A crystal interface encoding method, system, terminal device and storage medium

Abstract

The application belongs to the technical field of crystal material characterization, and provides a crystal interface coding method, a system, a terminal device, and a storage medium. The method comprises the following steps: obtaining first phase basic information of a first interface corresponding to a first target object and second phase basic information of a second interface corresponding to a second target object; determining lattice information of a third interface corresponding to a third target object according to the first atomic coordinate information and the second atomic coordinate information; inputting the first phase basic information, the second phase basic information, and the lattice information into a preset interface matrix calculation formula to determine interface information of the third interface. The application can provide interface information as a unique identifier of the interface, based on which the interface of the crystal can be accurately defined, which is beneficial to subsequent analysis and storage of the interface data, and reduces the influence of redundant information on the interface data, and has strong practicability.

Description

TECHNICAL FIELD

[0001] The present application relates to the technical field of crystal material characterization, in particular to a crystal interface coding method and system, a terminal device and a storage medium. BACKGROUND

[0002] Crystallography is the cornerstone of solid science and material science. The viewpoints and knowledge proposed by crystallography for atomic structure theory can provide great help for solid science and material science. Since most of the solid substances in nature are crystals or composed of crystals, and the crystal shapes of various substances are relatively stable, crystals can be used as a basis for identifying substances.

[0003] At present, the research on the crystal interface is often difficult to accurately define the interface of the crystal due to the characteristics of the crystal itself, which is not conducive to the analysis and storage of subsequent interface data, and needs to be further improved. SUMMARY

[0004] Therefore, the embodiments of the present application provide a crystal interface coding method and system, a terminal device and a storage medium to solve the problem that it is difficult to accurately define the crystal interface in the prior art.

[0005] In a first aspect, the embodiments of the present application provide a crystal interface coding method, which comprises:

[0006] obtaining first phase basis information of a first interface corresponding to a first target object and second phase basis information of a second interface corresponding to a second target object, wherein the first phase basis information comprises first lattice constant information, first crystal plane index information, first inter-crystal axis angle information and first atomic coordinate information corresponding to the first interface, and the second phase basis information comprises second lattice constant information, second crystal plane index information, second inter-crystal axis angle information and second atomic coordinate information corresponding to the second interface;

[0007] determining lattice information of a third interface corresponding to a third target object according to the first atomic coordinate information and the second atomic coordinate information, wherein the third target object is combined by the first target object and the second target object, and the third interface is a common interface of the first target object and the second target object;

[0008] inputting the first phase basis information, the second phase basis information and the lattice information into a preset interface matrix calculation formula to determine interface information of the third interface.

[0009] Compared with the prior art, the crystal interface coding method provided in the embodiments of the present application has the beneficial effects that: the terminal device can first acquire first phase information of a first interface corresponding to a first target object and second phase information of a second interface corresponding to a second target object, then determine lattice information of a third interface corresponding to a third target object according to first atomic coordinate information in the first phase information and second atomic coordinate information in the second phase information, and finally input the first phase information, the second phase information, and the lattice information into an interface matrix calculation formula to determine interface information of the third interface. The interface information output by the interface matrix calculation formula can be used as a unique identifier of the third interface, and based on the unique interface information, the interface of the crystal can be accurately defined, which is conducive to subsequent analysis and storage processing of the interface data, and to a certain extent, solves the problem that it is difficult to accurately define the interface of the crystal.

[0010] In a second aspect, the embodiments of the present application provide a crystal interface coding system, which comprises:

[0011] An information acquisition module is configured to acquire first phase information of a first interface corresponding to a first target object and second phase information of a second interface corresponding to a second target object. The first phase information comprises first lattice constant information, first crystal face index information, first interaxial angle information, and first atomic coordinate information corresponding to the first interface. The second phase information comprises second lattice constant information, second crystal face index information, second interaxial angle information, and second atomic coordinate information corresponding to the second interface.

[0012] A lattice information determination module is configured to determine lattice information of a third interface corresponding to a third target object according to the first atomic coordinate information and the second atomic coordinate information. The third target object is formed by combining the first target object and the second target object, and the third interface is a common interface of the first target object and the second target object.

