnetic moment.

[0007] In a first aspect, a calculation method for an iron-based dual-phase magnetic material capable of enhancing magnetic moment is provided, comprising: Providing crystal structure samples of soft magnetic materials and hard magnetic materials; wherein the crystal structure samples include one or more layers of soft magnetic material structure layers or hard magnetic material structure layers composed of atoms; Optimize the crystal structure samples of soft magnetic materials and hard magnetic materials to obtain the crystal structure with the lowest energy; Compounding a plurality of soft magnetic material structural layers with a plurality of hard magnetic material structural layers to obtain an initial crystal structure of a dual-phase magnetic material; wherein an interface pinning exchange coupling is formed between the soft magnetic material structural layers and the hard magnetic material structural layers; The magnetic moment of the crystal structure of the new dual-phase magnetic material is calculated; The number of soft magnetic material structural layers and hard magnetic material structural layers in the initial crystal structure of the dual-phase magnetic material is regulated, and the magnetic moment of the dual-phase magnetic material is calculated again, and the crystal structure of the dual-phase magnetic material with the largest magnetic moment is used as the target crystal structure of the dual-phase magnetic material.

[0008] Optionally, the soft magnetic material includes , α-Fe, iron-silicon alloy, iron-cobalt alloy, ferrite-based material manganese-zinc ferrite, nickel-zinc ferrite, nanocrystalline material sendust, iron-cobalt-silicon.

[0009] Optionally, the hard magnetic material includes NdFeB, metal permanent magnetic material AlNiCo, FeCrCo, Any one of .

[0010] Optionally, density functional theory is used to optimize the crystal structure sample to obtain the crystal structure with the lowest energy.

[0011] Optionally, the steps of regulating the number of soft magnetic material structural layers and hard magnetic material structural layers in the initial crystal structure of the dual-phase magnetic material, recalculating the magnetic moment of the dual-phase magnetic material, and using the crystal structure of the dual-phase magnetic material with the largest magnetic moment as the target crystal structure of the dual-phase magnetic material include: The number of hard magnetic material layers in the initial crystal structure of the bidirectional magnetic material is taken as a constant, and the number of soft magnetic material layers in the biphasic magnetic material layer is taken as a variable. The number of soft magnetic material layers is controlled, and the magnitude of the magnetic moment of the crystal structure of the new bidirectional magnetic material is calculated. The number of soft magnetic material structural layers is further adjusted according to the magnitude of the magnetic moment of the crystal structure of the new bi-directional magnetic material, and the crystal structure of the bi-directional magnetic material with the largest magnetic moment under the current number of hard magnetic material structural layers is obtained, and the crystal structure of the bi-directional magnetic material with the largest magnetic moment is added to the candidate list; Controlling the number of hard magnetic material structural layers in the initial crystal structure of the bidirectional magnetic material, and calculating the magnetic moment of the new bidirectional magnetic material crystal structure; if the magnetic moment of the new bidirectional magnetic material crystal structure is greater than the magnetic moment of the initial crystal structure, again controlling the number of soft magnetic material structural layers under the current number of hard magnetic material structural layers, obtaining the crystal structure of the biphase magnetic material with the largest magnetic moment under the current number of hard magnetic material structural layers, and adding the crystal structure of the biphase magnetic material with the largest magnetic moment to the candidate list; The steps of controlling the number of hard magnetic material structural layers in the initial crystal structure of the bidirectional magnetic material and searching for the crystal structure of the bidirectional magnetic material with the largest magnetic moment under the hard magnetic material structural layer are periodically repeated until the magnetic moment of the crystal structure of the two-phase magnetic material no longer increases after controlling the number of hard magnetic material structural layers, and the crystal structure with the largest magnetic moment in the candidate list is output as the target crystal structure.

