Information processing system, information processing method, and information processing program

Abstract

To provide an information processing system, an information processing method, and an information processing program that reduces the deviation between a result of physical property simulation related to a ferroic ordered phase and a result of measurement of a substance.SOLUTION: Provided is a method for acquiring, on the basis of a model of a substance having a ferroic ordered phase, a first estimated value related to the physical properties of the substance calculated through predetermined physical property simulation and a measured value obtained through measurement of the substance, and in a data assimilation processing step, when the measured value includes a measurement reference value, the ratio of the measurement reference value to an estimated reference value is multiplied by a coefficient of coupling included in the acquired first estimated value according to the degree representing dependency of the estimated reference value on the coefficient of coupling, and thereby performing first data assimilation processing on the coefficient of coupling. The estimated reference value is a value corresponding to the measured reference value, of a phase transition temperature and a saturation value included in the acquired first estimated value. In an output step, the coefficient of coupling on which the first data assimilation processing is performed is output as a second estimated value.SELECTED DRAWING: Figure 5

Description

[Technical Field]

[0001] The present invention relates to an information processing system, an information processing method, and an information processing program. [Background technology]

[0002] As a conventional technique, Patent Document 1 discloses a saturation magnetization prediction method and a saturation magnetization prediction simulation program that can easily calculate the saturation magnetization of a single magnetic phase at a finite temperature.

[0003] The magnetization prediction method includes a first step of substituting measured data of saturation magnetization at finite temperatures into the Kuzmin equation to calculate the saturation magnetization and Curie temperature at absolute zero; a second step of assimilating the saturation magnetization and Curie temperature at absolute zero calculated in the first step with the saturation magnetization and Curie temperature at absolute zero calculated by first-principles calculations, and calculating, by machine learning, a prediction model equation that expresses the saturation magnetization and Curie temperature at absolute zero as a function of the abundance ratio of elements that constitute a single magnetic phase; and a third step of applying the prediction model equation created in the second step to the Kuzmin equation to calculate the saturation magnetization at finite temperatures. [Prior art documents] [Patent documents]

[0004] [Patent Document 1] Patent Publication No. 2021-33964 Summary of the Invention [Problem to be solved by the invention]

[0005] However, the estimated values ​​obtained by physical property simulations for materials with strongly ordered phases may differ from the actual measured values. The factors that cause the difference between the estimated values ​​and the measured values ​​are diverse, including those due to the purity and shape of the measured material, and those due to approximations made when performing physical property simulations. The differences may also depend on the state of the measured material and the measurement conditions. Therefore, there is still room for improvement in technology that incorporates the factors that cause the difference between the estimated values ​​and the measured values ​​into the estimated values. [Means for solving the problem]

[0006] According to one aspect of the present invention, there is provided an information processing system. The information processing system includes at least one processor capable of executing a program to perform the following steps: In the acquisition step, a first estimate of a physical property of a material calculated by a predetermined physical property simulation based on a model of the material having a strongly ordered phase and a measurement value obtained by measuring the material are acquired. Here, the first estimate includes the temperature dependence of the order parameter in the strongly ordered phase and a coupling coefficient indicating the magnitude of the interaction between sites of the material that contribute to the formation of the strongly ordered phase. In the data assimilation step, if the measurement value includes a measurement reference value, a first data assimilation process is performed on the coupling coefficient by multiplying the coupling coefficient included in the acquired first estimate by a ratio of the measurement reference value to the estimated reference value according to an order indicating the dependence of the estimate reference value on the coupling coefficient. Here, the measurement reference value includes at least one of a phase transition temperature indicating a phase transition from the strongly ordered phase when the value of the order parameter becomes zero and a saturation value, which is the value of the order parameter corresponding to the saturation state of the strongly ordered phase at absolute zero. The estimation reference value is a value corresponding to the measurement reference value among the phase transition temperature and saturation value included in the acquired first estimation value. In the output step, the coupling coefficient subjected to the first data assimilation process is output as the second estimation value.

[0007] With this configuration, the first estimated value includes information about the ideal physical properties of the substance being measured. The measured value includes information specific to the individual substance being measured, such as the quality of the substance and the measurement conditions. Therefore, the second estimated value calculated based on the first estimated value and the measured value is a value that reflects the information specific to the individual substance in relation to the ideal physical properties of the substance.

[0008] Here, the coupling coefficient indicates the strength of the interaction between sites that form the strongly ordered phase, and is therefore an important factor in identifying the properties of the strongly ordered phase, such as the physical properties and spatial characteristics of domain formation.

[0009] Therefore, by increasing the accuracy of the coupling coefficients through the data assimilation, it is possible to suppress the discrepancy between the results of the physical property simulations for the strongly ordered phase and the results of the measurements of the material. [Brief explanation of the drawings]

[0010] [Figure 1] 1 is a configuration diagram illustrating an information processing system 1. FIG. [Figure 2] FIG. 2 is a block diagram showing a hardware configuration of an information processing device 2. [Figure 3] FIG. 2 is a block diagram showing the hardware configuration of a user terminal 3. [Figure 4] FIG. 2 is a diagram illustrating an example of functional units included in a processor 23. [Figure 5] 3 is a flowchart showing an example of the flow of information processing executed in the information processing system 1. [Figure 6] 10 is a flowchart showing the flow of a data assimilation process. [Figure 7] 10 is a flowchart showing details of the process in step S100. [Figure 8] FIG. 10 is a diagram showing the change in the temperature dependence of spontaneous magnetization M due to data assimilation in step S103. [Figure 9] FIG. 10 is a diagram showing the change in the temperature dependence of spontaneous magnetization M due to data assimilation in step S110. [Figure 10] 10 is a flowchart showing details of the process in step S200. [Figure 11] FIG. 10 is a diagram showing the change in temperature dependence of magnetic anisotropy energy K due to data assimilation in step S202. [Figure 12] FIG. 10 is a diagram showing a change in the temperature dependency K2 of the second estimated magnetic anisotropy energy due to the correction in step S204. [Figure 13] 10 is a flowchart showing details of the process in step S300. [Figure 14] FIG. 10 is a diagram showing details of the process in step S305. DETAILED DESCRIPTION OF THE INVENTION

[0011] DETAILED DESCRIPTION OF THE PREFERRED EMBODIMENTS The present invention will be described below with reference to the accompanying drawings. Various features shown in the following embodiments can be combined with each other.

[0012] Incidentally, the program for realizing the software appearing in this embodiment may be provided as a non-transitory computer-readable medium, or may be provided so that it can be downloaded from an external server, or may be provided so that the program is started on an external computer and its functions are realized on a client terminal (so-called cloud computing).

[0013] In this embodiment, the term "unit" may also include, for example, a combination of hardware resources implemented by a circuit in the broad sense and software information processing that can be specifically realized by these hardware resources. In addition, this embodiment handles various types of information, which may be represented by, for example, physical values ​​of signal values ​​representing voltages and currents, high and low signal values ​​as a binary bit set consisting of 0 or 1, or quantum superposition (so-called quantum bits), and communication and calculations may be performed on a circuit in the broad sense.

[0014] In addition, a circuit in the broad sense is a circuit realized by at least appropriately combining a circuit, circuitry, a processor, a memory, etc. That is, it includes an application specific integrated circuit (ASIC), a programmable logic device (e.g., a simple programmable logic device (SPLD), a complex programmable logic device (CPLD), and a field programmable gate array (FPGA)), etc.

[0015] 1. Hardware Configuration This section explains the hardware configuration.

[0016] <Information Processing System 1> FIG. 1 is a configuration diagram showing an information processing system 1. The information processing system 1 includes an information processing device 2 and a user terminal 3. The information processing device 2 and the user terminal 3 are configured to be able to communicate with each other via a telecommunications line. In one embodiment, the information processing system 1 is made up of one or more devices or components. For example, if the information processing system 1 is made up of only the information processing device 2, the information processing system 1 can be the information processing device 2. These components will be described below.

[0017] <Information processing device 2> 2 is a block diagram showing the hardware configuration of the information processing device 2. The information processing device 2 includes a communication unit 21, a storage unit 22, and a processor 23, and these components are electrically connected via a communication bus 20 inside the information processing device 2. Each component will be further described.

[0018] The communication unit 21 is preferably a wired communication means such as USB, IEEE1394, Thunderbolt (registered trademark), wired LAN network communication, etc., but may also include wireless LAN network communication, mobile communication such as 3G / LTE / 5G, BLUETOOTH (registered trademark) communication, etc. as needed. In other words, it is more preferable to implement it as a collection of multiple communication means. In other words, the information processing device 2 may communicate various information from the outside via the communication unit 21 and the network.

[0019] The storage unit 22 stores various pieces of information defined above. This can be implemented, for example, as a storage device such as a solid state drive (SSD) that stores various programs and the like related to the information processing device 2 executed by the processor 23, or as a memory such as a random access memory (RAM) that stores temporarily required information (arguments, arrays, etc.) related to the program operations. The storage unit 22 stores various programs, variables, etc. related to the information processing device 2 executed by the processor 23.

[0020] The processor 23 processes and controls the overall operations related to the information processing device 2. The processor 23 is, for example, a central processing unit (CPU) not shown. The processor 23 realizes various functions related to the information processing device 2 by reading out predetermined programs stored in the storage unit 22. In other words, information processing by software stored in the storage unit 22 is specifically realized by the processor 23, which is an example of hardware, and can be executed as each functional unit included in the processor 23. These will be described in more detail in the next section. Note that the processor 23 is not limited to being single, and multiple processors 23 may be provided for each function. A combination of these may also be used.

[0021] <User terminal 3> 3 is a block diagram showing the hardware configuration of the user terminal 3. The user terminal 3 includes a communication unit 31, a storage unit 32, a processor 33, a display unit 34, and an input unit 35, and these components are electrically connected via a communication bus 30 inside the user terminal 3. The description of the communication unit 31, the storage unit 32, and the processor 33 is omitted because they are the same as the description of each unit in the information processing device 2.

[0022] The display unit 34 may be included in the housing of the user terminal 3 or may be externally attached. The display unit 34 displays a graphical user interface (GUI) screen that can be operated by the user. This is preferably implemented by selectively using display devices such as a CRT display, a liquid crystal display, an organic EL display, or a plasma display depending on the type of user terminal 3.

[0023] The input unit 35 may be included in the housing of the user terminal 3, or may be externally attached. For example, the input unit 35 may be implemented as a touch panel integrated with the display unit 34. A touch panel allows the user to input tapping, swiping, and the like. Of course, a switch button, a mouse, a QWERTY keyboard, or the like may be used instead of a touch panel. That is, the input unit 35 accepts an operation input made by the user. The input is transferred as a command signal to the processor 33 via the communication bus 30, and the processor 33 can execute predetermined control or calculation as necessary.