[0013] An interface information determination module is configured to input the first phase information, the second phase information, and the lattice information into a preset interface matrix calculation formula to determine interface information of the third interface.

[0014] In a third aspect, the embodiments of the present application provide a terminal device, which comprises a memory, a processor, and a computer program stored in the memory and capable of running on the processor. When the processor executes the computer program, the steps of the method according to the first aspect are implemented.

[0015] In a fourth aspect, an embodiment of the present application provides a computer readable storage medium, which stores a computer program. The computer program is executed by a processor to implement the steps of the method in the first aspect.

[0016] It can be understood that the beneficial effects of the second aspect to the fourth aspect can be referred to the related description in the first aspect, which will not be repeated here. BRIEF DESCRIPTION OF DRAWINGS

[0017] In order to more clearly illustrate the technical solutions in the embodiments of the present application, the drawings needed to be used in the embodiments or the prior art description will be briefly introduced.

[0018] Figure 1 is a flowchart of an encoding method provided by an embodiment of the present application;

[0019] Figure 2 is a flowchart of step S110 in the encoding method provided by an embodiment of the present application;

[0020] Figure 3 is a flowchart of step S400 in the encoding method provided by an embodiment of the present application;

[0021] Figure 4 is a flowchart of step S411 in the encoding method provided by an embodiment of the present application;

[0022] Figure 5 is a module block diagram of an encoding system provided by an embodiment of the present application;

[0023] Figure 6 is a schematic diagram of a terminal device provided by an embodiment of the present application. DETAILED DESCRIPTION

[0024] In the following description, specific details such as specific system structures, techniques, etc. are presented in order to thoroughly understand the embodiments of the present application. However, it should be clear to those skilled in the art that the present application can also be implemented in other embodiments without these specific details. In other cases, detailed descriptions of well-known systems, devices, circuits and methods are omitted so as not to obscure the description of the present application with unnecessary details.

[0025] In the description of the present application and the appended claims, the terms "first", "second", "third" and the like are only used to distinguish the description, and cannot be understood as indicating or implying relative importance.

[0026] Reference within the specification of this application to "one embodiment" or "some embodiments" means that a particular feature, structure, or characteristic described in connection with the embodiment is included in at least one embodiment of the application. The appearances of the phrase "in one embodiment" or "in some embodiments" in various places within specified

[0027] To illustrate the technical solutions described in the present application, the following will be described by specific embodiments.

[0028] Please refer to Figure 1 , Figure 1 is a flowchart of the encoding method of the crystal interface provided by the embodiments of the present application. In the present embodiment, the execution subject of the encoding method is a terminal device. It can be understood that the types of the terminal device include but are not limited to mobile phones, tablet computers, notebook computers, ultra-mobile personal computers (UMPC), netbooks, personal digital assistants (PDA), etc., and the specific type of the terminal device is not limited by the embodiments of the present application.

[0029] Please refer to Figure 1 , the encoding method provided by the embodiments of the present application includes but is not limited to the following steps:

[0030] In S100, the first phase basic information of the first interface corresponding to the first target object and the second phase basic information of the second interface corresponding to the second target object are acquired.

[0031] Specifically, the first target object can be any kind of crystal, and the second target object can be any other kind of crystal; since both kinds of crystals have multiple different phase interfaces, in order to facilitate understanding, the first interface represents the phase interface of the first target object, and the second interface represents the phase interface of the second target object; the terminal device can first acquire the first phase basic information of each first interface in the first target object, and then acquire the second phase basic information of each second interface in the second target object.

[0032] In some possible implementation manners, in order to facilitate subsequent accurate definition of the interface of the crystal, the first phase basic information at least includes first lattice constant information corresponding to the first interface, first plane index information, first interaxial angle information and first atomic coordinate information; meanwhile, the second phase basic information at least includes second lattice constant information corresponding to the second interface, second plane index information, second interaxial angle information and second atomic coordinate information; in another possible implementation manner, the first phase basic information can further include first name information and / or first atomic number information corresponding to the first target object, and the second phase basic information can further include second name information and / or second atomic number information corresponding to the second target object.