[0012] Optionally, the step of further regulating the number of soft magnetic material structural layers according to the magnitude of the magnetic moment of the crystal structure of the new bidirectional magnetic material includes: Based on the current number of hard magnetic material structural layers, the number of soft magnetic material structural layers is increased or decreased, and the magnetic moment of the crystal structure of the bidirectional magnetic material after increasing or decreasing the number of soft magnetic material structural layers is determined, and the number of soft magnetic material structural layers is regulated in the direction of increasing the magnetic moment.

[0013] Optionally, the magnetic moment of the dual-phase magnetic material is obtained by first-principles calculations.

[0014] In a second aspect, a computing device of an iron-based dual-phase magnetic material capable of enhancing magnetic moment is provided, comprising: An acquisition module is configured to provide crystal structure samples of soft magnetic materials and hard magnetic materials; wherein the crystal structure samples are unit cell structures, each unit cell structure including one or more layers of soft magnetic material structure layers or hard magnetic material structure layers composed of atoms; The optimization module is used to optimize the crystal structure samples of soft magnetic materials and hard magnetic materials to obtain the crystal structure with the lowest energy; A composite module is used to composite multiple layers of soft magnetic material structure layers with multiple layers of hard magnetic material structure layers to obtain an initial crystal structure of a dual-phase magnetic material; wherein, an interface pinning exchange coupling is formed between the soft magnetic material structure layers and the hard magnetic material structure layers; A calculation module, used to calculate the magnetic moment of the crystal structure of the new dual-phase magnetic material; The control module is used to control the number of soft magnetic material structural layers and hard magnetic material structural layers in the initial crystal structure of the two-phase magnetic material, and recalculate the magnetic moment of the two-phase magnetic material, and use the crystal structure of the two-phase magnetic material with the largest magnetic moment as the target crystal structure of the two-phase magnetic material.

[0015] According to a third aspect, an electronic device is provided, comprising a computing device made of the iron-based dual-phase magnetic material capable of enhancing magnetic moment as described above.

[0016] In a fourth aspect, a computer-readable storage medium is provided, wherein at least one program code is stored in the computer-readable storage medium, and the program code is executed by a processor to implement a calculation method for an iron-based dual-phase magnetic material capable of enhancing magnetic moment as described in any one of the above items.

[0017] The technical solution provided by the present invention has the unexpected technical effects of: The present invention provides a design method for a biphasic magnetic material. By compounding a soft magnetic material with a hard magnetic material and regulating the number of layers of the soft magnetic material and the hard magnetic material according to the magnitude of the magnetic moment, the magnetic moment of the biphasic magnetic material is continuously optimized, and ultimately a biphasic magnetic material with the optimal magnetic moment is obtained. BRIEF DESCRIPTION OF THE DRAWINGS

[0018] In order to more clearly illustrate the technical solutions in the present invention or the prior art, the following briefly introduces the drawings required for use in the embodiments or the description of the prior art. Obviously, the drawings described below are some embodiments of the present invention. For ordinary technicians in this field, other drawings can be obtained based on these drawings without paying any creative work.

[0019] Figure 1 A flow chart of a calculation method for an iron-based dual-phase magnetic material capable of enhancing magnetic moment provided by the present invention; Figure 2 and Figure 3A schematic diagram of a crystal structure sample of a soft magnetic material provided by the present invention; Figure 4 A magnetic moment diagram of a soft magnetic material provided by the present invention; Figure 5 and Figure 6 A schematic diagram of a crystal structure sample of a hard magnetic material provided by the present invention; Figure 7 A magnetic moment diagram of a hard magnetic material provided by the present invention; Figure 8 and Figure 9 A schematic diagram of a dual-phase magnetic material provided by the present invention; Figure 10 A magnetic moment diagram of a dual-phase magnetic material provided by the present invention; Figure 11 and Figure 12 A schematic diagram of another dual-phase magnetic material provided by the present invention; Figure 13 A magnetic moment diagram of another dual-phase magnetic material provided by the present invention; Figure 14 and Figure 15 A schematic diagram of another dual-phase magnetic material provided by the present invention; Figure 16 A magnetic moment diagram of another dual-phase magnetic material provided by the present invention; Figure 17 A magnetic moment data diagram of a dual-phase magnetic material and a single-phase magnetic material provided by the present invention; Figure 18 A structural frame of a computing device of an iron-based dual-phase magnetic material capable of enhancing magnetic moment provided by the present invention; Figure 19 This is a structural block diagram of an electronic device provided by the present invention.

