Method for forming digital twin electrode structure reflecting electrode manufacturing process

Abstract

A method of forming a digital twin electrode structure reflecting an electrode manufacturing process is disclosed, comprising modeling the digital twin electrode structure by simulating a process of manufacturing an electrode as a target of the digital twin electrode, and comparing its mechanical and / or electrical characteristics with the mechanical and / or electrical characteristics of the target electrode, therefore, the consistency of the digital twin electrode structure is improved. The method includes collecting parameters of a target electrode structure, simulating material behavior using a discrete element method, and improving the model using a finite volume method to bind particle contact interface characteristics. A system for forming and validating a digital twin electrode structure includes a validation module that compares characteristics of a digital twin electrode to a target electrode and a feedback mechanism that adjusts a model based on deviations identified during the validation process to ensure a close match between the digital twin electrode and the target electrode structure.

Description

TECHNICAL FIELD

[0001] The present disclosure relates to a method of forming a digital twin electrode structure reflecting an electrode manufacturing process. More specifically, the present disclosure relates to a method of forming a digital twin electrode structure reflecting an electrode manufacturing process, in which a digital twin electrode structure can be modeled by simulating a process of manufacturing an electrode as a digital twin target, and its mechanical and / or electrical characteristics can be compared with those of the target electrode, thereby improving consistency of the digital twin electrode structure. BACKGROUND

[0002] Lithium secondary batteries are widely used from small devices to large energy storage systems. Recently, the secondary battery market is growing strongly due to the explosive growth of the electric vehicle market. However, the conventional lithium secondary batteries used in electric vehicles have a risk of fire and explosion due to the flammability of a liquid electrolyte containing an organic solvent. In response, extensive research is being conducted on all-solid-state batteries that replace the liquid electrolyte with a solid electrolyte to improve safety.

[0003] Lithium secondary batteries are generally configured to include a positive electrode, a negative electrode, a separator, and an electrolyte solution, and all-solid-state batteries are configured to include a positive electrode, a negative electrode, and a solid electrolyte layer. Here, the electrode including the positive electrode and the negative electrode is a component that directly or indirectly affects the performance of the secondary battery. Therefore, a great deal of effort has been made to analyze the electrochemical behavior of the battery and improve its performance through various experiments on key factors such as active materials, binders, electrolytes, and conductive materials present in the electrode.

[0004] Since the electrochemical behavior and performance of the secondary battery are determined by various variables, it is expensive and time-consuming to manufacture examples and comparative examples into actual objects under the condition that the variables are changed individually and to perform experiments using the same. To address this problem, key performance factors can be quantified and visually analyzed by forming a digital twin of the electrode.

[0005] Here, "digital twin" refers to a technology of creating the same object (twin) as a real object in a virtual space and verifying the object through various simulations. This digital twin work is performed through 3D formation or 3D reconstruction. Here, 3D formation is a quick and simple method of forming a three-dimensional model considering the type, inclusion rate, particle size, etc. of the basic material input by the user, but has a problem of low similarity (consistency) with the real object.

[0006] 3D reconstruction is a method of forming a three-dimensional model by thinly slicing a sample to form a plurality of samples and taking side images (tomographic images) of each sample and then interpolating, which makes it possible to form a three-dimensional model having high similarity to the actual sample. However, this method is problematic because a large amount of time is required to manufacture the samples, take the samples, and produce the images, and also because the cross sections of the samples and the cross sections of the sample do not match each other due to deformation of the sample applied during the formation of the samples by slicing the sample. SUMMARY

[0007] The present disclosure was made in consideration of the problems encountered in the related art, and the object of the present disclosure is to provide a method of forming a digital twin electrode structure to quantify key factors that can directly or indirectly affect battery performance, analyze defect characteristics in a battery, and analyze electrochemical performance thereof.

[0008] Specifically, the present disclosure aims to simulate a method of manufacturing a target electrode in a process of forming a digital twin electrode structure, thereby improving consistency therebetween.