[0024] 2. Functional configuration of information processing device 2 4 is a diagram illustrating an example of functional units included in the processor 23. As illustrated in FIG. 4, the processor 23 includes an acquisition unit 231, a data assimilation unit 232, a correction unit 233, and an output unit 234.

[0025] The acquisition unit 231 is configured to be able to acquire information from the user terminal 3 or other devices. The acquisition unit 231 is configured to be able to acquire, for example, a first estimated value that is a calculation result from a predetermined physical property simulation, a measurement value obtained by measuring a substance, a relational expression that represents a function between a physical property of interest and a field, etc. Details of these will be described later.

[0026] The acquisition unit 231 is configured to be able to acquire various pieces of information by reading out various pieces of information stored in a storage area that is at least a part of the memory unit 22 and writing the read out information in a working area that is at least a part of the memory unit 22. The storage area is, for example, an area of ​​the memory unit 22 that is implemented as a storage device such as an SSD. The working area is, for example, an area that is implemented as a memory such as a RAM.

[0027] The data assimilation unit 232 is configured to be able to perform data assimilation of a first estimate in accordance with the measurement values ​​acquired by the acquisition unit 231. The data assimilation unit 232 is configured to be able to generate a second estimate by performing the data assimilation. The second estimate can also be said to be a data-assimilated first estimate.

[0028] The correction unit 233 is configured to be able to correct the results of the acquisition by the acquisition unit 231 and the results of the data assimilation process by the data assimilation unit 232 using various parameters.

[0029] The output unit 234 is configured to be able to output various information such as the first estimated value and the second estimated value. The information can be presented to the user via the display unit 34 of the user terminal 3 or another device. In such a case, for example, the output unit 234 controls the display unit 34 of the user terminal 3 to display visual information such as a screen, an image including a still image or a video, an icon, a message, etc. The output unit 234 may generate only rendering information for displaying the visual information on the user terminal 3. Note that the output unit 234 may present the output information to the user without going through the user terminal 3 or another device user.

[0030] 3. Information Processing In this section, we will explain the information processing executed in the above-mentioned information processing system 1. The information processing, for example, uses the results of a simulation for a model of a substance having a strongly ordered phase to calculate the strongly ordered phase. It is used to simulate the dynamic properties of ordered phases. Hereinafter, an example of information processing targeting a substance (ferromagnetic material) having a ferromagnetic phase as a strongly ordered phase will be described as an example. Ferromagnetic materials include, for example, iron-based magnets such as Fe, Fe3O4, FePt, and Ni-Zn ferrite. The ferromagnetic material is not limited to these, and may be any inorganic compound magnet such as a Co-based magnet, a Ni-based magnet, or a Nd-based magnet, or may be an organic magnetic material.

[0031] 3.1. Information processing flow 5 is a flowchart showing an example of the flow of information processing executed in the information processing system 1. Note that the information processing may include any exception processing not shown. Exception processing includes interruption of the information processing or omission of each process. Selection or input performed in the information processing may be based on a user operation or may be performed automatically without relying on a user operation.

[0032] [Step S1] First, in step S1, the acquisition unit 231 acquires a model of a material having a ferromagnetic phase, and the processor 23 executes a predetermined physical property simulation based on the acquired model. As a result, the output unit 234 outputs a first estimated value related to the physical properties of the ferromagnetic material. The first estimated value includes the temperature dependence of the order parameter in the ferromagnetic phase and the coupling coefficient. The first estimated value may further include the temperature dependence of the anisotropy energy, the temperature dependence of the exchange stiffness constant A, the temperature dependence of the damping constant α, etc.

[0033] <Temperature dependence of order parameter> The temperature dependence of the order parameter in the strongly ordered phase may include a saturation value and a phase transition temperature. The saturation value is the value of the order parameter corresponding to the saturation state of the strongly ordered phase at absolute zero. The phase transition temperature represents the phase transition from the strongly ordered phase, when the value of the order parameter becomes zero. In this embodiment, since the strongly ordered phase is a ferromagnetic phase, the order parameter is the spontaneous magnetization M of the material. The saturated state is a state in which the material has a domain structure exhibiting almost a single strongly ordered property. The saturation value is the saturation magnetization of the material, particularly the saturation magnetization M at absolute zero. The phase transition temperature is the Curie temperature Tc corresponding to the phase transition from the ferromagnetic phase to the paramagnetic phase. In other words, the temperature dependence of the order parameter in the strongly ordered phase is the temperature dependence of the spontaneous magnetization M in the ferromagnetic phase. In this embodiment, the spontaneous magnetization M has a temperature dependence such that it decreases from the saturation magnetization M0 as the temperature increases and becomes zero at the Curie temperature Tc. Hereinafter, for convenience of explanation, the temperature dependence of the spontaneous magnetization M included in the first estimated value will be referred to as the temperature dependence M1 of the first spontaneous magnetization, and the Curie temperature Tc included in the first estimated value will be referred to as the first estimated Curie temperature Tc1.

[0034] <Coupling coefficient> The coupling coefficient indicates the magnitude of the interaction between sites of a material that contributes to the formation of a strongly ordered phase. In this embodiment, the coupling coefficient is the magnetic exchange coefficient Jij, since the strongly ordered phase is a ferromagnetic phase. The magnetic exchange coefficient Jij represents the interaction between sites. In detail, the magnetic exchange coefficient Jij represents the interaction between the spins located at the i-th site and the j-th site in the material. The interaction between spins can include exchange interaction between spins and magnetic interaction between spins. The magnetic exchange coefficient Jij defines, for example, a first Hamiltonian H1 corresponding to the exchange energy between spins.

[0035]

number

[0036] Here, i and j are indexes representing sites in the material. S_i is the spin operator for the i-th site. In this embodiment, the spin operator S_i is expressed by the classical Heisenberg model, S_i = (S_ix, S_iy, S_iz). Note that the model representing the spin system of the material is not limited to this, and can be set appropriately depending on the system to be solved, such as an Ising model or an XY model. Hereinafter, for convenience of explanation, the magnetic exchange coefficient Jij included in the first estimated value will be referred to as the first estimated magnetic exchange coefficient Jij1.

[0037] <Exchange stiffness constant A> The exchange stiffness constant A is a quantity that indicates the magnitude of the fluctuation of exchange energy per unit volume. The exchange stiffness constant A can be calculated based on the magnetic exchange coefficients Jij. The exchange stiffness constant A0 at absolute zero is expressed, for example, by using the mean field approximation as the sum of the magnetic exchange coefficients Jij as follows:

[0038]

number

[0039] Here, n is the number of atoms contained in the cell of the material to be calculated, and a is the lattice constant of the cell.

[0040] In the mean field approximation, the temperature dependence of the exchange stiffness constant A is expressed as follows using the temperature dependence of the exchange stiffness constant A0, the saturation magnetization M0, and the spontaneous magnetization M at absolute zero:

number

[0041] <Anisotropic energy> The anisotropy energy indicates the magnitude of the anisotropy of the order parameter of the strongly ordered phase in a material. In this embodiment, the anisotropy energy is the magnetic anisotropy energy K (MAE). The magnetic anisotropy energy K varies depending on the spin direction in the ferromagnetic material. The magnetic anisotropy energy K may include contributions from, for example, a second Hamiltonian H2 due to uniaxial spin anisotropy and a third Hamiltonian H3 due to the symmetry of the crystal structure. In this embodiment, the third Hamiltonian H3 is used when the material is a cubic crystal.

[0042]

number

[0043]

number

[0044] Here, u is an index indicating one of the x, y, and z directions representing the coordinates, and e_u represents a unit vector in the direction corresponding to u. k_u and k_c are parameters indicating the degree of each magnetic anisotropy, and are determined by, for example, the type of atom, the crystal structure, the distance between sites, etc. Hereinafter, for convenience of explanation, the temperature dependence of the magnetic anisotropy energy K included in the first estimated value will be simply referred to as the temperature dependence K1 of the first estimated magnetic anisotropy energy.

[0045] <Material Model> The material model includes, for example, the target Hamiltonian, information about the crystalline structure of the material, and a method for approximating the physical properties of the material (such as the type, magnitude, and expression format of interactions to be incorporated into the calculation). The target Hamiltonian is set appropriately depending on the system of interest. For example, the target Hamiltonian may include contributions from the first Hamiltonian H1 to the third Hamiltonian H3. The target Hamiltonian may also include terms corresponding to the Zeeman energy contribution and the Dzyaloshinsky-Moriya interaction contribution.

[0046] Information about the crystalline structure of a substance may include any information, such as information about the lattice, such as the lattice constant, composition, number of lattices, and lattice symmetry (space group), and information about atoms, such as the number, position, valence, orbital state, electron spin state, and symmetry around the atoms (point group). This information may be included in any crystal structure database, described in a paper, or obtained by various measurements such as X-ray diffraction experiments. A model of a substance includes at least one site where an atom is located.

[0047] The physical property simulation of this embodiment includes first-principles calculation and finite temperature calculation, and may further include micromagnetic simulation, phase-field simulation, device simulation, etc.

[0048] <First principles calculation> The first-principles calculation outputs a first estimated value at absolute zero based on the obtained material model. The first-principles calculation of this embodiment is performed using density functional theory (DFT). Note that the calculation method for the first estimated value at absolute zero is not limited to the first-principles calculation, and any method such as the Hartree-Fock method, mean field approximation, classical Monte Carlo method, quantum Monte Carlo method, or variational Monte Carlo method can be used. The first-principles calculation of this embodiment outputs the saturation magnetization M0 at absolute zero, the coupling coefficient (magnetic exchange coefficient Jij), and the magnetic anisotropy energy K at absolute zero as the first estimated value at absolute zero. Note that the magnetic anisotropy energy K may include energy due to uniaxial anisotropy and energy due to the symmetry of the crystal structure.

[0049] <Finite temperature calculation> The finite temperature calculation outputs a first estimate at a finite temperature based on the output first estimate at absolute zero. The first estimate at a finite temperature includes the temperature dependence of the spontaneous magnetization M at the finite temperature and the temperature dependence K1 of the magnetic anisotropy energy at the finite temperature. The temperature dependence of the spontaneous magnetization M at the finite temperature includes the Curie temperature Tc at which the spontaneous magnetization M becomes zero. Specific embodiments of the finite temperature calculation include, for example, quantum Monte Carlo method, first-principles molecular dynamics method, and first-principles lattice dynamics method. In this embodiment, the classical Monte Carlo method is used for the finite temperature calculation. This reduces the computational load required to obtain the first estimate, thereby shortening the computation time and enabling simulations of larger systems. Hereinafter, for convenience of explanation, the first estimate at absolute zero and the first estimate at a finite temperature may be collectively referred to simply as the first estimate. In other words, the first estimate includes a first estimate at absolute zero and a first estimate at a finite temperature.