[0020] The reference numerals are as follows: 11: Acquisition module; 12: Optimization module; 13: Compound module; 14: Calculation module; 15: Control module; 21: Processor; 22: Memory. DETAILED DESCRIPTION

[0021] To make the objectives, technical solutions, and advantages of the present invention more clear, the technical solutions of the present invention will be clearly and completely described below in conjunction with the accompanying drawings. Obviously, the embodiments described are only some embodiments of the present invention, not all embodiments. Based on the embodiments of the present invention, all other embodiments obtained by ordinary technicians in this field without making creative efforts shall fall within the scope of protection of the present invention.

[0022] The present invention optimizes the ratio of soft and hard phase elements by means of first-principles calculations, providing theoretical guidance for the design of dual-phase composite magnetic materials.

[0023] Dynamic coupling of soft and hard phase magnetic materials offers the following advantages: First, it can reduce total harmonic distortion: The dynamic adjustment capability of the soft and hard phase composite reduces harmonic generation and improves power quality. Second, it can optimize the temperature coefficient of magnetic permeability: By rationally designing the ratio of soft and hard phases, the material can maintain stable magnetic permeability at different temperatures. Third, it can enhance the remanence effect: The soft magnetic phase, under the influence of the hard magnetic phase, can increase the remanence, thereby improving the adjustment capability of the magnetically controlled reactor. Fourth, it can regulate the coercive force: Through the interaction between the soft and hard phases, the coercive force of the material can be finely controlled to meet the needs of different applications.

[0024] When the ratio of the soft and hard phases is optimized, this unique coupling mechanism allows the material to simultaneously possess the high magnetic anisotropy of the hard phase and the high saturation magnetization of the soft phase, resulting in a significant remanence enhancement effect. Therefore, dual-phase composite magnetic materials have broad application prospects in electromagnetic devices such as power transformers and reactors.

[0025] Magnetic-controlled reactors leverage the readily chargeable and demagnetized properties of dual-phase composite magnetic materials. By adjusting the residual magnetism, the inductance value is varied, achieving continuous regulation. This not only reduces reactive power losses but also effectively reduces harmonic content, optimizing system operating efficiency. In practical applications, the residual magnetism of the dual-phase composite magnetic material is adjusted through a control system to adapt the reactor's inductance to varying grid requirements. Compared to traditional mechanical tap-changer solutions, magnetic-controlled reactors enable faster reactance regulation, improving system response. Because the soft and hard phase composite materials optimize permeability variations, the regulation process is smooth, reducing harmonic distortion. By adjusting the magnetizing voltage of the dual-phase composite magnetic material in the center column, magnetic-controlled reactors precisely adjust the inductance value, optimizing line reactive power distribution and enhancing grid stability. By optimizing material properties, the reactor reduces losses during operation and improves overall energy efficiency.

[0026] When a magnetically controlled reactor operates at different remanence levels, the magnetic flux density of the controllable reactor changes with the remanence of the two-phase composite magnetic material. The greater the remanence value, the more saturated the reactor's excitation column becomes, thus achieving the desired reactance regulation. Furthermore, precise control of the magnetizing voltage of the two-phase composite magnetic material enables effective reactive power regulation, reducing reactive losses and improving power quality.