[0033] Exemplarily, when the first target object is an aluminum crystal and the second target object is an aluminum oxide crystal, the first name information can be "Al(111)", and the second name information can be The first lattice constant information can be "(4.05-4.05-4.05)", and the second lattice constant information can be "(4.8-4.8-13.1)"; the first plane index information can be "(1, 1, 1)", and the second plane index information can be The first interaxial angle information is "(90, 90, 90)", and the second interaxial angle information is "(90, 90, 120)"; the first atomic coordinate information represents a two-dimensional lattice composed of atoms in the first interface, and the first atomic coordinate information can be "(2.02, 0.00, 2.02), (4.05, 0.00, 0.00), (4.045, 2.02, 2.02), (6.08, 2.02, 0.00), (6.08, 4.05, 2.02), (0.00, 0.00, 4.04), (0.00, 2.02, 6.08), (2.02, 2.02, 4.05), (2.02, 4.045, 6.08)", and the second atomic coordinate information represents a two-dimensional lattice composed of atoms in the second interface, and the second atomic coordinate information can be "(4.05, 4.05, 4.05), (4.05, 6.08, 6.08), (6.08, 6.08, 4.05), (2.02, 2.02, 0.00), (6.08, 2.02, 0.00), (2.02, 4.05, 2.02), (6.08, 4.05, 2.02), (2.02, 6.08, 4.05), (6.08, 6.08, 4.05)".

[0034] In some possible implementation manners, in order to facilitate improvement of the accuracy of the data, please refer to Figure 2 , the step S100 includes but is not limited to the following steps:

[0035] In S110, a first crystal information file of the first target object and a second crystal information file of the second target object are acquired.

[0036] Specifically, the first crystal information file and the second crystal information file are both in a CIF format; the terminal device can first acquire the first crystal information file related to the first target object, and then acquire the second crystal information file related to the second target object.

[0037] In S120, the format of the first crystal information file and the second crystal information file are both converted into a POSCARD format based on preset simulation software.

[0038] Specifically, the preset simulation software can be a Vienna Ab-initio Simulation Package (VASP); after the terminal device acquires the first crystal information file and the second crystal information file, the terminal device can convert the format of the first crystal information file and the second crystal information file from the CIF format into the POSCARD format based on the VASP software, thereby improving the effectiveness of the data source and facilitating subsequent analysis work.

[0039] In S130, first phase basic information of a first interface is acquired according to the first crystal information file.

[0040] Specifically, after the terminal device acquires the first crystal information file in the POSCARD format, the terminal device can acquire first phase basic information of all first interfaces in the first target object based on the first crystal information file.

[0041] In S140, second phase basic information of a second interface is acquired according to the second crystal information file.

[0042] Specifically, after the terminal device acquires the second crystal information file in the POSCARD format, the terminal device can acquire second phase basic information of all second interfaces in the second target object based on the second crystal information file.

[0043] In S200, lattice information of a third interface corresponding to a third target object is determined according to first atomic coordinate information and second atomic coordinate information.

[0044] Specifically, the third target object is formed by combining the first target object and the second target object, and exemplarily, when the first target object is “Al(111)” and the second target object is “Al(111)”, the third target object is “Al(111)2x Al(111)”, and the third interface is “Al(111)2x Al(111)”. The third target object is "Al(111-Al2O3(011"; and the third interface is the common interface of the first target object and the second target object, i.e., the interface between the first target object and the second target object.