[0050] The physical property simulation does not have to be performed by the information processing device 2 itself, but may be performed by an external device, such as a supercomputer or cloud computing, etc. In this case, the information processing device 2 may perform the calculation indirectly by communicating with the external device.

[0051] [Step S2] Next, the process proceeds to step S2, where the acquisition unit 231 acquires a first estimated value calculated by the physical property simulation and a measured value obtained by measuring the substance that is the target of the physical property simulation.

[0052] <Measurement value> The measured values ​​are physical property values ​​measured in a strongly ordered state. The measured values ​​include at least a portion of the temperature dependence of the spontaneous magnetization M. The temperature dependence of the spontaneous magnetization M includes, for example, the Curie temperature Tc as a phase transition temperature and the saturation magnetization M0 at absolute zero. Hereinafter, for convenience of explanation, the temperature dependence of the spontaneous magnetization M included in the measured values ​​will be referred to as the temperature dependence of the measured magnetization ME, the Curie temperature Tc included in the measured values ​​will be referred to as the measured Curie temperature TcE, and the saturation magnetization M0 at absolute zero included in the measured values ​​will be referred to as the measured saturation magnetization M0E.

[0053] The temperature dependence of the measured magnetization M may include the value of the spontaneous magnetization M of a material at a finite temperature other than the phase transition temperature. Specifically, the temperature dependence of the spontaneous magnetization M may include the value of the spontaneous magnetization M at a finite temperature between absolute zero and the Curie temperature Tc. Furthermore, the measured value does not necessarily include the Curie temperature Tc itself or the saturation magnetization M0 itself, but may be obtained by fitting the measurement results of the spontaneous magnetization M at multiple temperatures. Furthermore, the measured saturation magnetization M0E may be the spontaneous magnetization M measured near absolute zero or a value obtained by extrapolation from the spontaneous magnetization M. Furthermore, the measured Curie temperature TcE is not limited to the temperature at which the spontaneous magnetization M becomes completely zero, but may also be a temperature obtained based on the temperatures before and after the spontaneous magnetization M becomes zero. Such temperature dependence of the spontaneous magnetization M can be measured, for example, using a superconducting quantum interference device (SQUID) magnetometer.

[0054] The measured value may include a susceptibility indicating the response of the order parameter to a field conjugate to the order parameter. In this embodiment, the field conjugate to the order parameter is a magnetic field (magnetic field). The susceptibility is a magnetic susceptibility, particularly a complex magnetic susceptibility μ. The complex magnetic susceptibility μ can be obtained, for example, from the measurement results of the spontaneous magnetization M when an AC magnetic field is applied. The magnetic field dependence of such spontaneous magnetization M can be measured, for example, using the above-mentioned SQUID magnetometer. Hereinafter, for convenience of explanation, the complex magnetic susceptibility μ included in the measured value will be referred to as the measured magnetic susceptibility μE.

[0055] The measured value may also include magnetic anisotropy energy K, which represents the difference in free energy when a ferromagnetic material is magnetized along the easy axis and the hard axis. The magnetic anisotropy energy K can be obtained, for example, from the history of magnetization relative to the magnetic field, based on the following relation:

[0056]

number

[0057] M_s indicates the saturation magnetization at a certain temperature. H_ext represents the magnetic field. Axis 1 represents the easy axis of magnetization, and axis 2 represents the hard axis of magnetization. The magnetic anisotropy energy K can be calculated, for example, based on the saturation magnetization M_s at each measured temperature and the magnetic field dependence of the magnetization. For convenience of explanation, the temperature dependence of the magnetic anisotropy energy K included in the second estimated value will be referred to as the temperature dependence of the second estimated magnetic anisotropy energy K2, and the temperature dependence of the magnetic anisotropy energy K included in the measured value will be referred to as the temperature dependence of the measured magnetic anisotropy energy KE. The measured value of the magnetic anisotropy energy K can be obtained, for example, by measuring the magnetic field dependence of the spontaneous magnetization M and integrating the hysteresis curve obtained from this dependence.

[0058] <damping constant α> The damping constant α indicates the degree of attenuation of the microscopic order parameter at a site. In this embodiment, the damping constant α is the Gilbert damping constant used in the Landau-Lifshitz-Gilbert equation (LLG equation) below, and indicates, for example, the degree of suppression of the precession of the magnetization by the effective magnetic field H_eff.

[0059]

number

[0060] m is the local magnetization. H_eff is the effective magnetic field acting on the magnetization m. The effective magnetic field H_eff includes, for example, the exchange energy contribution from the first Hamiltonian H1, the anisotropy energy contribution from the second Hamiltonian H2, the Zeeman effect contribution, and the demagnetization term. γ is the gyromagnetic constant. The damping constant α can be measured, for example, by ferromagnetic resonance measurements.

[0061] [Step S3] Next, the process proceeds to step S3, where the data assimilation unit 232 performs data assimilation based on the acquired first estimate and the measured value. As a result, the data assimilation unit 232 calculates a second estimate by assimilating the first estimate with the measured value. The second estimate may include the same physical properties as the first estimate. The second estimate includes, for example, the temperature dependence of the spontaneous magnetization M, the Curie temperature Tc, the magnetic exchange coefficient Jij, the magnetic anisotropy energy K, and the exchange stiffness constant A. Details of the data assimilation process will be described later. Hereinafter, for convenience of explanation, the temperature dependence of the spontaneous magnetization M included in the second estimate will be referred to as the second temperature dependence of the spontaneous magnetization M2, and the Curie temperature Tc included in the second estimate will be referred to as the second estimated Curie temperature Tc2. Furthermore, the magnetic exchange coefficient Jij included in the second estimate will be referred to as the second estimated magnetic exchange coefficient Jij2. Furthermore, the temperature dependence of the magnetic anisotropy energy K included in the second estimated value is referred to as the temperature dependence K2 of the second estimated magnetic anisotropy energy.

[0062] [Step S4] Next, the process proceeds to step S4, where the output unit 234 outputs the coupling coefficients obtained by the first data assimilation process as second estimated values. The output second estimated values ​​are used for any purpose, such as input parameters for a micromagnetic simulation. Specifically, the output unit 234 performs a micromagnetic simulation by substituting the first estimated value and the second estimated value into the LLG equation.

[0063] 3.2. Data assimilation process flow Next, the data assimilation process in step S3 will be described with reference to the flowchart of FIG.

[0064] [Step S100] First, in step S100, the data assimilation unit 232 performs processing including a first data assimilation process for the coupling coefficient based on the acquired first estimated value and the measurement value, and a second data assimilation process for the temperature dependence M1 of the spontaneous magnetization M included in the acquired first estimated value.

[0065] In the first data assimilation process, the data assimilation unit 232 multiplies the coupling coefficient included in the acquired first estimated value by the ratio of the measurement reference value to the estimated reference value according to the order representing the dependency of the estimated reference value on the coupling coefficient, thereby performing data assimilation on the coupling coefficient.

[0066] <Measurement reference value> The measurement reference values ​​are physical property values ​​used in the data assimilation process (particularly the first data assimilation process). The measurement reference values ​​include at least one of a measured Curie temperature TcE as a phase transition temperature and a measured saturation magnetization M0E as a saturation value.

[0067] <Estimated standard value> The estimated reference value is a value corresponding to the measured reference value among the acquired first estimated values, which are the first estimated Curie temperature Tc1 as the phase transition temperature and the first estimated saturation magnetization M01 as the saturation value. When the measured reference value includes the measured Curie temperature TcE, the estimated reference value includes the first estimated Curie temperature Tc1. On the other hand, when the measured reference value includes the measured saturation magnetization M0E, the estimated reference value includes the first estimated saturation magnetization M01.

[0068] In addition, when the measured value includes a measurement reference value, the data assimilation unit 232 performs a second data assimilation process by multiplying the temperature dependence M1 of the spontaneous magnetization M included in the acquired first estimated value based on the ratio of the measurement reference value to the estimated reference value.

[0069] The output unit 234 outputs the second estimated magnetic exchange coefficient Jij2 and the temperature dependence M2 of the second spontaneous magnetization as a result of the processing of step S100. Furthermore, the output unit 234 of this embodiment calculates the temperature dependence of the exchange stiffness constant A based on the magnetic exchange coefficient Jij and the temperature dependence of the saturation magnetization M0 included in the estimated value as a result of the processing of step S100, and outputs it as a second estimated value.

[0070] [Step S200] Next, the process proceeds to step S200, where the data assimilation unit 232 performs a third data assimilation process on the temperature dependence of the anisotropy energy (in this embodiment, the temperature dependence K1 of the first estimated magnetic anisotropy energy) included in the first estimated value, based on at least one of the coupling coefficient (in this embodiment, the second estimated magnetic exchange coefficient Jij2) for which the first data assimilation process was performed and the temperature dependence of the order parameter (in this embodiment, the temperature dependence M2 of the second spontaneous magnetization) for which the second data assimilation process was performed. As a result, the output unit 234 further outputs the temperature dependence of the anisotropy energy (in this embodiment, the temperature dependence K2 of the second estimated magnetic anisotropy energy) for which the third data assimilation process was performed as a second estimated value.

[0071] [Step S300] Next, the process proceeds to step S300, where the processor 23 performs a physical property simulation based on the second estimated value calculated in steps S100 and S200. As a result, the output unit 234 outputs the temperature dependence of the first damping constant α1. Then, the data assimilation unit 232 performs a fourth data assimilation process on the output first damping constant α1. As a result, the second damping constant α2 subjected to data assimilation is obtained as a second estimated value.

[0072] The second estimated value output by these processes is used to perform a micromagnetic simulation or the like.

[0073] 3.3. Details of the processing in step S100

[0074] Next, the process of step S100 will be described in detail below with reference to a flowchart of FIG.

[0075] [Step S101] First, in step S101, the processor 23 determines whether the acquired measurement value includes the measured Curie temperature TcE. This determination may be made in response to a user input or in response to the format of the measurement value.

[0076] [Step S102] If the measured value includes the measured Curie temperature TcE (if the determination result in step S101 is positive), the process proceeds to step S102, where the data assimilation unit 232 performs data assimilation of the first estimated magnetic exchange coefficient Jij1 based on the measured Curie temperature TcE as the measurement reference value and the first estimated Curie temperature Tc1 as the estimated reference value corresponding to the measured Curie temperature TcE. The process of step S102 for performing data assimilation of the first estimated magnetic exchange coefficient Jij1 can be said to be a first data assimilation process when the estimated reference value is the first estimated Curie temperature Tc1. It can also be said to be a first data assimilation process.