[0027] Figure 1 This is a flow chart of the calculation method of an iron-based dual-phase magnetic material that can enhance magnetic moment provided by the present invention. Figure 1 , the method steps include: S101. Provide crystal structure samples of soft magnetic materials and hard magnetic materials; wherein the crystal structure samples are unit cell structures, and the unit cell structures include one or more soft magnetic material structure layers or hard magnetic material structure layers composed of atoms.

[0028] In this embodiment, the soft magnetic material includes , α-Fe, iron-silicon alloy, iron-cobalt alloy, ferrite-based material manganese-zinc ferrite, nickel-zinc ferrite, nanocrystalline material sendust, iron-cobalt-silicon.

[0029] In this embodiment, the hard magnetic material includes NdFeB, metal permanent magnetic material AlNiCo, FeCrCo, Any one of .

[0030] See also Figure 2 and Figure 3 , is a crystal structure sample of a soft magnetic material provided by the present invention, the soft magnetic material is iron oxide (ε- ).

[0031] See also Figure 4 , Figure 4 The present invention provides an iron oxide (ε- )'s magnetic moment diagram.

[0032] The ε phase (ε- ) is a structure that lacks central symmetry, such as Figure 2 and Figure 3 , resulting in significant magnetoelectric coupling effects, piezoelectricity and ferroelectricity. Fe³⁺ forms two coordination modes in the lattice, namely four-coordinate and six-coordinate. In the four-coordinate (tetrahedral) configuration, Fe³⁺ accounts for about 25% of the total Fe³⁺, and the coordination bonds are relatively short, resulting in local high symmetry and strong ionic bond characteristics. In the six-coordinate (octahedral) configuration, Fe³⁺ accounts for about 75%, and the coordination bonds are relatively long, forming a weaker covalent bond trend. The two coordination modes are connected by co-edge / co-face oxygen atoms to form a three-dimensional magnetic moment network. The oxygen ions are arranged in a distorted cubic close-packed manner, forming two gaps of different sizes, accommodating tetrahedral and octahedral Fe³⁺, respectively. This lattice arrangement leads to enhanced internal stress and improved thermal stability of the material. Such as Figure 4 Magnetic moment analysis shows that Fe and O atoms have no obvious magnetic moments in the Z and X directions, but in the Y direction, both Fe and O atoms have magnetic moments oriented along the Y axis, among which the magnetic moment of Fe atoms is larger and the magnetic moment of O atoms is smaller. The total magnetic moment of Fe2O3 is 46.4.

[0033] See also Figure 5 and Figure 6 , is a crystal structure sample of a hard magnetic material provided by the present invention, and the hard magnetic material is NdFeB.

[0034] See also Figure 7 , which is a magnetic moment diagram of NdFeB provided by the present invention.

[0035] The main phase of NdFeB is Tetragonal structure, such as Figure 5 and Figure 6 Magnetic moment analysis shows that NdFeB has no obvious magnetic moment in the Z and X directions, such as Figure 7 , but in the Y-axis direction; Nd atoms have no magnetic moment; Fe atoms have magnetic moments along the positive direction of the Y-axis (about 85%) and the negative direction (about 15%); B atoms mainly have magnetic moments along the negative direction of the Y-axis, and the total magnetic moment of NdFeB is 35.4.

[0036] S102. Optimize the crystal structure samples of the soft magnetic material and the hard magnetic material to obtain the crystal structure with the lowest energy.

[0037] In one example, step S102 includes: Density functional theory was used to optimize the crystal structure samples and obtain the crystal structure with the lowest energy.

[0038] S103, compounding the multi-layer soft magnetic material structure layer and the multi-layer hard magnetic material structure layer to obtain the initial crystal structure of the dual-phase magnetic material; wherein, interface pinning exchange coupling is formed between the soft magnetic material structure layer and the hard magnetic material structure layer.

[0039] See also Figure 8 and Figure 9 , which is a structural diagram of the first dual-phase magnetic material provided by the present invention.

[0040] See also Figure 10 , which is the magnetic moment diagram of the first dual-phase magnetic material (dual-phase material A) provided by the present invention.

