CN112580224B - Computer aided design method for Nd-Fe-B permanent magnet alloy synthesis process - Google Patents
Computer aided design method for Nd-Fe-B permanent magnet alloy synthesis process Download PDFInfo
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- CN112580224B CN112580224B CN202011590968.6A CN202011590968A CN112580224B CN 112580224 B CN112580224 B CN 112580224B CN 202011590968 A CN202011590968 A CN 202011590968A CN 112580224 B CN112580224 B CN 112580224B
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Abstract
The invention discloses an Nd-a computer aided design method for a Fe-B permanent magnet alloy synthesis process by building a phase diagram thermodynamic/diffusion kinetics database of Nd-Fe-B alloys; simulating the interdependence relation between the permanent magnetic alloy solidification path and the cooling speed; calculation of Nd formation during alloy solidification 2 Fe 14 The content values of the B phase, the Fcc-Fe phase and the liquid phase; and predicting Nd 2 Fe 14 B, optimal cooling speed of the permanent magnetic alloy; finally, the predicted Nd is verified through experiments 2 Fe 14 B, the cooling speed of the permanent magnetic alloy is the optimal cooling speed; and taking the Nd as a process condition to guide Nd 2 Fe 14 B alloy is produced. The method can improve the alloy design efficiency, meet the alloy performance and structure requirements, greatly reduce the research and development period and cost of novel alloy design, and has important guiding value on the design and production of novel high-performance permanent magnet materials.
Description
Technical Field
The invention relates to the technical field of computer aided design, in particular to a computer aided design method for an Nd-Fe-B permanent magnet alloy synthesis process.
Background
Since the 80 s in the 20 th century, Nd-Fe-B permanent magnets were discovered and widely used in the fields of motors, hybrid vehicles, wind generators and the like due to their excellent comprehensive magnetic properties. There are two main preparation methods for Nd-Fe-B permanent magnets: and (4) performing rapid quenching and sintering. Both for obtaining grain-refined Nd 2 Fe 14 And (4) phase B. According to the equilibrium phase diagram of the Nd-Fe-B ternary system, Nd 2 Fe 14 Phase B is formed by peritectic reaction at 1155 ℃. Therefore, in order to obtain Nd of high purity 2 Fe 14 The B phase requires a high cooling rate to suppress the formation of the Fcc-Fe phase (conversion to the Bcc-Fe phase at about 911 ℃ C.), but Nd 2 Fe 14 The optimal cooling rate for B alloys is difficult to optimize by a single experiment. With the development of computer-aided material design, Nd is determined efficiently and optimally 2 Fe 14 The cooling speed of the B permanent magnetic alloy becomes possible. Therefore, the present application is based on the phase diagram thermodynamics and DIffusion kinetics database for constructing alloy systems, using the DICTRA software package (DIffusion-Controlled)Transitions) can clearly predict Nd 2 Fe 14 The solidification path of the B alloy under different cooling speeds and the type and content of a generated phase in the rapid solidification process of the B alloy can be effectively predicted, so that the Nd can be effectively predicted 2 Fe 14 Optimal cooling speed of the B permanent magnetic alloy.
As Nd-Fe-B is one of the most important permanent magnetic materials, the Nd-Fe-B is selected as a research object, and the adopted computer-aided material high-efficiency design method has important guiding significance for the design and production of novel high-performance permanent magnetic materials.
Disclosure of Invention
The invention aims to overcome the defects of the prior art and provides a computer aided design method for an Nd-Fe-B permanent magnet alloy synthesis process.
The technical scheme for realizing the purpose of the invention is as follows:
a computer aided design method for an Nd-Fe-B permanent magnetic alloy synthesis process comprises the following steps:
1) establishing a phase diagram thermodynamics/diffusion kinetics database of the Nd-Fe-B alloy: establishing an Nd-Fe-B alloy thermodynamics/dynamics database on the basis of the existing literature;
2) simulating the interdependence relation of the solidification path and the cooling speed of the permanent magnetic alloy: using a computer to simulate and couple a phase diagram thermodynamic database and a diffusion dynamics database in the step 1) to obtain Nd 2 Fe 14 The mutual dependence relationship between the solidification path and the cooling speed of the B permanent magnetic alloy to construct Nd 2 Fe 14 B, a solidification phase diagram of the permanent magnet alloy related to the cooling speed;
3) nd established according to step 2) 2 Fe 14 B, calculating the Nd generated in the solidification process of the alloy 2 Fe 14 The contents of B phase, Fcc-Fe phase and liquid phase to obtain Nd generated in the solidification process of the alloy at different cooling rates 2 Fe 14 Contents of B phase, Fcc-Fe phase and liquid phase;
4) prediction of Nd 2 Fe 14 B, optimal cooling speed of the permanent magnet alloy: alloy solidification at different cooling rates obtained according to step 3)Content of phases produced in the process, predicted Nd 2 Fe 14 The optimal cooling speed of the permanent magnetic alloy B is 35 m/s;
5) and (3) experimental verification: nd obtained according to step 4) 2 Fe 14 Optimum cooling speed of B permanent-magnet alloy, for Nd under several different cooling speeds 2 Fe 14 B, testing and analyzing the components and magnetic performance of the alloy, and verifying that the result of the optimal cooling speed obtained by the experiment is consistent with the result of the predicted optimal cooling speed;
6) producing an alloy: according to the optimal cooling speed after experimental verification, Nd is guided by taking the optimal cooling speed as a process condition 2 Fe 14 B alloy is produced.