[0077] Specifically, the data assimilation unit 232 calculates the ratio TcE / Tc1 of the measured Curie temperature TcE to the first estimated Curie temperature Tc1. Next, the data assimilation unit 232 calculates the second estimated magnetic exchange coefficient Jij2 by multiplying the first estimated magnetic exchange coefficient Jij1 by the power of the ratio TcE / Tc1 based on the Curie temperature Tc dependence of the magnetic exchange coefficient Jij. The Curie temperature Tc dependence of the magnetic exchange coefficient Jij includes, for example, the order of proportionality of the Curie temperature Tc to the magnetic exchange coefficient Jij. In this embodiment, considering only nearest-neighbor interactions, the magnetic exchange coefficient Jij is proportional to the Curie temperature Tc to the first order. Therefore, the data assimilation unit 232 calculates the second estimated magnetic exchange coefficient Jij2 by multiplying the first estimated magnetic exchange coefficient Jij1 by the first power of the ratio TcE / Tc1. As a result, the data assimilation unit 232 performs a first data assimilation and essentially replaces the contribution of the first estimated Curie temperature Tc1 contained in the first estimated magnetic exchange coefficient Jij1 with the contribution of the measured Curie temperature TcE, thereby obtaining a second estimated magnetic exchange coefficient Jij2 that is less inconsistent with experimental facts than the first estimated magnetic exchange coefficient Jij1.

[0078] [Step S103] Next, the process proceeds to step S103, where data assimilation of the first temperature dependence M1 of spontaneous magnetization is performed based on the ratio TcE / Tc1 of the measured Curie temperature TcE to the first estimated Curie temperature Tc1. This results in a second temperature dependence M2 of spontaneous magnetization, which has a Curie temperature Tc more consistent with experimental facts than the first temperature dependence M1 of spontaneous magnetization. In this case, if the difference between the second estimated Curie temperature Tc2 calculated using the second estimated magnetic exchange coefficient Jij2 and the measured Curie temperature TcE is greater than a certain threshold, the second estimated Curie temperature Tc2 may be re-established as the first estimated Curie temperature Tc1, and the process may return to step S102. Step S103, where data assimilation of the first temperature dependence M1 of spontaneous magnetization is performed, can also be considered a second data assimilation process of this embodiment.

[0079] In this embodiment, the data assimilation unit 232 performs a finite temperature calculation (e.g., a classical Monte Carlo calculation) again using the coupling coefficient (second estimated magnetic exchange coefficient Jij2) obtained through the first data assimilation process. This simplifies the finite temperature calculation using the second estimated magnetic exchange coefficient Jij2 compared to using a finite temperature calculation method different from that used to calculate the first estimated magnetic exchange coefficient Jij1. Note that the finite temperature calculation method used in step S103 may be different from the finite temperature calculation method used in step S1. Because the second estimated magnetic exchange coefficient Jij2 is obtained based on the ratio TcE / Tc1, the processing based on the second estimated magnetic exchange coefficient Jij2 can be said to be processing based on the ratio TcE / Tc1.

[0080] When performing the finite temperature calculation again, at least some of the values ​​calculated in the previous finite temperature calculation (such as the first estimated value) may be used as constraints. This limits the calculation range, making it possible to prevent the amount of calculation from diverging.

[0081] The specific manner of data assimilation of the temperature dependence M1 of the first spontaneous magnetization is not limited to this. For example, the data assimilation unit 232 may perform data assimilation of the temperature dependence M1 of the first spontaneous magnetization by converting the temperature as a variable included in the temperature dependence M1 of the first spontaneous magnetization based on the ratio TcE / Tc1. In detail, the data assimilation unit 232 converts the temperature axis of the temperature dependence M1 of the first spontaneous magnetization. The specific manner of the correction is arbitrary, but for example, the conversion of the temperature axis is performed based on the following relational expression. Note that T represents temperature as a variable.

[0082]

number

[0083] This conversion corresponds to a change in the scale of the temperature axis, and therefore, a second temperature dependence of spontaneous magnetization M2 is obtained in which the first estimated Curie temperature Tc1 is adjusted to the measured Curie temperature TcE while maintaining the qualitative properties of the first temperature dependence of spontaneous magnetization M1.

[0084] FIG. 8 shows the change in the temperature dependence of the spontaneous magnetization M due to data assimilation in step S103. The first estimated Curie temperature Tc1 obtained by the physical properties simulation in step S100 is estimated to be larger than the measured Curie temperature TcE. As a result of the processing in step S103, the temperature dependence of the first spontaneous magnetization M1 is reduced along the temperature axis. This results in a second temperature dependence of the spontaneous magnetization M2 such that the second estimated Curie temperature Tc2 matches the measured Curie temperature TcE while maintaining the qualitative properties of the first temperature dependence of the spontaneous magnetization M1. Note that in the processing in step S103, the second estimated saturation magnetization M02 is assimilated so that it matches the first estimated saturation magnetization M01. This prevents data assimilation using measured values ​​only near the measured Curie temperature TcE from affecting the first estimated value in a region where experimental facts have not been verified by measurement.

[0085] [Step S104] 7, the process then proceeds to step S104, where the processor 23 determines whether the measured values ​​include at least one value of the order parameter of the material at a finite temperature other than the phase transition temperature. In this embodiment, the corrector 233 determines whether the measured values ​​include at least one value of the spontaneous magnetization M at a finite temperature other than the measured Curie temperature TcE. In other words, the corrector 233 determines whether the temperature dependence ME of the measured magnetization includes a value other than the measured reference value (i.e., a value other than the measured Curie temperature TcE or the measured saturation magnetization M0E).

[0086] [Step S105] If the measured value includes at least one value of the order parameter of the material at a finite temperature other than the phase transition temperature (if the determination result of step S104 is positive), the process proceeds to step S105, where the correction unit 233 further corrects the temperature dependence of the order parameter included in the estimated value based on the value of the order parameter of the material at the finite temperature. In this embodiment, the correction unit 233 corrects the temperature dependence M2 of the second spontaneous magnetization obtained by the process of step S103 based on the value of the spontaneous magnetization M at the finite temperature included in the temperature dependence ME of the measured magnetization. While the specific form of this correction is arbitrary, for example, the correction unit 233 corrects the temperature dependence M2 of the second spontaneous magnetization by fitting the temperature dependence M2 of the second spontaneous magnetization based on the value of the spontaneous magnetization M at the finite temperature using the least squares method, maximum likelihood method, or the like. At this time, the second estimated Curie temperature Tc2 may be fixed as a constraint for this correction. This makes it possible to obtain the temperature dependence M2 of the second spontaneous magnetization that is more in line with experimental facts while maintaining the results of data assimilation of the Curie temperature Tc through the processing of step S103. The correction unit 233 updates the corrected temperature dependence M2 of the second spontaneous magnetization as the latest temperature dependence M2 of the second spontaneous magnetization. The acquisition unit 231 can also obtain the second estimated saturation magnetization M02 from the value at absolute zero of the temperature dependence M2 of the second spontaneous magnetization.

[0087] [Step S106] Next, the process proceeds to step S106, where the data assimilation unit 232 calculates the temperature dependence of the exchange stiffness constant A based on the temperature dependences of the magnetic exchange coefficient Jij and spontaneous magnetization M included in the estimated values. The data assimilation unit 232 may calculate the temperature dependence of the exchange stiffness constant A using the above-mentioned relational expression. When the process of step S105 is being performed, the data assimilation unit 232 calculates the temperature dependence of the exchange stiffness constant A based on the second estimated magnetic exchange coefficient Jij2 obtained in step S102 and the temperature dependence M2 of the second spontaneous magnetization corrected in step S105. Then, the output unit 234 outputs the temperature dependence of the exchange stiffness constant A. The output unit 234 outputs the latest values ​​of the various calculated parameters as second estimated values. When step S105 is performed, the second estimated value includes the second estimated magnetic exchange coefficient Jij2 obtained in step S102, the temperature dependence M2 of the corrected second spontaneous magnetization obtained in step S105, and the temperature dependence of the exchange stiffness constant A obtained in step S106. When the processing of step S106 is completed, the processor 23 ends the processing of step S100.

[0088] On the other hand, if the measured value does not include the value of the order parameter of the material at a finite temperature other than the phase transition temperature (if the determination result in step S104 is negative), step S105 is omitted and the process proceeds to step S106. In this case, the second estimated value includes the second estimated magnetic exchange coefficient J obtained in step S102, the temperature dependence M of the second spontaneous magnetization obtained in step S103, and the temperature dependence of the exchange stiffness constant A obtained in step S106.

[0089] [Step S107] On the other hand, if the measured value does not include the measured Curie temperature TcE (if the determination result in step S101 is negative), the process proceeds to step S107, where the processor 23 determines whether the measured value includes at least one value of the order parameter (spontaneous magnetization M) of the material at a finite temperature other than the phase transition temperature (Curie temperature Tc). Details of the determination process are the same as those in step S104.

[0090] [Step S108] If the measured value includes at least one value of the order parameter of the material at a finite temperature other than the phase transition temperature (including absolute zero and its vicinity) (if the determination result of step S107 is positive), the process proceeds to step S108, where the correction unit 233 further corrects the temperature dependence of the order parameter included in the estimated value based on the value of the order parameter of the material at the finite temperature. In this embodiment, the correction unit 233 corrects the temperature dependence M1 of the first spontaneous magnetization acquired by the process of step S1 based on the value of the spontaneous magnetization M at the finite temperature included in the temperature dependence ME of the measured magnetization. As a result, the acquisition unit 231 acquires at least one of the measured Curie temperature TcE and the measured saturation magnetization M0E (i.e., the measurement reference value) from the corrected temperature dependence M1 of the first spontaneous magnetization. The specific form of the correction is arbitrary; for example, the correction unit 233 corrects the temperature dependence M2 of the second spontaneous magnetization by fitting using the least squares method, maximum likelihood method, or the like. In the correction in step S108, the second estimated saturation magnetization M02 is not fixed. This allows for a more accurate estimate of the saturation magnetization M0 by obtaining a temperature dependence M2 of the second spontaneous magnetization that is more in line with experimental facts. If the measured saturation magnetization M0E has not been obtained experimentally, the correction unit 233 essentially uses the estimated saturation magnetization M0 as the measured saturation magnetization M0E. If the measured saturation magnetization M0E has been obtained experimentally, the correction unit 233 uses the measured saturation magnetization M0E as is. The correction unit 233 updates the corrected temperature dependence M1 of the first spontaneous magnetization as the latest temperature dependence M2 of the second spontaneous magnetization. The corrected temperature dependence M1 of the first spontaneous magnetization includes the first estimated saturation magnetization M01 and the first estimated Curie temperature Tc1.