[0041] When NdFeB and After the composite, a magnetic moment pinning effect is formed at the interface between the hard magnetic phase grains and the soft magnetic phase, which enhances the remanence and magnetic energy product. This patent achieves optimal magnetic moment control by adjusting the ratio of the number of layers of the two.

[0042] like Figure 8 and Figure 9 As shown, the ratio of soft magnetic phase (number of layers): hard magnetic phase (number of layers) = 1:3 (dual-phase material A).

[0043] NdFeB grows in columnar grains, such as Figure 8 and Figure 9 , the c-axis easy magnetization axis is vertically aligned; The layer acts as an interface medium to form exchange coupling, inhibit the expansion of the reverse magnetization domain, and improve the coercive force; Figure 10,The magnetic moment analysis shows that most of the Fe and O atoms are aligned along the positive direction of the Y axis, and the final magnetic moment is 74.2.

[0044] S104. Calculate and obtain the magnetic moment of the crystal structure of the new dual-phase magnetic material.

[0045] Among them, the magnetic moment of the crystal structure of the dual-phase magnetic material can be obtained by first-principles calculation.

[0046] S105. Regulating the number of soft magnetic material structural layers and hard magnetic material structural layers in the initial crystal structure of the dual-phase magnetic material, and recalculating the magnetic moment of the dual-phase magnetic material, and taking the crystal structure of the dual-phase magnetic material with the largest magnetic moment as the target crystal structure of the dual-phase magnetic material.

[0047] In one example, step S105 includes: Step 1: Taking the number of hard magnetic material structural layers in the initial crystal structure of the bidirectional magnetic material as a constant and the number of soft magnetic material structural layers in the biphasic magnetic material layer as a variable, the number of soft magnetic material structural layers is adjusted, and the magnitude of the magnetic moment of the crystal structure of the new bidirectional magnetic material is calculated; Step 2: Continue to adjust the number of soft magnetic material structural layers according to the size of the magnetic moment of the crystal structure of the new bidirectional magnetic material, obtain the crystal structure of the biphase magnetic material with the largest magnetic moment under the current number of hard magnetic material structural layers, and add the crystal structure of the biphase magnetic material with the largest magnetic moment to the candidate list.

[0048] In one example, step 2 includes: Based on the current number of hard magnetic material structural layers, the number of soft magnetic material structural layers is increased or decreased, and the magnetic moment of the crystal structure of the bidirectional magnetic material after increasing or decreasing the number of soft magnetic material structural layers is determined, and the number of soft magnetic material structural layers is regulated in the direction of increasing the magnetic moment.

[0049] Step 3: Control the number of hard magnetic material structural layers in the initial crystal structure of the bidirectional magnetic material, and calculate the magnetic moment of the new bidirectional magnetic material crystal structure; if the magnetic moment of the new bidirectional magnetic material crystal structure is greater than that of the initial crystal structure, control the number of soft magnetic material structural layers under the current number of hard magnetic material structural layers, obtain the crystal structure of the biphase magnetic material with the largest magnetic moment under the current number of hard magnetic material structural layers, and add the crystal structure of the biphase magnetic material with the largest magnetic moment to the candidate list; Step 4: Periodically repeat the steps of controlling the number of hard magnetic material structural layers in the initial crystal structure of the bidirectional magnetic material and searching for the crystal structure of the bidirectional magnetic material with the largest magnetic moment under the hard magnetic material structural layer, until the magnetic moment of the crystal structure of the two-phase magnetic material no longer increases after controlling the number of hard magnetic material structural layers, and output the crystal structure with the largest magnetic moment in the candidate list as the target crystal structure.

[0050] See also Figure 11 and Figure 12 , which is a structural diagram of the second dual-phase magnetic material (dual-phase material B) provided by the present invention.

[0051] See also Figure 13 , is the magnetic moment diagram of the second dual-phase magnetic material (dual-phase material B) provided by the present invention.