In step 2), the solidifying phase diagram is obtained by using DICTRA calculation/simulation 2 Fe 14 And B, a solidification phase diagram of the permanent magnet alloy related to the cooling speed.
Nd under a plurality of different cooling speeds 2 Fe 14 The composition and magnetic properties of the B alloy were measured and analyzed with Nd having a cooling rate of 15 to 40m/s 2 Fe 14 The composition and magnetic properties of the B alloy were tested and analyzed.
The invention provides a computer aided design method for an Nd-Fe-B permanent magnet alloy synthesis process, which can quickly obtain Nd 2 Fe 14 The optimal cooling speed of the B permanent magnetic alloy can meet the requirements of alloy performance and structure, the research and development period and cost of novel alloy process design are greatly reduced, the working efficiency is improved, and the method has important guiding value on the design and production of novel high-performance permanent magnetic materials.
Drawings
FIG. 1 is a graph of a solidification path for different cooling rates using the DICTRA software package to simulate the Nd-Fe-B system;
FIG. 2 shows Nd at different cooling rates 2 Fe 14 A content diagram of the B phase, the Fcc-Fe phase and the liquid phase;
FIG. 3 shows Nd at cooling speeds of 15m/s, 25m/s and 35m/s 2 Fe 14 The X-ray diffraction pattern of the B alloy;
FIG. 4 shows the cooling rate of 1Nd at 5m/s 2 Fe 14 B, analyzing a refined map of the alloy by X-ray diffraction and a content map of a Bcc-Fe phase in the alloy;
FIG. 5 shows the experimental results of Nd in different cooling rates 2 Fe 14 B magnetic property diagram.
Detailed Description
The present invention will be further described with reference to the following drawings and examples, but the present invention is not limited thereto.
The embodiment is as follows:
a computer aided design method for an Nd-Fe-B permanent magnet alloy synthesis process comprises the following steps:
1) establishing a phase diagram thermodynamics/diffusion dynamics database of Nd-Fe-B alloy: establishing a phase diagram thermodynamic database of the Nd-Fe-B alloy system based on collecting Gibbs free energy of each phase of the Nd-Fe-B ternary alloy system and the marginal binary system thereof reported by the literature; acquiring self-diffusion, impurity diffusion and tracing diffusion coefficients of an Nd-Fe-B alloy system by collecting diffusion coefficient information of a liquid phase and an Fcc phase of the Nd-Fe-B alloy system in a document and combining a Sutherland formula, and establishing an Nd-Fe-B alloy system liquid phase and Fcc phase atom mobility parameter database by adopting DICTRA software to form an alloy system diffusion dynamics database; the thermodynamic/kinetic database of the alloy system is shown in the following tables 1 and 2 respectively.
2) Simulating the interdependence relation of the solidification path and the cooling speed of the permanent magnetic alloy: obtaining Nd by utilizing a phase diagram thermodynamics/diffusion dynamics database established in the DICTRA software coupling step 1) 2 Fe 14 The mutual dependence relationship between the solidification path and the cooling speed of the B permanent magnetic alloy to construct Nd 2 Fe 14 The solidification phase diagram of the B permanent magnet alloy related to the cooling speed is shown in figure 1.
3) Nd established according to step 2) 2 Fe 14 B, calculating the solidification phase diagram of the permanent magnetic alloy related to the cooling speed, and calculating the Nd generated in the solidification process of the alloy at different cooling speeds 2 Fe 14 The contents of the B phase, the Fcc-Fe phase and the liquid phase are shown in FIG. 2, and it can be seen from FIG. 2 that Nd is present as the cooling rate is increased 2 Fe 14 B main phase content is continuously increased, Fcc-Fe phaseThe content of Nd decreased continuously, but when the cooling rate was 35m/s and 40m/s 2 Fe 14 The content of the B main phase has little difference.