[0091] [Step S109] Next, data assimilation of the first estimated magnetic exchange coefficient Jij1 is performed based on the measured saturation magnetization M0E (in other words, the corrected first estimated saturation magnetization M01) as the measurement reference value and the uncorrected first estimated saturation magnetization M01 as the estimation reference value. The processing of step S109 for performing data assimilation of the first estimated magnetic exchange coefficient Jij1 can also be said to be the first data assimilation processing when the estimation reference value is the second estimated saturation magnetization M02.

[0092] Specifically, the data assimilation unit 232 calculates the ratio M0E / M01 of the measured saturation magnetization M0E to the first estimated saturation magnetization M01 before correction. Next, the data assimilation unit 232 calculates the second estimated magnetic exchange coefficient Jij2 by multiplying the first estimated magnetic exchange coefficient Jij1 by a power of the ratio M0E / M01 based on the dependence of the magnetic exchange coefficient Jij on the spontaneous magnetization M. The dependence of the magnetic exchange coefficient Jij on the spontaneous magnetization M includes, for example, the proportionality order of the spontaneous magnetization M to the magnetic exchange coefficient Jij. In this embodiment, since the magnetic exchange coefficient Jij is proportional to the second order of the spontaneous magnetization M, the data assimilation unit 232 calculates the second estimated magnetic exchange coefficient Jij2 by multiplying the first estimated magnetic exchange coefficient Jij1 by the square of the ratio M0E / M01. As a result, the data assimilation unit 232 performs a first data assimilation and essentially replaces the contribution of the temperature dependence M1 of the first spontaneous magnetization contained in the first estimated magnetic exchange coefficient Jij1 with the contribution of the measured saturation magnetization M0E, thereby obtaining a second estimated magnetic exchange coefficient Jij2 that is less inconsistent with experimental facts than the first estimated magnetic exchange coefficient Jij1.

[0093] [Step S110] Next, the process proceeds to step S110, where the data assimilation unit 232 performs data assimilation of the corrected temperature dependence M1 of the first spontaneous magnetization based on the ratio M0E / M01 of the measured saturation magnetization M0E to the corrected first estimated saturation magnetization M01. This results in the temperature dependence M2 of the second spontaneous magnetization, which has a saturation magnetization M0 that is more in line with experimental facts than the temperature dependence M1 of the first spontaneous magnetization. Step S110, which performs data assimilation of the temperature dependence M1 of the first spontaneous magnetization, can also be considered to be one of the second data assimilation processes of this embodiment.

[0094] In this embodiment, the data assimilation unit 232 performs the finite temperature calculation (for example, classical Monte Carlo calculation) again using the coupling coefficient (second estimated magnetic exchange coefficient Jij2) that has been subjected to the first data assimilation process, as in step S103. This makes it possible to simplify the processing when performing the finite temperature calculation using the second estimated magnetic exchange coefficient Jij2 compared to when a method different from the finite temperature calculation used to calculate the first estimated magnetic exchange coefficient Jij1 is used.

[0095] 9 is a diagram showing the change in the temperature dependence of the spontaneous magnetization M due to data assimilation in step S110. The temperature dependence M1 of the first spontaneous magnetization obtained by the physical properties simulation in step S100 is estimated to be larger than the temperature dependence ME of the measured magnetization. As a result of the processing in step S110, the qualitative properties of the temperature dependence M1 of the first spontaneous magnetization are maintained, and the deviation between the temperature dependence M1 of the first spontaneous magnetization and the temperature dependence ME of the measured magnetization is suppressed. Note that in the processing in step S110, unlike the processing in step S103, the second estimated saturation magnetization M02 and the first estimated saturation magnetization M01 may be different.

[0096] Note that the specific manner of data assimilation of the temperature dependence M1 of the first spontaneous magnetization is not limited to this. For example, the data assimilation unit 232 may perform data assimilation of the temperature dependence M1 of the first spontaneous magnetization by converting the temperature as a variable included in the temperature dependence M1 of the first spontaneous magnetization based on the ratio M0E / M01. In detail, the data assimilation unit 232 converts the temperature axis for the temperature dependence M1 of the first spontaneous magnetization. While the specific manner of the correction is arbitrary, for example, the conversion of the temperature axis is performed based on the following relational expression. Note that T represents temperature as a variable.

[0097]

number

[0098] This transformation corresponds to a change in the scale of the temperature axis, resulting in a second temperature dependence of the spontaneous magnetization M2 in which the first estimated saturation magnetization M01 is adjusted to the measured saturation magnetization M0E while maintaining the qualitative properties of the first temperature dependence of the spontaneous magnetization M1.

[0099] [Step S106] 7, the process then proceeds to step S106, where the data assimilation unit 232 calculates the temperature dependence of the exchange stiffness constant A based on the temperature dependence of the magnetic exchange coefficient Jij and spontaneous magnetization M included in the estimated values. If steps S108 to S110 have been performed, the data assimilation unit 232 may calculate the temperature dependence of the exchange stiffness constant A based on the second estimated magnetic exchange coefficient Jij2 obtained in step S109 and the temperature dependence M2 of the second spontaneous magnetization obtained in step S110.

[0100] If the determination result in step S107 is negative (i.e., if the measured value does not include the measured Curie temperature TcE or the value of the spontaneous magnetization M at a finite temperature other than the measured Curie temperature TcE), steps S108 to S110 are omitted, and the process proceeds to step S106. In this case, the first data assimilation process and the second data assimilation process are omitted, and the processor 23 calculates the exchange stiffness constant A based on the first estimated magnetic exchange coefficient Jij1 and the temperature dependence M1 of the first spontaneous magnetization acquired in step S2.

[0101] 3.3. Details of the processing in step S200 Next, the process of step S200 will be described in detail below with reference to a flowchart of FIG.

[0102] [Step S201] First, in step S201, the processor 23 determines whether the difference between the coupling coefficient included in the first estimated value (first estimated magnetic exchange coefficient Jij1) and the coupling coefficient (second estimated magnetic exchange coefficient Jij2) subjected to data assimilation processing (specifically, first data assimilation processing) is equal to or greater than a first coupling threshold. The difference between the two may be expressed in any form, such as a difference, a change amount, a change rate, or a ratio. The first coupling threshold can be set arbitrarily depending on the accuracy required for the second estimated value.

[0103] [Step S202] If the difference between the first estimated magnetic exchange coefficient Jij1 and the second estimated magnetic exchange coefficient Jij2 is equal to or greater than the first coupling threshold (i.e., if the determination result in step S201 is positive), the process proceeds to step S202, where the data assimilation unit 232 performs data assimilation for the temperature dependence K1 of the first estimated magnetic anisotropy energy based on at least one of the second estimated values ​​calculated in step S100. The process of step S202, which performs data assimilation for the temperature dependence K1 of the first estimated magnetic anisotropy energy, can be said to be one of the third data assimilation processes of this embodiment.

[0104] In this embodiment, a finite temperature calculation is performed again using the coupling coefficient (second estimated magnetic exchange coefficient Jij2) obtained by the first data assimilation process and the temperature dependence of the order parameter (temperature dependence M2 of the second spontaneous magnetization) obtained by the second data assimilation process. This makes it possible to obtain the second estimated temperature dependence K2 of the magnetic anisotropy energy, which reflects information on the magnetic exchange coefficient Jij that is more in line with experimental facts than the first estimated temperature dependence K1 of the magnetic anisotropy energy. In this embodiment, the finite temperature calculation method used in step S202 is the same as the finite temperature calculation method in step S1, but the two methods may be different.

[0105] Note that the specific manner of data assimilation of the temperature dependence K1 of the first estimated magnetic anisotropic energy is not limited to this. For example, the data assimilation unit 232 may perform data assimilation of the temperature dependence K1 of the first estimated magnetic anisotropic energy by converting the temperature as a variable included in the temperature dependence K1 of the first estimated magnetic anisotropic energy based on the ratio Tc2 / Tc1 between the second estimated Curie temperature Tc2 and the first estimated Curie temperature Tc1. In particular, the data assimilation unit 232 converts the temperature axis of the temperature dependence K1 of the first estimated magnetic anisotropic energy. While the specific manner of this correction is arbitrary, for example, the temperature axis conversion is performed based on the following relational expression:

[0106]

number

[0107] This conversion corresponds to a change in the scale of the temperature axis, and therefore, a second estimated temperature dependence of magnetic anisotropy energy K2 is obtained in which the Curie temperature Tc is adjusted to a second estimated Curie temperature Tc2 that reflects experimental facts more than the first estimated Curie temperature Tc1 while maintaining the qualitative properties of the first estimated temperature dependence of magnetic anisotropy energy K1.

[0108] FIG. 11 shows the change in the temperature dependence of the magnetic anisotropy energy K due to data assimilation in step S202. The temperature dependence K1 of the first estimated magnetic anisotropy energy obtained by the physical properties simulation in step S100 is estimated to be larger than the temperature dependence K of the measured magnetic anisotropy energy. As a result of the processing in step S103, the temperature dependence K1 of the first estimated magnetic anisotropy energy is reduced along the temperature axis. This results in a second estimated temperature dependence K2 of the magnetic anisotropy energy such that the second estimated Curie temperature Tc2 matches the measured Curie temperature TcE while maintaining the qualitative properties of the temperature dependence K1 of the first estimated magnetic anisotropy energy. Note that in the processing in step S202, the magnetic anisotropy energy K02 at absolute zero included in the second estimated value is assimilated so that it matches the magnetic anisotropy energy K01 at absolute zero included in the first estimated value.

[0109] 10, the process then proceeds from step S202 to step S203. Note that if the difference between the coupling coefficient included in the first estimated value and the coupling coefficient obtained by the first data assimilation process is less than the first coupling threshold (i.e., if the determination result in step S201 is negative), the process of step S202 is omitted, and the process proceeds to step S203.

[0110] [Step S203] Next, in step S203, the processor 23 determines whether or not the measured value includes the temperature dependence of the anisotropic energy (temperature dependence KE of the measured magnetic anisotropic energy).