[0009] The object of the present disclosure is not limited to the foregoing. The object of the present disclosure will be clearly understood by the following description, and is achieved by the means described in the claims and combinations thereof.

[0010] Embodiments of the present disclosure provide a method of forming a digital twin electrode structure, comprising: collecting information about a target electrode structure; modeling a virtual electrode structure by inputting the collected information about the target electrode structure into a first program designed to simulate a process of manufacturing the target electrode structure; and modeling a twin electrode structure reflecting contact interface information of particles in the virtual electrode structure by inputting information about the modeled virtual electrode structure into a second program.

[0011] In further aspects, a method of forming a digital twin electrode structure is provided, the method comprising: a) collecting information about a target electrode structure; b) modeling a virtual electrode structure by inputting the collected information about the target electrode structure into a first program designed to simulate a process of manufacturing the target electrode structure; and c) modeling a twin electrode structure by inputting information from the virtual electrode structure into a second program to simulate particle interactions at a contact interface.

[0012] In these methods, the modeling can be performed by a processor.

[0013] In embodiments, the information about the target electrode structure can include information about materials constituting the target electrode structure.

[0014] Further, the information about the target electrode structure can include design information for manufacturing the target electrode structure.

[0015] In an embodiment, the first program can include a program capable of analyzing and simulating movement of particles using a discrete element method.

[0016] In an embodiment, modeling the virtual electrode structure can include a mixing step of mixing materials constituting the virtual electrode structure.

[0017] Further, modeling the virtual electrode structure can include a pressing step of applying a predetermined pressure to the materials constituting the virtual electrode structure.

[0018] In an embodiment, the second program can include a program capable of analyzing and simulating contact interface information of particles using a finite volume method.

[0019] In an embodiment, modeling the twin electrode structure can include modifying modeling of the twin electrode structure by comparing CT (Computed Tomography) images of the twin electrode structure and the target electrode structure.

[0020] In an embodiment, the method can further include a verification step of comparing characteristics of the modeled twin electrode structure and the target electrode structure.

[0021] Accordingly, the verification step can be performed in such a manner that if consistency between the characteristics of the target electrode structure and the characteristics of the twin electrode structure is greater than or equal to a preset value, modeling of the twin electrode structure is ended, and if the consistency is less than the preset value, correction is performed so that the characteristics of the twin electrode structure become equal to the characteristics of the target electrode structure, and then the verification step is performed again.

[0022] In an embodiment, the preset consistency can be 85% to 100%.

[0023] In an embodiment, the correction can include changing at least one selected from the group consisting of connectivity between materials in the twin electrode structure, a distribution ratio, surface modification of the materials, and characteristics of by-products.

[0024] In an embodiment, the verification step can include verifying mechanical characteristics of the twin electrode structure.

[0025] Accordingly, the mechanical characteristics can include plastic characteristics and elastic characteristics.

[0026] In an embodiment, the verification step can include verifying electrical characteristics of the twin electrode structure.

[0027] Accordingly, the electrical characteristics can include at least one of effective ionic conductivity (σ ion ) or effective electronic conductivity (σ e ).

[0028] In another aspect, there is provided a method of forming a digital twin electrode structure that mirrors the manufacturing and performance characteristics of an analog electrode, the method comprising: a) collecting parameters specific to a target electrode structure; b) generating a 3D virtual model of the target electrode structure by incorporating the parameters; c) replicating material behavior using a discrete element method to simulate the manufacturing process of the target electrode structure during the formation of the virtual electrode structure; d) refining the virtual model by incorporating contact interface properties of the particles using a finite volume method; and e) forming the digital twin electrode structure that reflects the properties of the target electrode structure.

[0029] In some aspects of the method, the step of simulating the manufacturing process of the target electrode structure can comprise: a) adjusting the mixing step that mixes the materials that constitute the virtual electrode structure based on the material properties of the target electrode structure; and b) optimizing the pressing step by applying varying pressure to different regions of the virtual electrode structure to apply a predetermined pressure to the materials that constitute the virtual electrode structure to account for differences in material distribution and structural properties.