[0045] Exemplarily, when the first atomic coordinate information is "(2.02, 0.00, 2.02), (4.05, 0.00, 0.00), (4.045, 2.02, 2.02), (6.08, 2.02, 0.00), (6.08, 4.05, 2.02), (0.00, 0.00, 4.04), (0.00, 2.02, 6.08), (2.02, 2.02, 4.05), (2.02, 4.045, 6.08)", and the second atomic coordinate information is "(4.05, 4.05, 4.05), (4.05, 6.08, 6.08), (6.08, 6.08, 4.05), (2.02, 2.02, 0.00), (6.08, 2.02, 0.00), (2.02, 4.05, 2.02), (6.08, 4.05, 2.02), (2.02, 6.08, 4.05), (6.08, 6.08, 4.05)", the lattice information of the third interface can be "(2.02, 0.00, 2.02), (4.05, 0.00, 0.00), (4.045, 2.02, 2.02), (6.08, 2.02, 0.00), (6.08, 4.05, 2.02), (0.00, 0.00, 4.04), (0.00, 2.02, 6.08), (2.02, 2.02, 4.05), (2.02, 4.045, 6.08), (4.05, 4.05, 4.05), (4.05, 6.08, 6.08), (6.08, 6.08, 4.05), (2.02, 2.02, 0.00), (6.08, 2.02, 0.00), (2.02, 4.05, 2.02), (6.08, 4.05, 2.02), (2.02, 6.08, 4.05), (6.08, 6.08, 4.05)".

[0046] In a possible implementation, the lattice information of the third interface can further include the atomic number combination information of the third target object and the interface atomic number information of the third interface. Exemplarily, when the third target object is the atomic number combination information can be "4-30", and the interface atomic number information can be "12-6".

[0047] In S300, the first phase basic information, the second phase basic information and the lattice information are input into a preset interface matrix calculation formula to determine the interface information of the third interface.

[0048] Specifically, after the terminal device determines the dot matrix information of the third interface corresponding to the third target object, the terminal device can input the first phase basic information, the second phase basic information and the dot matrix information into a preset interface matrix calculation formula, so as to determine the interface information that can be used as the unique identification of the third interface. Based on the interface information, the interface of the crystal can be accurately defined, and only the effective information in the crystal research is retained, and the adverse effects of redundant information on the interface data are reduced.

[0049] In some possible implementation manners, in order to provide a data that can be used as the unique identification of the interface of the crystal, thereby facilitating subsequent analysis and storage of the interface data, the interface matrix calculation formula can be as follows:

[0050]

[0051] In the formula, Matrix_C(A, B) represents the interface information of the third interface; Name C represents the chemical formula name of the third target object; Number C-Atoms represents the first atomic number combination of the third target object; Number C-Interface represents the second atomic number combination of the third interface; P_meter A represents the first lattice constant information corresponding to the first target object; P_meter B represents the second lattice constant information corresponding to the second target object; S_Angle A represents the first interaxial angle information of the first interface; S_Angle B represents the second interaxial angle information of the second interface; Lattice C represents the dot matrix information of the third interface, which can be combined by the first atomic coordinate information and the second atomic coordinate information.

[0052] Exemplarily, based on the various examples proposed above about Al(111) and the output result of the interface matrix calculation formula can be as follows:

[0053]

[0054] The output result of the interface matrix calculation formula can be used as the effective unique identification of the third interface corresponding to the third target object, and through re-encoding of the interface structure, errors in subsequent material analysis and data storage are reduced, and an effective way for interface classification is provided.

[0055] In some possible implementation manners, in order to facilitate data analysis on the third target object by means of big data technology in actual application, refer to Figure 3 After step S300, the method further includes but is not limited to the following steps:

[0056] In S400, a plurality of interface difference values are generated according to the interface information corresponding to the third target object and the historical interface information corresponding to the historical target object in the preset data repository.

[0057] Specifically, in actual application, since the environmental temperature or external stress can affect the physical properties of the crystal, for the third target object combined by the first target object and the second target object in different environments, the interface information of the third target object can have a large change; therefore, the preset data repository can store a plurality of storage objects and the corresponding interface information of the storage objects, the storage objects including the historical target object, the chemical formula name of the historical target object being consistent with the chemical formula name of the third target object, and the historical interface information representing the interface information corresponding to the historical target object.

[0058] Without loss of generality, the terminal device can compare the interface information corresponding to the third target object with the historical interface information corresponding to the historical target object one by one to generate a plurality of interface difference values.