[0111] [Step S204] If the measured value includes the temperature dependence of the anisotropic energy (temperature dependence KE of the measured magnetic anisotropic energy) (if the determination result of step S203 is positive), the correction unit 233 corrects the temperature dependence of the anisotropic energy included in the estimated value based on the measurement result of the temperature dependence of the anisotropic energy (temperature dependence KE of the measured magnetic anisotropic energy). If the processing of step S202 has been performed, the correction target in step S204 is the temperature dependence K2 of the second estimated magnetic anisotropic energy. On the other hand, if the processing of step S202 has been omitted, the correction target in step S204 is the temperature dependence K1 of the first estimated magnetic anisotropic energy.

[0112] Here, the correction of the temperature dependence K2 of the second estimated magnetic anisotropic energy will be described in more detail. Fig. 12 is a diagram showing the change in the temperature dependence K2 of the second estimated magnetic anisotropic energy due to the correction in step S204. In Fig. 12, the temperature dependence K2 of the second estimated magnetic anisotropic energy before the correction in step S203 is denoted as K21, and the temperature dependence K2 of the second estimated magnetic anisotropic energy after the correction in step S203 is denoted as K22.

[0113] The correction unit 233 corrects the temperature dependence K1 of the first estimated magnetic anisotropy energy or the temperature dependence K2 of the second estimated magnetic anisotropy energy based on the value of the magnetic anisotropy energy K at a finite temperature included in the temperature dependence KE of the measured magnetic anisotropy energy. This correction is performed using, for example, the least squares method or the maximum likelihood method. The temperature dependence K21 of the second estimated magnetic anisotropy energy before correction has already undergone data assimilation along the temperature axis in step S202. Therefore, in the correction in step S204, the correction unit 233 fixes the second estimated Curie temperature Tc2 when correcting the temperature dependence K2 of the second estimated magnetic anisotropy energy. This allows consistency with experimental facts to be maintained. On the other hand, in the correction in step S204, the correction unit 233 does not fix the magnetic anisotropy energy K0 at absolute zero to the magnetic anisotropy energy K01 at absolute zero included in the first estimated value. This makes it easier to obtain a magnetic anisotropy energy K0 at absolute zero that is more in line with experimental facts. 12, the second estimated Curie temperature Tc2 is almost the same for the temperature dependence K21 of the second estimated magnetic anisotropy energy before correction and the temperature dependence K22 of the second estimated magnetic anisotropy energy after correction. On the other hand, as a result of the correction based on the temperature dependence KE of the measured magnetic anisotropy energy, the corrected magnetic anisotropy energy K02 at absolute zero is smaller than the uncorrected magnetic anisotropy energy K01 at absolute zero.

[0114] If the measured value does not include the measured Curie temperature TcE, it is preferable to fix the magnetic anisotropy energy K01 at absolute zero included in the first estimated value when correcting the temperature dependence K2 of the second estimated magnetic anisotropy energy, thereby suppressing the divergence of the calculation amount.

[0115] 10, after the process of step S204 is completed, the process of step S200 is completed. On the other hand, if the measured value does not include the measurement result of the temperature dependence of the anisotropic energy (temperature dependence KE of the measured magnetic anisotropic energy) (if the process of step S203 is negative), the process of step S204 is omitted and the process of step S200 is completed.

[0116] 3.4. Details of the processing in step S300 Next, the process of step S300 will be described in detail below with reference to a flowchart of FIG.

[0117] [Step S301] First, in step S301, the processor 23 determines whether the difference between the first estimated magnetic exchange coefficient Jij1 and the second estimated magnetic exchange coefficient Jij2 is equal to or greater than a second coupling threshold. The second coupling threshold can be set appropriately depending on the required accuracy and computational resources. The difference between the first estimated magnetic exchange coefficient Jij1 and the second estimated magnetic exchange coefficient Jij2 is correlated with the difference between the temperature dependence M1 of the first spontaneous magnetization and the temperature dependence M2 of the second spontaneous magnetization. Therefore, the determination in step S301 is synonymous with a determination based on the difference between the temperature dependence M1 of the first spontaneous magnetization and the temperature dependence M2 of the second spontaneous magnetization.

[0118] [Step S302] If the difference between the coupling coefficient included in the first estimated value (first estimated magnetic exchange coefficient Jij1) and the coupling coefficient included in the second estimated value (second estimated magnetic exchange coefficient Jij2) is equal to or greater than the second coupling threshold (if the determination result in step S301 is positive), the process proceeds to step S302, where the processor 23 performs a physical property simulation based on the second estimated value. Specifically, as the physical property simulation, the processor 23 calculates a damping constant α at absolute zero using first-principles calculations, and performs a finite temperature calculation using the second estimated values, such as the second estimated magnetic exchange coefficient Jij2 and the second estimated saturation magnetization M02, as inputs in addition to the damping constant α. As a result, the output unit 234 outputs the first damping constant α1. This allows for a damping constant α that is more consistent with experimental facts than when α1, etc. are calculated using the first estimated value. Note that the specific method for the first-principles calculation in step S302 is preferably, for example, an algorithm based on linear response theory included in the SPR-KKR program. However, the specific calculation method is not limited to this, and may be one that uses an algorithm in the Akai-KKR program.Then, the process proceeds to step S304.

[0119] The difference between the first estimated magnetic exchange coefficient Jij1 and the second estimated magnetic exchange coefficient Jij2 indicates that the experimental facts differ by more than the allowable amount from the ideal state that is the premise of the simulation in step S1.

[0120] [Step S303] On the other hand, if the difference between the coupling coefficient included in the first estimated value (first estimated magnetic exchange coefficient Jij1) and the coupling coefficient obtained by the first data assimilation process (second estimated magnetic exchange coefficient Jij2) is less than the second coupling threshold, the process proceeds to step S303, where the processor 23 performs a physical property simulation based on the first estimated value. Specifically, as the physical property simulation, the processor 23 performs a finite temperature calculation using the first estimated values, such as the first estimated magnetic exchange coefficient Jij1 and the first estimated saturation magnetization M01, as input. As a result, the output unit 234 outputs the first damping constant α1. Thereafter, the process proceeds to step S304.

[0121] In this way, by omitting the calculation of the damping constant α in the physical property simulation in step S1 and changing the calculation mode of the damping constant α according to the change in the magnetic exchange coefficient Jij due to data assimilation, it is possible to save computational resources due to duplicated calculations.

[0122] It should be noted that if the first damping constant α1 and the like have been calculated by performing a physical property simulation based on the first estimated value in step S1, the processing of step S303 may be omitted.

[0123] [Step S304] In step S304, the processor 23 determines whether the measured value includes information about the power loss P in the material (ferromagnetic material) due to the application of a field conjugate to the order parameter. In this embodiment, the processor 23 determines whether the measured value includes the measured magnetic susceptibility μE. The power loss P includes, for example, eddy current loss P_E and hysteresis loss P_H. The eddy current loss P_E is expressed as follows:

[0124]

number

[0125] V is the volume of the material, d is the thickness of the material, and f is the frequency of the magnetic field H. The data assimilation unit 232 can calculate the resistivity ρ by performing a physical property simulation based on the latest estimated values ​​(the temperature dependence M2 of the second spontaneous magnetization, the second estimated magnetic exchange coefficient Jij2, the temperature dependence K2 of the second estimated magnetic anisotropy energy, etc.). Therefore, the power loss P can be calculated by performing a physical property simulation based on the latest estimated values.

[0126] The hysteresis loss P_H is expressed as follows:

[0127]

number

[0128] μ2 is the imaginary component of the complex magnetic susceptibility μ. The data assimilation unit 232 can calculate the imaginary component μ2 of the complex magnetic susceptibility μ from the hysteresis loss P_H based on the above relationship. Therefore, the complex magnetic susceptibility μ (particularly the imaginary component μ2) can be included in the information about the power loss P. Hereinafter, for convenience of explanation, the hysteresis loss P_H included in the measured value will be referred to as the measured hysteresis loss P_HE. Note that the measured hysteresis loss P_HE is not limited to one that is actually measured, and may be one that is calculated based on the measured magnetic susceptibility μE.

[0129] [Step S305] Next, the process proceeds to step S305, where the data assimilation unit 232 performs data assimilation for the first damping constant α1 based on the information about the power loss and the estimated values ​​obtained in steps S100 and S200. As a result, the data assimilation unit 232 calculates the second damping constant α2, which is the first damping constant for which data assimilation has been performed. The process of step S305, which performs data assimilation for the damping constant α, can be considered to be one of the fourth data assimilation processes in this embodiment.

[0130] Here, an example of the data assimilation method for the first damping constant α1 in step S305 will be described. Fig. 14 is a diagram showing details of the process in step S305.

[0131] First, in step S305, the data assimilation unit 232 sets a plurality of damping constants α to be used in the micromagnetic simulation. Specifically, the data assimilation unit 232 sets the damping constant α to be used in the micromagnetic simulation based on the first damping constant α. The range of the damping constant α is arbitrary, but it is preferable that it be set to include the first damping constant α1. In FIG. 14, as an example, three values ​​of 0.001, 0.005, and 0.01 are set as the damping constant α.

[0132] Next, the data assimilation unit 232 performs a micromagnetic simulation for each set damping constant α using the latest estimated values ​​(the temperature dependence M2 of the second spontaneous magnetization, the second estimated magnetic exchange coefficient Jij2, the temperature dependence K2 of the second estimated magnetic anisotropy energy, etc.). This allows the complex magnetic susceptibility μ for each set damping constant α to be obtained. At this time, the data assimilation unit 232 performs the micromagnetic simulation at multiple temperatures T and frequencies of the magnetic field H, thereby allowing the temperature and magnetic field dependence of the complex magnetic susceptibility μ for each set damping constant α to be obtained.

[0133] The specific form of the micromagnetic simulation is arbitrary. The data assimilation unit 232 may estimate the magnitude of the effective magnetic field H_eff and the value of the gyromagnetic constant γ by incorporating the influence of neighboring sites on the target site as a field effect based on, for example, information about the structure of the material, the temperature dependence of the spontaneous magnetization M, the temperature dependence of the magnetic anisotropy energy K, and the temperature dependence of the exchange stiffness constant A included in the estimated values. The neighboring sites preferably include at least the nearest neighbor sites, but are not limited to the nearest neighbor sites and may also include the next nearest neighbor sites or sites farther away from the target site than the next nearest neighbor sites.

[0134] Next, the data assimilation unit 232 calculates the frequency dependence of the hysteresis loss P_H using the complex magnetic susceptibility μ for each damping constant α obtained by the micromagnetic simulation.