[0052] Soft magnetic phase (number of layers): hard magnetic phase (number of layers) = 3:3 (two-phase material B).

[0053] NdFeB is no longer dominated by columnar grains, but forms a continuous layered structure, such as Figure 11 and Figure 12 ; Soft magnetic phase The layers are evenly distributed between NdFeB, promoting interlayer exchange coupling; due to the increase in the proportion of soft magnetic phase, more lattice distortion may be introduced, weakening the continuity of the hard magnetic phase; Figure 13 , magnetic moment analysis shows that the final magnetic moment is 75.1.

[0054] See also Figure 14 and Figure 15 , which is a structural diagram of the third dual-phase magnetic material (dual-phase material C) provided by the present invention.

[0055] See also Figure 16 , which is the magnetic moment diagram of the third dual-phase magnetic material (dual-phase material C) provided by the present invention.

[0056] Soft magnetic phase (number of layers): hard magnetic phase (number of layers) = 5:3 (two-phase material C).

[0057] NdFeB grains become isolated and form discontinuous island distribution, such as Figure 14 and Figure 15 ; As the layer thickness increases, the magnetic moment is mainly dominated by the soft magnetic phase; Figure 16 ,The magnetic moment analysis shows that the final magnetic moment reaches 77.9, which is the highest value.

[0058] Figure 17 This is a magnetic moment data diagram of a dual-phase magnetic material and a single-phase magnetic material provided by the present invention.

[0059] This study modulated the soft magnetic phase The ratio of the number of layers of the soft and hard phase NdFeB (variable) was used to optimize the magnetic moment. The final results show that the magnetic moment of the combination of soft and hard phases is greater than that of a single phase, such as Figure 17 Magnetic moment statistics. Figure 17 Among materials with different ratios of soft and hard phases, the optimal layer ratio is 5:3 (soft magnetic phase: hard magnetic phase), corresponding to a maximum magnetic moment of 77.9. Therefore, appropriately increasing the soft magnetic phase can optimize magnetic properties and improve remanence and coercivity.

[0060] Figure 18 This is a structural block diagram of a computing device for an iron-based dual-phase magnetic material that can enhance magnetic moment provided by the present invention. Figure 18 ,include: An acquisition module 11 is configured to provide a crystal structure sample of a soft magnetic material and a hard magnetic material; wherein the crystal structure sample is a unit cell structure, and the unit cell structure includes one or more layers of a soft magnetic material structure layer or a hard magnetic material structure layer composed of atoms; An optimization module 12 is used to optimize the crystal structure samples of the soft magnetic material and the hard magnetic material to obtain the crystal structure with the lowest energy; A composite module 13 is used to composite multiple layers of soft magnetic material structure layers with multiple layers of hard magnetic material structure layers to obtain an initial crystal structure of the dual-phase magnetic material; wherein, an interface pinning exchange coupling is formed between the soft magnetic material structure layers and the hard magnetic material structure layers; A calculation module 14 is used to calculate the magnetic moment of the crystal structure of the new dual-phase magnetic material; The control module 15 is used to control the number of soft magnetic material structural layers and hard magnetic material structural layers in the initial crystal structure of the dual-phase magnetic material, and recalculate the magnetic moment of the dual-phase magnetic material, and use the crystal structure of the dual-phase magnetic material with the largest magnetic moment as the target crystal structure of the dual-phase magnetic material.

[0061] Figure 19 This is a structural block diagram of an electronic device provided by the present invention. Figure 19 , electronic devices may include Figure 18 The computing device of the iron-based dual-phase magnetic material capable of enhancing magnetic moment. Generally, the electronic device includes: a processor 21 and a memory 22.