[0059] In S410, the plurality of interface difference values are compared with the preset difference threshold value respectively.

[0060] Specifically, the specific value of the difference threshold value can be adjusted according to the number of historical interface information in the data repository, when the number of historical interface information is small, the difference threshold value can be appropriately small, when the number of historical interface information is large, the difference threshold value can be appropriately large; after the terminal device generates a plurality of interface difference values, the terminal device can compare the plurality of interface difference values with the difference threshold value respectively.

[0061] In S420, if the plurality of interface difference values are all greater than or equal to the difference threshold value, the interface information is retained.

[0062] Specifically, after the terminal device compares the interface difference value with the difference threshold value respectively, if the plurality of interface difference values are all greater than or equal to the difference threshold value, it proves that the interface information corresponding to the third target object is greatly different from or completely inconsistent with the historical interface information, and has high research value, so the interface information is retained.

[0063] In S430, the interface information is uploaded to the data repository.

[0064] Specifically, after the terminal device retains the interface information, the terminal device can upload the interface information to the data repository, and bind the interface information corresponding to the third target object with the historical target object, so as to enrich the related data of the storage object of the same chemical formula name.

[0065] In some possible implementation manners, in order to meet more actual application requirements, refer to Figure 4 After step S410, the method further includes but is not limited to the following steps:

[0066] In S411, if there is at least one interface difference value less than the difference threshold value, the interface information is deleted.

[0067] Specifically, after the terminal device compares the interface difference value with the difference threshold value respectively, if there is at least one interface difference value less than the difference threshold value, it is proved that similar or same data has been stored in the data repository, that is, the interface information corresponding to the third target object is relatively small or completely consistent with the historical interface information, and the research value is relatively low, so the interface information is deleted.

[0068] In S412, the deletion times information is generated according to the deletion times of the interface information.

[0069] Exemplarily, in the case of fifty times of combination of the first target object specifically being "Al(111)" and the second target object specifically being , the application case generates fifty third target objects specifically being ; if the interface information corresponding to forty-three third target objects of the fifty third target objects is deleted, the terminal device can generate the deletion times information according to the deletion times specifically being forty-three times, and at the same time, the terminal device can store the other seven interface information into the data repository.

[0070] In S413, the effective interface quantity information is determined according to the quantity of the historical interface information.

[0071] Exemplarily, when the historical target object specifically being in the data repository has twenty historical interface information, the terminal device can determine the effective interface quantity information according to the quantity of the historical interface information specifically being twenty.

[0072] In S414, the deletion times information and the effective interface quantity information are input into a preset research value degree calculation formula, and the research value degree of the third target object is determined.

[0073] Specifically, after the terminal device determines the valid interface quantity information, the terminal device can input the deletion times information and the valid interface quantity information into a preset research value degree calculation formula to determine the research value degree of the third target object; if the research value degree of the third target object is high, it indicates that a large amount of research is worth being carried out on the third target object and the research results obtained by the large amount of research have high value degrees.

[0074] In some possible implementation manners, in order to improve the accuracy of the research value degree, the research value degree calculation formula is as follows:

[0075]

[0076] In the formula, δ C is the research value degree; a is a preset first weight value, a [2, 4], in a possible implementation manner, when the deletion times of the interface information is greater than ten times, a can be 2, and when the deletion times of the interface information is greater than sixty times, a can be 4; Number Delete is the deletion times information; β is a preset second weight value, β [1, 3], in a possible implementation manner, when the valid interface quantity information is less than five, β can be 1, and when the valid interface quantity information is greater than thirty times, β can be 3; Number Interface is the valid interface quantity information; K is a preset correction value, and the specific value of the correction value can be selected according to the specific external environment in actual application.

[0077] In S415, the research value degree is uploaded to the data storage library.

[0078] Specifically, after the terminal device determines the research value degree of the third target object, the terminal device can upload the research value degree to the data storage library, and bind the research value degree with the historical target object or update the research value degree of the historical target object.