[0030] In other aspects, there is provided a system for forming and validating a digital twin electrode structure, the system comprising: a) a first program configured to model a virtual electrode structure by simulating the manufacturing process of a target electrode structure using a discrete element method; b) a second program configured to model a twin electrode structure by simulating particle contact interfaces using a finite volume method; and c) a validation module configured to compare the properties of the twin electrode structure to the properties of the target electrode structure. In aspects, the system suitably comprises a feedback mechanism that adjusts the virtual electrode model based on deviations identified during validation.

[0031] As discussed, the method and system suitably comprise the use of a controller or processor. BRIEF DESCRIPTION OF DRAWINGS

[0032] The above and other features of the present disclosure will now be described in detail with reference to some exemplary embodiments of the present disclosure, illustrated in the accompanying drawings, wherein:

[0033] Figure 1 is a flowchart illustrating a process of forming a digital twin electrode structure according to an embodiment of the present disclosure;

[0034] Figure 2 shows a mixing step according to the present disclosure;

[0035] Figure 3 shows the application of linear pressure in a pressing step according to the present disclosure;

[0036] Figure 4showing application of surface pressure in a pressing step according to the present disclosure;

[0037] Figure 5 showing modeling of a twin electrode structure according to the present disclosure;

[0038] Figure 6 and Figure 7 showing a process of calculating W pl / W tot values by microindentation testing of a target electrode structure;

[0039] Figure 8 showing a process of calculating W pl / W tot values by performing microindentation simulation of a twin electrode structure using a first program;

[0040] Figure 9 showing a process of obtaining an effective ionic conductivity (σ ion ) of a twin electrode structure using a second program;

[0041] Figure 10 showing a process of comparing the effective ionic conductivity of the twin electrode structure and the effective ionic conductivity of a target electrode structure;

[0042] Figure 11 showing a process of obtaining an effective electronic conductivity (σ e ) of a twin electrode structure using a second program; and

[0043] Figure 12 showing a process of comparing the effective electronic conductivity of the twin electrode structure and the effective electronic conductivity of a target electrode structure. DETAILED DESCRIPTION

[0044] The above and other objects, features and advantages of the present disclosure will become more apparent from the following preferred embodiments when taken in conjunction with the accompanying drawings, in which like reference characters refer to the like elements throughout the drawings. The present disclosure is not limited to the embodiments disclosed herein and can be modified in various forms. The embodiments are provided to thoroughly explain the present disclosure and to fully convey the spirit of the present disclosure to those skilled in the art.

[0045] Throughout the drawings, like reference numerals will be used to indicate like or similar elements. For the purpose of clarity, the sizes of structures are not to scale in the figures. It will be understood that, although the terms “first,” “second,” etc. can be used herein to describe various elements, these elements should not be limited by these terms. These terms are only used to distinguish one element from another. For example, a “first” element could be termed a “second” element without departing from the scope of the present disclosure. Similarly, a “second” element could be termed a “first” element. As used herein, the singular forms “a,” “an,” and “the” are intended to include the plural forms as well, unless the context clearly indicates otherwise.

[0046] It will be further understood that the terms “comprise,” “include,” “have,” and the like, when used in this specification, specify the presence of stated features, integers, steps, operations, elements, components, or combinations thereof, but do not preclude the presence or addition of one or more other features, integers, steps, operations, elements, components, or combinations thereof. Also, it will be understood that when an element such as a layer, film, region, or plate is referred to as being “on” another element, it can be directly on the other element or intervening elements can also be present. Similarly, it will be understood that when an element such as a layer, film, region, or plate is referred to as being “under” another element, it can be directly under the other element, or intervening elements can also be present.