[0062] Processor 21 may include one or more processing cores, such as a quad-core processor or an octal-core processor. Processor 21 may be implemented in hardware using at least one of the following: a DSP (Digital Signal Processing), an FPGA (Field-Programmable Gate Array), or a PLA (Programmable Logic Array). Processor 21 may also include a main processor and a coprocessor. The main processor is used to process data in the awake state, also known as a CPU (Central Processing Unit); the coprocessor is a low-power processor used to process data in the standby state. Memory 22 may include one or more computer-readable storage media, which may be non-transitory. Memory 22 may also include high-speed random access memory and non-volatile memory, such as one or more disk storage devices or flash memory storage devices. In some embodiments, the non-transitory computer-readable storage medium in memory 22 is used to store at least one instruction, which is executed by processor 21 to implement the calculation method for iron-based dual-phase magnetic materials with enhanced magnetic moment, performed by an electronic device, provided in the method embodiments of this application.

[0063] Finally, it should be noted that the above embodiments are only used to illustrate the technical solutions of the present invention, rather than to limit it. Although the present invention has been described in detail with reference to the aforementioned embodiments, those skilled in the art should understand that they can still modify the technical solutions described in the aforementioned embodiments, or make equivalent replacements for some of the technical features therein. However, these modifications or replacements do not deviate the essence of the corresponding technical solutions from the spirit and scope of the technical solutions of the various embodiments of the present invention.

Claims

1. A calculation method for an iron-based dual-phase magnetic material capable of enhancing magnetic moment, characterized in that: include: Providing crystal structure samples of soft magnetic materials and hard magnetic materials; wherein the crystal structure samples include one or more layers of soft magnetic material structure layers or hard magnetic material structure layers composed of atoms; Optimize the crystal structure samples of soft magnetic materials and hard magnetic materials to obtain the crystal structure with the lowest energy; Compounding a plurality of soft magnetic material structural layers with a plurality of hard magnetic material structural layers to obtain an initial crystal structure of a dual-phase magnetic material; wherein an interface pinning exchange coupling is formed between the soft magnetic material structural layers and the hard magnetic material structural layers; The magnetic moment of the crystal structure of the new dual-phase magnetic material is calculated; The number of soft magnetic material structural layers and hard magnetic material structural layers in the initial crystal structure of the dual-phase magnetic material is regulated, and the magnetic moment of the dual-phase magnetic material is calculated again, and the crystal structure of the dual-phase magnetic material with the largest magnetic moment is used as the target crystal structure of the dual-phase magnetic material.

2. The calculation method of the iron-based dual-phase magnetic material capable of enhancing magnetic moment according to claim 1, characterized in that: The soft magnetic material includes , α-Fe, iron-silicon alloy, iron-cobalt alloy, ferrite-based material manganese-zinc ferrite, nickel-zinc ferrite, nanocrystalline material sendust, iron-cobalt-silicon.

3. The calculation method of the iron-based dual-phase magnetic material capable of enhancing magnetic moment according to claim 1, characterized in that: The hard magnetic materials include NdFeB, metal permanent magnetic materials AlNiCo, FeCrCo, Any one of .

4. The calculation method of the iron-based dual-phase magnetic material capable of enhancing magnetic moment according to claim 1, characterized in that: Density functional theory was used to optimize the crystal structure samples and obtain the crystal structure with the lowest energy.