[0135] Next, the data assimilation unit 232 compares the calculated hysteresis loss P_H for each damping constant α with the measured hysteresis loss P_HE, and calculates a damping constant α that reproduces the measured hysteresis loss P_HE as a second damping constant α2. Any method can be used to determine the second damping constant α2. For example, the difference between the weighted average of the calculated hysteresis losses P_H for each damping constant α and the measured hysteresis loss P_HE can be minimized using the least squares method or the like, and the second damping constant α2 is calculated based on the coefficient included in the weighted average. This completes data assimilation of the damping constant α. In this embodiment, α2 = 0.00106. Processing then proceeds to step S306.

[0136] If the measured value does not include information about power loss (if the determination result in step S304 is negative), the process of step S305 is omitted and the process proceeds to step S306.

[0137] [Step S306] In step S306, the output unit 234 outputs various physical property values ​​obtained by the data assimilation process and the like as the latest estimated values. The output unit 234 outputs second estimated values ​​for physical property values ​​for which second estimated values ​​have been obtained, and outputs first estimated values ​​for physical property values ​​for which second estimated values ​​have not been obtained. The estimated values ​​include, for example, the second estimated magnetic exchange coefficient Jij2, the second temperature dependence of spontaneous magnetization M2, and the second damping constant α2. The output estimated values ​​can be used in predetermined simulations such as micromagnetic simulations. Then, the processing of step S300 ends.

[0138] By carrying out the above-described information processing, it is possible to obtain a second estimated value that is less inconsistent with experimental facts than the first estimated value, and a highly accurate simulation result based on the second estimated value.

[0139] 4.Other The above-described information processing mode is merely an example, and is not limited to this.

[0140] 10, the condition for the data assimilation unit 232 to perform the third data assimilation process (more specifically, the process of step S202) is not limited to the difference between the first estimated magnetic exchange coefficient Jij1 and the second estimated magnetic exchange coefficient Jij2 being equal to or greater than the first coupling threshold. For example, the data assimilation unit 232 may perform the third data assimilation process when the difference between the first estimated value and the second estimated value of any physical property value responsive to a change in the coupling coefficient, such as the difference between the temperature dependence M1 of the first spontaneous magnetization and the temperature dependence M2 of the second spontaneous magnetization, is equal to or greater than a predetermined value.

[0141] For example, in step S201, the processor 23 determines whether the difference between the temperature dependence of the order parameter included in the first estimated value (temperature dependence M1 of the first estimated spontaneous magnetization) and the temperature dependence of the order parameter for which the first data assimilation process was performed (temperature dependence M2 of the second estimated spontaneous magnetization) is equal to or greater than a first variable threshold. The difference between the two may be expressed in any form, such as a difference, an amount of change, a rate of change, or a ratio. The first variable threshold can be set arbitrarily depending on the accuracy required for the second estimated value.

[0142] If the difference between the temperature dependence M1 of the first estimated spontaneous magnetization and the temperature dependence M2 of the second estimated spontaneous magnetization is equal to or greater than the first variable threshold (i.e., if the above judgment result is positive), the data assimilation unit 232 proceeds to step S202, and the data assimilation unit 232 performs data assimilation for the temperature dependence K1 of the first estimated magnetic anisotropy energy based on at least one of the second estimated values.

[0143] If the difference between the temperature dependence M1 of the first estimated spontaneous magnetization and the temperature dependence M2 of the second estimated spontaneous magnetization is less than the first variable threshold (i.e., if the above judgment result is negative), the processing of step S202 is omitted and the processing proceeds to step S203.

[0144] 13 , the condition for the processor 23 to perform the process of step S302 is not limited to the difference between the first estimated magnetic exchange coefficient Jij1 and the second estimated magnetic exchange coefficient Jij2 being equal to or greater than the second coupling threshold. For example, when the difference between the first estimated value and the second estimated value of any physical property responsive to a change in the coupling coefficient, such as the difference between the temperature dependence M1 of the first spontaneous magnetization and the temperature dependence M2 of the second spontaneous magnetization, is equal to or greater than a predetermined value, the processor 23 may perform a physical property simulation based on the second estimated value in step S302 and output the first damping constant α1 using the output unit 234.

[0145] For example, in step S301, the processor 23 determines whether the difference between the temperature dependence M1 of the first estimated spontaneous magnetization and the temperature dependence M2 of the second estimated spontaneous magnetization is equal to or greater than a second variable threshold value. The second variable threshold value can be set appropriately depending on the required accuracy and computational resources.

[0146] If the difference between the temperature dependence M1 of the first estimated spontaneous magnetization and the temperature dependence M2 of the second estimated spontaneous magnetization is equal to or greater than the second variable threshold, the process proceeds to step S302, where the processor 23 performs a physical property simulation based on the second estimated value. As a result, the output unit 234 outputs the first damping constant α1.

[0147] On the other hand, if the difference between the temperature dependence M1 of the first spontaneous magnetization and the temperature dependence M2 of the second spontaneous magnetization is less than the second variable threshold, the process proceeds to step S303.

[0148] The data assimilation process in step S3 does not need to include all of the first and second data assimilation processes in step S100, the third data assimilation process in step S200, and the fourth data assimilation process in step S300. For example, the data assimilation process in step S3 may include only the first data assimilation process in step S100. Furthermore, each data assimilation process may be performed independently.

[0149] The ferromagnetic phase to which the information processing is applied is not limited to a ferromagnetic phase. For example, the ferroelectric phase, ferroelastic phase, ferrotoroidal phase, or any other ferroelectric phase may be used. The information processing can also be applied to any long-range order within a material as the ferromagnetic order. Examples of long-range orders include antiferromagnetic phases, weak ferromagnetic phases, tilted antiferromagnetic phases, helical magnetic phases, skyrmion phases, and charge-ordered phases.

[0150] For example, when the ferroelectric phase is the strongly ordered phase, the order parameter is expressed using spontaneous polarization or atomic vibrational modes. The coupling coefficient, which indicates the magnitude of the interaction, can include contributions from, for example, Coulomb interaction, electron orbital overlap integral, and spin-orbit interaction. The saturation value is the saturation value of spontaneous polarization. The phase transition temperature is the Curie temperature, which indicates the phase transition from the ferroelectric phase to the paraelectric phase. The field conjugate to the strongly ordered phase is the electric field. The susceptibility is the electric susceptibility (particularly the complex electric susceptibility). The relationship between the above physical properties can be obtained using the time-dependent Landau-Lifshitz equation for polarization, linear response theory, Landau phenomenology based on symmetry, molecular field theory, etc. The same applies to other strongly ordered phases.

[0151] In step S2, when the measurement value is input to the user terminal 3, the information processing device 2 may acquire the measurement value input to the user terminal 3 from the user terminal 3. Furthermore, in cases where the information processing device 2 itself functions as a measurement device, the acquisition unit 231 may acquire the measurement result by the information processing device 2 as the measurement value.

[0152] The information processing device 2 may be an on-premise type or a cloud type. As the information processing device 2 in the cloud type, the above-mentioned functions and processes may be provided in the form of, for example, SaaS (Software as a Service) or cloud computing.

[0153] In the above embodiment, the information processing device 2 performs various storage and control operations, but multiple external devices may be used instead of the information processing device 2. That is, various information and programs may be distributed and stored in multiple external devices using block chain technology or the like.

[0154] The aspect of this embodiment is not limited to the information processing system 1, and may be an information processing method or an information processing program. The information processing method includes each step of the information processing system 1. The information processing program causes at least one computer to execute each step of the information processing system 1.

[0155] The information processing system 1 and the like may be provided in the following aspects.

[0156] (1) An information processing system, comprising at least one processor capable of executing a program to perform the following steps: in the acquisition step, a first estimated value for a physical property of a material calculated by a predetermined physical property simulation based on a model of the material having a strongly ordered phase, and a measured value obtained by measuring the material, are acquired, wherein the first estimated value includes a temperature dependence of an order parameter in the strongly ordered phase and a coupling coefficient indicating a magnitude of an interaction between sites of the material that contribute to the formation of the strongly ordered phase; and in the data assimilation step, if the measured value includes a measurement reference value, a ratio of the measurement reference value to the estimated reference value is calculated as a function of the coupling coefficient. a first data assimilation process for the coupling coefficient by multiplying the coupling coefficient included in the acquired first estimate by an order representing the dependency of the estimated reference value, wherein the measurement reference value includes at least one of a phase transition temperature representing a phase transition from the strongly ordered phase when the value of the order parameter becomes 0 and a saturation value which is the value of the order parameter corresponding to a saturation state of the strongly ordered phase at absolute zero, and the estimated reference value is the value of the phase transition temperature and the saturation value included in the acquired first estimate that corresponds to the measurement reference value, and in an output step, the coupling coefficient after the first data assimilation process is output as a second estimate.

[0157] According to this configuration, the first estimate includes information about the ideal physical properties of the substance being measured. The measured values ​​include information specific to the individual substance being measured, such as the quality of the substance and the measurement conditions. Therefore, the second estimate calculated based on the first estimate and the measured values ​​reflects the information specific to the individual substance relative to the ideal physical properties of the substance. Here, the coupling coefficient indicates the strength of the interaction between sites that form a strongly ordered phase. Therefore, it is an important factor in identifying the properties of a strongly ordered phase, such as the physical properties resulting from the strongly ordered phase and the spatial properties of domain formation. Therefore, by improving the accuracy of the coupling coefficient through the above-mentioned data assimilation, it is possible to suppress the discrepancy between the results of physical property simulations related to strongly ordered phases and the measurement results of the substance.

[0158] (2) In the information processing system described in (1) above, the data assimilation step further performs a second data assimilation process on the temperature dependence of the order parameter included in the first estimated value obtained by multiplying the temperature dependence of the order parameter obtained by the ratio, and the output step further outputs the temperature dependence of the order parameter obtained by the second data assimilation process as the second estimated value.

[0159] This configuration allows us to obtain a temperature dependence of the order parameter that is more in line with experimental results than the first estimated value. Here, the magnitude of the order parameter indicates the temperature dependence of the energy required for the phase transition from the strongly ordered phase. This can therefore improve the reliability of the temperature design of devices that utilize the phase transition of the strongly ordered phase.

[0160] (3) In the information processing system described in (2) above, the physical property simulation includes a first-principles calculation that outputs the first estimated value at absolute zero based on a model of the substance, and a finite temperature calculation that outputs the first estimated value at a finite temperature based on the first estimated value at absolute zero, wherein the first estimated value at absolute zero includes the coupling coefficient, and the second data assimilation process performs the finite temperature calculation again using the coupling coefficient used in the first data assimilation process.

[0161] With this configuration, information about physical properties at finite temperatures is calculated using parameters that correspond to the measurement results, making it possible to obtain highly reliable estimated values ​​that correspond to experimental facts compared to when finite temperature calculations are simply performed using the results of first-principles calculations.