[0079] The implementation principle of the encoding method of the crystal interface in the embodiment of the application is as follows: the terminal device can first acquire first phase basic information of a first interface from a first crystal information file, then acquire second phase basic information of a second interface from a second crystal information file, then determine lattice information of a third interface corresponding to a third target object according to first atomic coordinate information in the first phase basic information and second atomic coordinate information in the second phase basic information, and then input the first phase basic information, the second phase basic information and the lattice information into an interface matrix calculation formula to output interface information that can be used as a unique identifier of the third interface. Based on the unique interface information, the interface of the crystal can be accurately defined, the error of subsequent material analysis and data storage is reduced, the adverse effects of redundant information are reduced, and the classification of the interface is facilitated.

[0080] It should be noted that the size of the serial number of each step in the above embodiment does not mean the order of execution, and the execution order of each process should be determined according to its function and inherent logic, and should not constitute any limitation on the implementation process of the embodiments of the present application.

[0081] Embodiments of the present application also provide a crystal interface coding system, for ease of illustration, only the part related to the present application is shown, as shown in the figure, the system 50 comprises: Figure 5

[0082] The information acquisition module 51 is configured to acquire first phase basis information of a first interface corresponding to a first target object and second phase basis information of a second interface corresponding to a second target object, wherein the first phase basis information comprises first lattice constant information, first crystal plane index information, first interaxial angle information and first atomic coordinate information corresponding to the first interface, and the second phase basis information comprises second lattice constant information, second crystal plane index information, second interaxial angle information and second atomic coordinate information corresponding to the second interface;

[0083] The lattice information determination module 52 is configured to determine lattice information of a third interface corresponding to a third target object according to the first atomic coordinate information and the second atomic coordinate information, wherein the third target object is combined by the first target object and the second target object, and the third interface is a common interface of the first target object and the second target object;

[0084] The interface information determination module 53 is configured to input the first phase basis information, the second phase basis information and the lattice information into a preset interface matrix calculation formula to determine interface information of the third interface.

[0085] Optionally, the information acquisition module 51 comprises:

[0086] The information file acquisition submodule is configured to acquire a first crystal information file of the first target object and a second crystal information file of the second target object, wherein the first crystal information file and the second crystal information file are in CIF format;

[0087] The format conversion submodule is configured to convert the formats of the first crystal information file and the second crystal information file into POSCARD format based on a preset simulation software;

[0088] The first phase basis information acquisition submodule is configured to acquire the first phase basis information of the first interface according to the first crystal information file;

[0089] The second phase basis information acquisition submodule is configured to acquire the second phase basis information of the second interface according to the second crystal information file.

[0090] Optionally, the interface matrix calculation formula is:​

[0091]

[0092] wherein Matrix_C(A, B) is the interface information of the third interface; Name C is the chemical name of the third target object; Number C-Atoms is the first atomic number combination of the third target object; Number C-Interface is the second atomic number combination of the third interface; P_meter A is the first lattice constant information corresponding to the first target object; P_meter B is the second lattice constant information corresponding to the second target object; S_Angle A is the first interaxial angle information corresponding to the first interface; S_Angle B is the second interaxial angle information corresponding to the second interface; Lattice C is the lattice information corresponding to the third interface.

[0093] Optionally, the system 50 comprises:

[0094] an interface difference value generation module configured to generate a plurality of interface difference values according to the interface information of the third target object and the historical interface information of the historical target object in the preset data storage library, wherein the chemical name of the third target object is consistent with that of the historical target object;

[0095] an interface difference value comparison module configured to respectively compare the plurality of interface difference values with the preset difference threshold value;

[0096] an interface information retention module configured to retain the interface information if the plurality of interface difference values are greater than or equal to the difference threshold value;

[0097] an interface information uploading module configured to upload the interface information to the data storage library.

[0098] Optionally, the system 50 comprises:

[0099] an interface information deletion module configured to delete the interface information if there is at least one interface difference value less than the difference threshold value;

[0100] a deletion times information generation module configured to generate deletion times information according to the deletion times of the interface information;

[0101] an effective interface quantity information determination module configured to determine effective interface quantity information according to the quantity of the historical interface information;

[0102] The research value degree determining module is configured to input the deletion times information and the effective interface quantity information into a preset research value degree calculation formula to determine the research value degree of the third target object.