5. The calculation method of the iron-based dual-phase magnetic material capable of enhancing magnetic moment according to any one of claims 1 to 4, characterized in that: The steps of regulating the number of soft magnetic material structural layers and hard magnetic material structural layers in the initial crystal structure of the dual-phase magnetic material, recalculating the magnetic moment of the dual-phase magnetic material, and using the crystal structure of the dual-phase magnetic material with the largest magnetic moment as the target crystal structure of the dual-phase magnetic material include: The number of hard magnetic material layers in the initial crystal structure of the bidirectional magnetic material is taken as a constant, and the number of soft magnetic material layers in the biphasic magnetic material layer is taken as a variable. The number of soft magnetic material layers is controlled, and the magnitude of the magnetic moment of the crystal structure of the new bidirectional magnetic material is calculated. The number of soft magnetic material structural layers is further adjusted according to the magnitude of the magnetic moment of the crystal structure of the new bi-directional magnetic material, and the crystal structure of the bi-directional magnetic material with the largest magnetic moment under the current number of hard magnetic material structural layers is obtained, and the crystal structure of the bi-directional magnetic material with the largest magnetic moment is added to the candidate list; Controlling the number of hard magnetic material structural layers in the initial crystal structure of the bidirectional magnetic material, and calculating the magnetic moment of the new bidirectional magnetic material crystal structure; if the magnetic moment of the new bidirectional magnetic material crystal structure is greater than the magnetic moment of the initial crystal structure, again controlling the number of soft magnetic material structural layers under the current number of hard magnetic material structural layers, obtaining the crystal structure of the biphase magnetic material with the largest magnetic moment under the current number of hard magnetic material structural layers, and adding the crystal structure of the biphase magnetic material with the largest magnetic moment to the candidate list; The steps of controlling the number of hard magnetic material structural layers in the initial crystal structure of the bidirectional magnetic material and searching for the crystal structure of the bidirectional magnetic material with the largest magnetic moment under the hard magnetic material structural layer are periodically repeated until the magnetic moment of the crystal structure of the two-phase magnetic material no longer increases after controlling the number of hard magnetic material structural layers, and the crystal structure with the largest magnetic moment in the candidate list is output as the target crystal structure.

6. The calculation method of the iron-based dual-phase magnetic material capable of enhancing magnetic moment according to claim 5, characterized in that: The steps of further regulating the number of soft magnetic material structural layers according to the magnitude of the magnetic moment of the crystal structure of the new bidirectional magnetic material include: Based on the current number of hard magnetic material structural layers, the number of soft magnetic material structural layers is increased or decreased, and the magnetic moment of the crystal structure of the bidirectional magnetic material after increasing or decreasing the number of soft magnetic material structural layers is determined, and the number of soft magnetic material structural layers is regulated in the direction of increasing the magnetic moment.

7. The calculation method of the iron-based dual-phase magnetic material capable of enhancing magnetic moment according to claim 5, characterized in that: The magnetic moments of the dual-phase magnetic materials were obtained by first-principles calculations.

8. A computing device of an iron-based dual-phase magnetic material capable of enhancing magnetic moment, characterized in that: include: An acquisition module is configured to provide crystal structure samples of soft magnetic materials and hard magnetic materials; wherein the crystal structure samples are unit cell structures, each unit cell structure including one or more layers of soft magnetic material structure layers or hard magnetic material structure layers composed of atoms; The optimization module is used to optimize the crystal structure samples of soft magnetic materials and hard magnetic materials to obtain the crystal structure with the lowest energy; A composite module is used to composite multiple layers of soft magnetic material structure layers with multiple layers of hard magnetic material structure layers to obtain an initial crystal structure of a dual-phase magnetic material; wherein, an interface pinning exchange coupling is formed between the soft magnetic material structure layers and the hard magnetic material structure layers; A calculation module, used to calculate the magnetic moment of the crystal structure of the new dual-phase magnetic material; The control module is used to control the number of soft magnetic material structural layers and hard magnetic material structural layers in the initial crystal structure of the two-phase magnetic material, and recalculate the magnetic moment of the two-phase magnetic material, and use the crystal structure of the two-phase magnetic material with the largest magnetic moment as the target crystal structure of the two-phase magnetic material.

9. An electronic device, characterized in that: The electronic device includes a computing device comprising the iron-based dual-phase magnetic material capable of enhancing magnetic moment according to claim 8 .

10. A computer-readable storage medium, characterized in that At least one program code is stored in the computer-readable storage medium, and the program code is executed by a processor to implement the calculation method of the iron-based dual-phase magnetic material capable of enhancing magnetic moment according to any one of claims 1 to 7.

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