[0047] Unless otherwise specified, all numerical values, values, and / or expressions representing quantities of components, reaction conditions, polymer compositions, and mixtures used herein should be understood as being modified in all instances by the term “about,” unless otherwise indicated. Furthermore, unless otherwise indicated, the disclosure of numerical ranges is a disclosure of all numerical values and sub-ranges encompassed therein, unless the context clearly indicates otherwise. Additionally, when a range is disclosed, the disclosure is also to be understood to include individual values and sub-ranges within the range, unless the context clearly indicates otherwise.

[0048] In this specification, when a range is described for a variable, it will be understood that the variable includes all values of the endpoints described in the range. For example, a range of “5 to 10” should be understood to include any sub-range, such as 6 to 10, 7 to 10, 6 to 9, 7 to 9, etc., as well as individual values of 5, 6, 7, 8, 9, and 10, and should also be understood to include any value between the valid integers in the range, such as 5.5, 6.5, 7.5, 5.5 to 8.5, 6.5 to 9, etc. Further, for example, a range of “10% to 30%” will be understood to include sub-ranges, such as 10% to 15%, 12% to 18%, 20% to 30%, etc., as well as all integers, including values of 10%, 11%, 12%, 13%, etc. up to 30%, and will also be understood to include any value between the valid integers in the range, such as 10.5%, 15.5%, 25.5%, etc.

[0049] It should be understood that the term “vehicle” or “of a vehicle” or other similar terms as used herein includes a broad class of motor vehicles, such as passenger cars, including sport utility vehicles (SUVs), buses, trucks, various commercial vehicles, watercraft (including various boats and ships), aircraft, etc., and includes hybrid vehicles, electric vehicles, plug-in hybrid electric vehicles, hydrogen-powered vehicles, and other alternative fuel vehicles (e.g., SUVs). Fuels derived from sources other than petroleum). As referred to herein, a hybrid vehicle is a vehicle having two or more sources of power, for example, a gasoline-powered and electric vehicle.

[0050] The terminology used herein is for the purpose of describing particular embodiments only and is not intended to be limiting of the present disclosure. As used herein, the singular forms “a,” “an” and “the” are intended to include the plural forms as well, unless the context clearly indicates otherwise. These terms are merely used to distinguish one component from another component and are not limited to the nature, order or sequence of the components. As used herein, the term “and / or” includes any and all combinations of one or more of the associated listed items. In addition, the terms “unit,” “-er,” “-or,” and “module” described in the specification mean a unit for processing at least one function and operation, and can be implemented by hardware components or software components and combinations thereof.

[0051] Although example embodiments are described as using a plurality of units to perform example processes, it should be understood that example processes can also be performed by one or more modules. In addition, it should be understood that the term controller / control unit refers to a hardware device that includes a memory and a processor and is specifically programmed to perform the processes described herein. The memory is configured to store modules, and the processor is specifically configured to execute the modules to perform one or more processes described further below.

[0052] Further, the control logic of the present disclosure can be embodied as a non-transitory computer readable medium on a computer readable medium containing executable program instructions executed by a processor, controller, or the like. Examples of computer readable media include, but are not limited to, ROM, RAM, compact discs (CD)-ROM, tape, floppy disks, flash memories, smart cards, and optical data storage devices. The computer readable medium can also be distributed over network coupled computer systems so that the computer readable medium is stored in a distributed fashion throughout the system, for example, over a

[0053] Unless specifically stated or otherwise clear from context, as used herein, the term "about" is understood not to require exact numerical precision, but rather allows for normal tolerances and variations within the bounds of experimental error or within the bounds of what is perceived as equivalent in the art. "About" can be understood to be within 10%, 9%, 8%, 7%, 6%, 5%, 4%, 3%, 2%, 1%, 0.5%, 0.1%, 0.05%, or 0.01% of the stated value. Unless the context clearly suggests otherwise, all numerical values provided herein are modified by the term "about."

[0054] Embodiments of the present disclosure relate to a method of forming a digital twin electrode structure, including: collecting information about a target electrode structure; modeling a virtual electrode structure by inputting the collected information about the target electrode structure to a first program designed to simulate a process of manufacturing the target electrode structure; and modeling a twin electrode structure reflecting contact interface information of particles in the virtual electrode structure by inputting information about the modeled virtual electrode structure to a second program.