[0103] The research value degree uploading module is configured to upload the research value degree to a data storage library.

[0104] Optionally, the research value degree calculation formula is as follows:

[0105]

[0106] In the formula, δ C is the research value degree, a is a preset first weight value, a∈[2, 4], Number Delete is the deletion times information, β is a preset second weight value, β∈[1, 3], Number Interface is the effective interface quantity information, and K is a preset correction value.

[0107] It should be noted that the information interaction and execution process between the above modules are based on the same concept as the method embodiments of the present application, and the specific functions and technical effects brought by the modules can be referred to the method embodiments part, which will not be repeated here.

[0108] The present application also provides a terminal device, as shown in Figure 6 The terminal device 60 of this embodiment includes a processor 61, a memory 62, and a computer program 63 stored in the memory 62 and executable on the processor 61. The processor 61 implements the steps in the traffic processing method embodiments when executing the computer program 63, for example Figure 1 The steps S100 to S300 shown in the figure; or the processor 61 implements the functions of the modules in the above-described apparatus when executing the computer program 63, for example Figure 5 The functions of the modules 51 to 53 shown in the figure.

[0109] The terminal device 60 can be a desktop computer, a notebook, a palm computer, and a cloud server, etc. The terminal device 60 includes but is not limited to the processor 61 and the memory 62. Those skilled in the art can understand that Figure 6 The terminal device 60 is only an example and does not constitute a limitation on the terminal device 60, which can include more or fewer components than shown, or combine certain components, or different components, for example, the terminal device 60 can also include an input / output device, a network access device, a bus, etc.

[0110] The processor 61 can be a central processing unit (CPU), and can also be other general-purpose processors, digital signal processors (DSP), application specific integrated circuits (ASIC), field-programmable gate arrays (FPGA) or other programmable logic devices, discrete gates or transistor logic, discrete hardware components, etc. The general-purpose processor can be a microprocessor or the processor can also be any conventional processor.

[0111] The memory 62 can be an internal storage unit of the terminal device 60, for example, a hard disk or a memory of the terminal device 60, and can also be an external storage device of the terminal device 60, for example, a plug-in hard disk, a smart media card (SMC), a secure digital (SD) card, a flash card, etc. Further, the memory 62 can include both the internal storage unit and the external storage device of the terminal device 60, and can also store the computer program 63 and other programs and data required by the terminal device 60, and can be used to temporarily store data that has been output or will be output.

[0112] An embodiment of the present application further provides a computer readable storage medium storing a computer program, and the computer program can implement the steps of the above various method embodiments when executed by a processor. The computer program includes computer program code, which can be in a form of source code, object code, executable file or some intermediate form, etc. The computer readable medium can include any entity or device capable of carrying the computer program code, recording medium, U disk, mobile hard disk, magnetic disk, optical disk, computer memory, read-only memory (ROM), random access memory (RAM), electrical carrier signal, telecommunication signal and software distribution medium, etc.

[0113] The above are preferred embodiments of the present application, and are not intended to limit the protection scope of the present application, and therefore: any equivalent changes made according to the methods, principles and structures of the present application should be covered within the protection scope of the present application.

Claims

1. A method for encoding a crystal interface, characterized in that: The method comprises: Acquire first physical phase basic information of a first interface corresponding to a first target object and second physical phase basic information of a second interface corresponding to a second target object, wherein the first physical phase basic information includes first lattice constant information, first crystal plane index information, first crystal axis angle information, and first atomic coordinate information corresponding to the first interface, and the second physical phase basic information includes second lattice constant information, second crystal plane index information, second crystal axis angle information, and second atomic coordinate information corresponding to the second interface; determining, based on the first atomic coordinate information and the second atomic coordinate information, lattice information of a third interface corresponding to a third target object, wherein the third target object is formed by combining the first target object and the second target object, and the third interface is a common interface between the first target object and the second target object; The first physical phase basic information, the second physical phase basic information and the lattice information are input into a preset interface matrix calculation formula to determine the interface information of the third interface.