4) Prediction of Nd 2 Fe 14 B, optimal cooling speed of the permanent magnet alloy: determining Nd according to the result of the step 3) and by combining the actual production cost 2 Fe 14 The optimal cooling speed of the B permanent magnetic alloy is 35 m/s.
5) And (3) experimental verification: to verify the reliability of step 3) and step 4), FIG. 3 shows Nd at cooling rates of 15m/s, 25m/s and 35m/s 2 Fe 14 The X-ray diffraction pattern of the B alloy shows that all samples are Nd 2 Fe 14 B main phase and Bcc-Fe phase. FIG. 4 shows Nd at a cooling rate of 15m/s 2 Fe 14 The X-ray diffraction analysis refinement map of the B alloy is calculated to obtain the content of the Bcc-Fe phase of 2.62%, which is highly consistent with the simulation value of 2.60% of the work. The reliability of the computational simulation of the present work was confirmed. FIG. 5 shows Nd at different cooling rates 2 Fe 14 Magnetic properties of the B alloy. It is clear from FIG. 5 that Nd is present at cooling speeds of 35m/s and 40m/s 2 Fe 14 The magnetic properties of the B alloys differ very little, which is consistent with the simulation results.
6) Producing an alloy: according to the optimum cooling speed after experimental verification, taking the optimum cooling speed as a process condition to guide Nd 2 Fe 14 B alloy is produced.
TABLE 1 thermodynamic database of ternary parameters of Nd-Fe-B system
TABLE 2 kinetic database of liquid and Fcc phases of Nd-Fe-B system
Claims (2)
1. A computer aided design method for an Nd-Fe-B permanent magnet alloy synthesis process is characterized by comprising the following steps:
1) establishing a phase diagram thermodynamics/diffusion kinetics database of the Nd-Fe-B alloy: establishing an Nd-Fe-B alloy thermodynamics/dynamics database on the basis of the existing literature, and specifically:
establishing a phase diagram thermodynamic database of the Nd-Fe-B alloy system based on collecting Gibbs free energy of each phase of the Nd-Fe-B ternary alloy system and the marginal binary system thereof reported by the literature; acquiring self-diffusion, impurity diffusion and tracing diffusion coefficients of an Nd-Fe-B alloy system by collecting diffusion coefficient information of a liquid phase and an Fcc phase of the Nd-Fe-B alloy system in a document and combining a Sutherland formula, and establishing an Nd-Fe-B alloy system liquid phase and Fcc phase atom mobility parameter database by adopting DICTRA software to form an alloy system diffusion dynamics database;
2) simulating the interdependence relation of the solidification path and the cooling speed of the permanent magnetic alloy: using a phase diagram thermodynamic database and a diffusion dynamics database in the computer simulation coupling step 1) to obtain Nd 2 Fe 14 The interdependence relation between the B permanent magnetic alloy solidification path and the cooling speed is adopted to construct Nd 2 Fe 14 B, a solidification phase diagram of the permanent magnet alloy related to the cooling speed;
the solidifying phase diagram is obtained by DICTRA calculation/simulation 2 Fe 14 B, a solidification phase diagram of the permanent magnet alloy related to the cooling speed;
3) nd built according to step 2) 2 Fe 14 B, calculating the Nd generated in the solidification process of the alloy 2 Fe 14 The contents of B phase, Fcc-Fe phase and liquid phase to obtain Nd generated in the solidification process of the alloy at different cooling rates 2 Fe 14 Contents of B phase, Fcc-Fe phase and liquid phase;
4) prediction of Nd 2 Fe 14 B, optimal cooling speed of the permanent magnet alloy: each produced during the solidification of the alloy at different cooling rates obtained according to step 3)Content of phase, predicted Nd 2 Fe 14 The optimal cooling speed of the permanent magnetic alloy B is 35 m/s;
5) and (3) experimental verification: nd obtained according to step 4) 2 Fe 14 Optimum cooling speed of B permanent-magnet alloy, for Nd under several different cooling speeds 2 Fe 14 B, testing and analyzing the components and magnetic performance of the alloy, and verifying that the result of the optimal cooling speed obtained by the experiment is consistent with the result of the predicted optimal cooling speed;
6) producing an alloy: according to the optimal cooling speed after experimental verification, Nd is guided by taking the optimal cooling speed as a process condition 2 Fe 14 B alloy is produced.
2. The method for computer-aided design of Nd-Fe-B permanent magnet alloy synthesis process according to claim 1, wherein in step 5), the Nd at a plurality of different cooling speeds is subjected to 2 Fe 14 The composition and magnetic properties of the B alloy were measured and analyzed with Nd having a cooling rate of 15 to 40m/s 2 Fe 14 The composition and magnetic properties of the B alloy were tested and analyzed.
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