[0055] The following is a detailed explanation of each step.

[0056] Collecting information about a target electrode structure

[0057] First, information about a target electrode structure can be collected. The "target electrode structure" can refer to a portion of an electrode that is a target for analyzing electrochemical behavior and simulating electrochemical behavior through digital twinning.

[0058] Here, the target electrode can include a negative electrode or a positive electrode. The negative electrode or the positive electrode can contain materials commonly used in the art as components.

[0059] In general, the target electrode can include an active material capable of reversibly storing and releasing lithium, an electrolyte for improving lithium ion conductivity of the electrode, a binder for physically binding components in the electrode, a conductive material for improving electronic conductivity of the electrode, and the like.

[0060] For example, when the target electrode is a negative electrode, it can include a negative active material, and when the electrode is a positive electrode, it can include a positive active material. Also, when the target electrode is used in a lithium ion battery, it can include an electrolyte solution in which an active material is impregnated, and when the target electrode is a composite electrode used in a full solid-state battery, it can include a solid electrolyte. The above components can be selectively included as necessary.

[0061] In one embodiment, the information about the target electrode structure can include information about materials constituting the target electrode structure. For example, such information can include information about an active material, a binder, a conductive material, or an electrolyte constituting the target electrode structure. Here, the information about the materials can include the type, particle diameter, particle diameter distribution, Young's modulus, ionic conductivity, electronic conductivity, particle shape, etc. of the active material, the binder, the electrolyte, the conductive material, etc.

[0062] Further, the information about the target electrode structure can include design information for manufacturing the target electrode structure. Generally, in order to manufacture an electrode, not only information about components constituting the electrode is required, but also information about the ratio between them when a mixing process is performed, the rotation speed, time and temperature, and the application method of the pressure and the strength of the pressure when a pressing process is performed.

[0063] Accordingly, the design information can include at least the ratio between the materials constituting the target electrode structure, information required to perform a mixing process, and information required to perform a pressing process.

[0064] Modeling a virtual electrode structure

[0065] In this step, the virtual electrode structure can be modeled by inputting the collected information about the target electrode structure to a first program designed to simulate a process of manufacturing the target electrode structure.

[0066] A detailed description of the general method of manufacturing the target electrode is as follows. An electrode slurry is prepared by adding materials constituting the target electrode to a solvent and then mixing. Thereafter, an electrode layer is formed by coating the electrode slurry onto a substrate or an electrode current collector, and then pressing and drying. In short, the general method of manufacturing the target electrode involves a mixing step and / or a pressing step.

[0067] Accordingly, the "process of manufacturing the target electrode structure" to be simulated according to the present disclosure can include a mixing step and / or a pressing step.

[0068] In one embodiment, modeling the virtual electrode structure according to the present disclosure can include a mixing step of mixing materials constituting the virtual electrode structure, with reference to Figure 2 The mixing step is described in more detail.

[0069] Specifically, information about the target electrode structure is input into a first program, and a 3D model is created based on this. The 3D model can be provided in the form of particles corresponding to the materials constituting the virtual electrode structure being filled in a predetermined volume (volume filling). Furthermore, the amount of particles corresponding to the materials constituting the 3D model (such as active materials, binders, electrolytes, conductive materials, etc.) can correspond to the volume percentage (vol%) of the active materials, binders, electrolytes, conductive materials, etc., in the target electrode identified in the step of collecting information about the target electrode structure. Here, vol% can refer to the volume without considering the interactions between particles.

[0070] Next, the virtual space containing the 3D model is expanded to a predetermined volume (geometric expansion), followed by blending. Therefore, the blending conditions are preferably those described in the information about the target electrode structure, but are not limited to them, and can be set such that the particles of the 3D model are properly blended.