[0162] (4) In the information processing system described in (2) or (3) above, in the data assimilation processing step, if the measured value includes at least one value of the order parameter in the material at a finite temperature other than the phase transition temperature, the temperature dependence of the order parameter included in the estimated value is further corrected based on the value of the order parameter in the material at the finite temperature.

[0163] This configuration can improve the reliability of the temperature dependence of the order parameter at a finite temperature between absolute zero and the phase transition point.

[0164] (5) In the information processing system according to any one of (2) to (4) above, the first estimate further includes a temperature dependence of anisotropic energy indicating the magnitude of anisotropy of the order parameter; and in the data assimilation step, if a difference between the coupling coefficient included in the first estimate and the coupling coefficient obtained by the data assimilation step is equal to or greater than a first coupling threshold, or if a difference between the temperature dependence of the order parameter included in the first estimate and the temperature dependence of the order parameter obtained by the data assimilation step is equal to or greater than a first variable threshold, a third data assimilation step is further performed on the temperature dependence of the anisotropic energy included in the first estimate based on the second estimate; and in the output step, the temperature dependence of the anisotropic energy obtained by the third data assimilation step is further output as the second estimate.

[0165] According to this configuration, the reliability of the estimation accuracy regarding the direction of the order parameter is improved.

[0166] (6) In the information processing system described in (5) above, in the data assimilation processing step, if the measured value includes the temperature dependence of the anisotropic energy, the temperature dependence of the anisotropic energy included in the estimated value is corrected based on the temperature dependence of the anisotropic energy.

[0167] According to this configuration, the reliability of the estimation accuracy regarding the direction of the order parameter is further improved.

[0168] (7) In the information processing system according to any one of (2) to (6) above, in the output step, if a difference between the coupling coefficient included in the first estimate and the coupling coefficient included in the second estimate is equal to or greater than a second coupling threshold, or if a difference between the temperature dependence of the order parameter included in the first estimate and the temperature dependence of the order parameter included in the second estimate is equal to or greater than a second variable threshold, the temperature dependence of a first damping constant is output by performing the physical property simulation based on the second estimate, wherein the damping constant indicates a degree of microscopic damping of the order parameter at the site.

[0169] In this configuration, the damping constant is one of the factors that determine the relaxation process of the strongly ordered phase. Therefore, by obtaining a damping constant that is in line with experimental facts, the reliability of simulations of the physical properties of the strongly ordered phase using the damping constant can be improved.

[0170] (8) In the information processing system described in (7) above, in the data assimilation processing step, if the measurement value includes information regarding power loss in the material due to the application of a field conjugate to the order parameter, a fourth data assimilation processing is performed on the first damping constant based on the information regarding the power loss and the estimated value, and in the output step, a second damping constant which is the first damping constant subjected to the fourth data assimilation processing is output.

[0171] According to this configuration, the damping constant is estimated based on multiple experimental data, which improves the accuracy of the damping constant estimation, thereby further improving the reliability of simulations of the physical properties of strongly ordered phases using the damping constant.

[0172] (9) In the information processing system described in any one of (1) to (8) above, the strongly ordered phase is a ferromagnetic phase, the order parameter is the spontaneous magnetization of the material, the coupling coefficient is the magnetic coupling coefficient between the sites, the phase transition temperature is the Curie temperature corresponding to the phase transition from the ferromagnetic phase to the paramagnetic phase, and the saturation value is the saturation magnetization of the material.

[0173] With this configuration, the estimated values ​​of various physical properties, particularly those related to ferromagnetism, reflect the material-specific information contained in the measured values, which can improve the convenience of designing devices that utilize ferromagnetic properties, for example.

[0174] (10) An information processing method, comprising the steps of the information processing system according to any one of (1) to (9) above.

[0175] (11) An information processing program that causes at least one computer to execute each step of the information processing system described in any one of (1) to (9) above. Of course, this is not the case.

[0176] Finally, while various embodiments of the present disclosure have been described, they are presented as examples and are not intended to limit the scope of the invention. The novel embodiments may be embodied in various other forms, and various omissions, substitutions, and modifications may be made without departing from the spirit of the invention. Such embodiments and modifications are intended to be included within the scope and spirit of the invention, as well as within the scope of the inventions and their equivalents as defined in the claims. [Explanation of symbols]

[0177] 1: Information processing system 2: Information processing equipment 3: User terminal 20: Communication bus 21: Communications Department 22: Storage section 23: Processor 30: Communication bus 31: Communications Department 32: Storage section 33: Processor 34:Display section 35: Input section 231: Acquisition Department 232: Data Assimilation Department 233: Correction unit 234: Output section A: Exchange stiffness constant A0: Exchange stiffness constant H: Magnetic field Jij: magnetic exchange coefficient Jij1: First estimated magnetic exchange coefficient Jij2: second estimated magnetic exchange coefficient K: magnetic anisotropy energy K0: Magnetic anisotropy energy at absolute zero K01: Magnetic anisotropy energy at absolute zero included in the first estimate K02: Magnetic anisotropy energy at absolute zero included in the second estimate K1: Temperature dependence of the first estimated magnetic anisotropy energy K2: Temperature dependence of the second estimated magnetic anisotropy energy K21: Temperature dependence of the second estimated magnetic anisotropy energy before correction K22: Temperature dependence of the second estimated magnetic anisotropy energy after correction KE: Temperature dependence of measured magnetic anisotropy energy M: Spontaneous magnetization M0: Saturation magnetization M01: First estimated saturation magnetization M02: Second estimated saturation magnetization M0E: Measured saturation magnetization M1: Temperature dependence of the first spontaneous magnetization M2: Temperature dependence of the second spontaneous magnetization ME: Temperature dependence of measured magnetization P: Power loss P_E: Eddy current loss P_H: Hysteresis loss P_HE: Measurement hysteresis loss T :Temperature Tc: Curie temperature Tc1: First estimated Curie temperature Tc2: second estimated Curie temperature TcE: Measured Curie temperature α: damping constant α1: First damping constant α2: Second damping constant μ: complex magnetic susceptibility μ2: imaginary component μE: measured magnetic susceptibility

Claims

1. An information processing system, at least one processor capable of executing a program to perform the following steps; In the acquisition step, a first estimated value of a physical property of the material calculated by a predetermined physical property simulation based on a model of the material having a strongly ordered phase and a measured value obtained by measuring the material are acquired; wherein the first estimated value includes a temperature dependence of an order parameter in the strongly ordered phase and a coupling coefficient indicating a magnitude of an interaction between sites of the material that contribute to the formation of the strongly ordered phase; In the data assimilation processing step, when the measurement value includes a measurement reference value, a first data assimilation processing is performed on the coupling coefficient by multiplying the coupling coefficient included in the acquired first estimated value by a ratio of the measurement reference value to an estimated reference value in accordance with an order representing the dependency of the estimated reference value on the coupling coefficient; wherein the measurement reference value includes at least one of a phase transition temperature representing a phase transition from the strongly ordered phase when the value of the order parameter becomes 0, and a saturation value which is the value of the order parameter corresponding to a saturated state of the strongly ordered phase at absolute zero; the estimated reference value is a value of the phase transition temperature and the saturation value included in the acquired first estimated value that corresponds to the measurement reference value, In the output step, the coupling coefficients subjected to the first data assimilation process are output as second estimated values.

2. 2. The information processing system according to claim 1, the data assimilation step further includes performing a second data assimilation process on the temperature dependence of the order parameter included in the obtained first estimated value by multiplying the temperature dependence of the order parameter based on the ratio; In the outputting step, the temperature dependence of the order parameter subjected to the second data assimilation process is further output as the second estimated value.

3. 3. The information processing system according to claim 2, the physical property simulation includes a first-principles calculation that outputs the first estimated value at absolute zero based on a model of the substance, and a finite-temperature calculation that outputs the first estimated value at a finite temperature based on the first estimated value at absolute zero, wherein the first estimate at absolute zero includes the coupling coefficient; In the second data assimilation process, the finite temperature calculation is performed again using the coupling coefficients used in the first data assimilation process.

4. 3. The information processing system according to claim 2, In the data assimilation processing step, if the measured values ​​include at least one value of the order parameter in the material at a finite temperature other than the phase transition temperature, the temperature dependence of the order parameter included in the estimated value is further corrected based on the value of the order parameter in the material at the finite temperature.

5. 3. The information processing system according to claim 2, the first estimate further comprises a temperature dependence of anisotropy energy indicative of a magnitude of anisotropy of the order parameter; in the data assimilation step, if a difference between the coupling coefficient included in the first estimate and the coupling coefficient after the data assimilation is equal to or greater than a first coupling threshold, or if a difference between the temperature dependence of the order parameter included in the first estimate and the temperature dependence of the order parameter after the data assimilation is equal to or greater than a first variable threshold, further performing a third data assimilation process on the temperature dependence of the anisotropy energy included in the first estimate based on the second estimate; In the output step, the temperature dependence of the anisotropic energy subjected to the third data assimilation process is further output as the second estimated value.

6. 6. The information processing system according to claim 5, In the data assimilation processing step, if the measured value includes temperature dependence of the anisotropic energy, the temperature dependence of the anisotropic energy included in the estimated value is corrected based on the temperature dependence of the anisotropic energy.

7. 3. The information processing system according to claim 2, in the outputting step, if a difference between the coupling coefficient included in the first estimate and the coupling coefficient included in the second estimate is equal to or greater than a second coupling threshold, or if a difference between the temperature dependence of the order parameter included in the first estimate and the temperature dependence of the order parameter included in the second estimate is equal to or greater than a second variable threshold, performing the physical property simulation based on the second estimate to output the temperature dependence of a first damping constant; Here, the damping constant indicates the degree of damping of the microscopic order parameter at the site.

8. 8. The information processing system according to claim 7, in the data assimilation step, when the measurement value includes information on power loss in the material due to application of a field conjugate to the order parameter, a fourth data assimilation process is performed on the first damping constant based on the information on the power loss and the estimated value; In the output step, a second damping constant, which is the first damping constant subjected to the fourth data assimilation processing, is output.

9. 2. The information processing system according to claim 1, the ferromagnetic phase is a ferromagnetic phase; the order parameter is the spontaneous magnetization of the material; the coupling coefficient is a magnetic coupling coefficient between the sites, the phase transition temperature is a Curie temperature corresponding to the phase transition from the ferromagnetic phase to the paramagnetic phase, The saturation value is the saturation magnetization of the material.

10. An information processing method, comprising: A method comprising the steps of the information processing system according to any one of claims 1 to 9.

11. An information processing program, A method for causing at least one computer to execute each step of the information processing system according to any one of claims 1 to 9.

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