2. The method according to claim 1, characterized in that The acquiring of first physical phase basic information of a first interface corresponding to a first target object and second physical phase basic information of a second interface corresponding to a second target object includes: Acquire a first crystal information file of the first target object and a second crystal information file of the second target object, wherein the first crystal information file and the second crystal information file are in CIF format; Converting the formats of the first crystal information file and the second crystal information file into POSCARD format based on preset simulation software; Acquire first physical phase basic information of the first interface according to the first crystal information file; The second phase basic information of the second interface is obtained according to the second crystal information file.

3. The method according to claim 1, characterized in that The interface matrix calculation formula is: Wherein, Matrix_C(A,B) is the interface information of the third interface; Name C is the chemical formula name of the third target object; Number C-Atoms is the first atom number combination of the third target object; Number C-Interface is the second atomic number combination of the third interface; P_meter A The first lattice constant information corresponding to the first target object; P_meter B The second lattice constant information corresponding to the second target object; S_Angle A S_Angle is the angle information between the first crystal axes corresponding to the first interface; B Lattice is the angle information between the second crystal axes corresponding to the second interface; C The dot matrix information corresponding to the third interface.

4. The method according to claim 1, wherein After inputting the first physical phase basic information, the second physical phase basic information, and the lattice information into a preset interface matrix calculation formula to determine the interface information of the third interface, the method further includes: generating a plurality of interface difference values ​​according to the interface information corresponding to the third target object and historical interface information corresponding to historical target objects in a preset data repository, wherein the chemical formula names of the third target object and the historical target object are consistent; Comparing the plurality of interface difference values ​​with preset difference thresholds respectively; If the multiple interface difference values ​​are all greater than or equal to the difference threshold, retaining the interface information; Upload the interface information to the data repository.

5. The method according to claim 4, characterized in that After respectively comparing the multiple interface difference values ​​with the preset difference thresholds, the method further includes: If there is at least one interface difference value that is smaller than the difference threshold, deleting the interface information; Generate deletion count information according to the number of deletions of the interface information; Determine the effective interface quantity information according to the quantity of the historical interface information; Inputting the deletion count information and the valid interface quantity information into a preset research value calculation formula to determine the research value of the third target object; Uploading the research value to the data repository.

6. The method according to claim 5, characterized in that The research value calculation formula is: Where, δ C is the research value; α is the preset first weight value, α∈[2,4]; Number Delete is the deletion times information; β is the preset second weight value, β∈[1,3]; Number Interface is the effective interface quantity information; K is the preset correction value.

7. A crystal interface coding system, characterized in that: The system comprises: An information acquisition module is used to acquire first physical phase basic information of a first interface corresponding to a first target object and second physical phase basic information of a second interface corresponding to a second target object, wherein the first physical phase basic information includes first lattice constant information, first crystal plane index information, first crystal axis angle information, and first atomic coordinate information corresponding to the first interface, and the second physical phase basic information includes second lattice constant information, second crystal plane index information, second crystal axis angle information, and second atomic coordinate information corresponding to the second interface; a lattice information determination module configured to determine lattice information of a third interface corresponding to a third target object based on the first atomic coordinate information and the second atomic coordinate information, wherein the third target object is formed by combining the first target object and the second target object, and the third interface is a common interface between the first target object and the second target object; Interface information determination module: used to input the first physical phase basic information, the second physical phase basic information and the lattice information into a preset interface matrix calculation formula to determine the interface information of the third interface.

8. A terminal device comprising a memory, a processor, and a computer program stored in the memory and executable on the processor, wherein: When the processor executes the computer program, the steps of the method according to any one of claims 1 to 6 are implemented.

9. A computer-readable storage medium storing a computer program, characterized in that: When the computer program is executed by a processor, the steps of the method according to any one of claims 1 to 6 are implemented.

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