[0071] Subsequently, the mixing step can be simulated by mixing particles dispersed in an extended space and undergoing precipitation due to virtual gravity (g). Here, the interactions between particles can be considered in the mixing step.

[0072] In one embodiment, modeling the virtual electrode structure may include a pressing step of applying a predetermined pressure to the material constituting the virtual electrode structure. Preferably, the pressing step is performed after the mixing step.

[0073] The pressing step may include a process of modeling the virtual electrode structure by applying linear and / or surface pressures to the 3D model based on information about the target electrode structure or 3D model undergoing the mixing step. Here, the interactions between particles may be considered in the pressing step.

[0074] Typically, linear pressure can be applied using a roller press, such as... Figure 3 As shown. For example, pressure can be applied to a 3D model by reflecting the dimensions of the roller press and the magnitude of the linear pressure thus applied, which are included in the design information about the target electrode structure.

[0075] Moreover, such as Figure 4 As shown, surface pressure can be applied to a 3D model using a predetermined pressure plate. For example, pressure can be applied to the 3D model by means of the magnitude of the surface pressure and the pressure application time, which are included in the design information reflecting information about the target electrode structure.

[0076] Meanwhile, in this step, modeling of the virtual electrode structure through creation of the 3D model and simulation thereof can be performed by a first program. In one embodiment, the first program can include a program capable of analyzing and simulating movement of particles using a discrete element method.

[0077] The discrete element method is a stress analysis method that divides a structure into virtual finite-sized elements and analyzes the structure as a collection of the elements. The first program can be used without any particular limitation as long as it is capable of modeling the virtual electrode structure by simulating a process of manufacturing the target electrode structure (e.g., a mixing step and a pressing step) using the discrete element method. For example, EDEM from Altair can be used.

[0078] As described above, the method of forming a twin electrode structure according to the disclosure can improve consistency with the target electrode structure by modeling the virtual electrode structure through simulation of a process of manufacturing the target electrode structure, such as a mixing step and / or a pressing step. Furthermore, use of the first program capable of analyzing movement of particles by considering interaction between the particles makes it possible to obtain more accurate positional information about the material constituting the virtual electrode structure.

[0079] Modeling a twin electrode structure

[0080] In this step, the twin electrode structure reflecting the contact interface information of the particles in the virtual electrode structure can be modeled by inputting information about the modeled virtual electrode structure to a second program.

[0081] Particles of the active material, the binder, the conductive material, the solid electrolyte, etc. in the target electrode structure can exist in the form of primary particles, and secondary particles, which are large particles that can be physically distinguished, can be formed by agglomerating the primary particles. In this step, simulation can be performed by reflecting a case where the particles in the virtual electrode structure are formed into secondary particles using the second program. Accordingly, the twin electrode structure reflecting the contact interface information of the particles in the virtual electrode structure can be modeled.

[0082] In one embodiment, the second program can include a program capable of analyzing and simulating contact interface information of particles using a finite volume method. The finite volume method is a numerical solution of partial differential equations that describe flow of air or liquid or heat flow, and is a difference method suitable for handling equations described in the form of conservation laws.

[0083] The second program can be used without any particular limitation, as long as it can analyze and simulate the contact interface information of the primary particles and the secondary particles generated due to the formation of secondary particles from the particles in the virtual electrode structure by using the finite volume method to model the twin electrode structure. For example, GEODICT from Math2Market can be used.

[0084] Meanwhile, since the first program is used to depict the particles using a sphere without deformation of the particles, it can be difficult to accurately depict the contact between the particles in the actual target electrode structure.

[0085] Since the second program is used to perform simulation or modeling based on a voxel technique in order to render an object that can be divided into small cubes or volume elements, it can not allow interaction and overlap between the particles. The second program implements voxelization of the virtual electrode structure modeled by the first program to allow smooth contact of the overlapping parts, thereby performing secondary modeling (e.g., modeling of the twin electrode structure) similar to the actual electrode structure. Also, modeling the twin electrode structure can include modifying the modeling of the twin electrode structure by comparing CT (Computed Tomography) images of the twin electrode structure and the target electrode structure.

[0086] As the first program and the second program, the same or different programs can be used, as long as they can completely perform their respective functions.

[0087] As described above, the method of forming a twin electrode structure according to the present disclosure can improve consistency with a target electrode structure by modeling a twin electrode structure by reflecting contact interface information of particles in a virtual electrode structure.

[0088] Verification step

[0089] In one embodiment, a verification step of comparing the characteristics of the modeled twin electrode structure and the characteristics of the target electrode structure can also be included. This is used to reduce errors that can occur in the modeling process, since the digital twin electrode structure according to the present disclosure is not based on hundreds of tomographic images of the actual target electrode structure.

[0090] The verification step can be performed in such a way that if consistency between the characteristics of the target electrode structure and the characteristics of the twin electrode structure is greater than or equal to a preset value, modeling of the twin electrode structure is ended, and if the consistency is less than the preset value, correction is performed so that the characteristics of the twin electrode structure become equal to the characteristics of the target electrode structure, and then the verification step is performed again.

[0091] The consistency can be calculated as [(characteristic value of the twin electrode structure / characteristic value of the target electrode structure) x 100]. Further, other calculation formulae for comparing the degree of matching between the characteristic value of the target electrode structure and the characteristic value of the twin electrode structure can be appropriately applied. For example, it can be calculated as [1 - {(characteristic value of the target electrode structure - characteristic value of the twin electrode structure) / characteristic value of the target electrode structure}] * 100.

[0092] Further, the preset consistency can be 85% to 100%. If the preset consistency is less than 85%, the similarity to the actual target electrode structure is reduced even when the consistency of the modeled digital twin electrode structure is greater than or equal to the preset consistency.

[0093] Here, the "characteristic value" can be a numerical value related to the mechanical or electrical characteristics of each electrode structure.

[0094] For example, the mechanical characteristics can include plastic and elastic characteristics, and the characteristic value thereof can be determined by dividing the plastic deformation energy (W pl ) measured by the micro-indentation test by the total deformation energy (W tot ).

[0095] The consistency of the mechanical characteristics of the twin electrode structure for verifying can be determined in such a manner that the W pl / W tot value is calculated by performing a micro-indentation simulation on the twin electrode structure using the first program, and the W pl / W tot value is calculated by performing a micro-indentation test on the actual manufactured target electrode structure and then dividing it to correspond to the definition of the above-described consistency.

[0096] Figure 6 and Figure 7 show a process of calculating the W pl / W tot value by performing a micro-indentation test on the actual manufactured target electrode structure, and Figure 8 show a process of calculating the W pl / W tot value by performing a micro-indentation simulation on the twin electrode structure using the first program.

[0097] Further, any characteristic value capable of well representing the mechanical characteristics of the twin electrode structure can be compared without particular limitation.

[0098] Also, the electrical characteristics can include the ionic conductivity and the electronic conductivity of the electrode structure, and the characteristic value thereof can be represented as the effective ionic conductivity (σ ion ) and / or the effective electronic conductivity (σ e ).

[0099] The consistency of the electrical characteristics of the twin electrode structure can be determined in such a manner that the effective ionic conductivity (σ ion ) or the effective electronic conductivity (σ e ) of the twin electrode structure is calculated using the second program, and the effective ionic conductivity (σ ion ) or the effective electronic conductivity (σ e ) is calculated by performing impedance measurement on the actually manufactured target electrode structure, followed by division by the definition corresponding to the above consistency.

[0100] Figure 9 The process of obtaining the effective ionic conductivity (σ ion ) of the twin electrode structure using the second program is shown, and Figure 10 The process of comparing the effective ionic conductivity of the twin electrode structure and the effective ionic conductivity of the target electrode structure is shown. Furthermore, Figure 11 The process of obtaining the effective electronic conductivity (σ e ) of the twin electrode structure using the second program is shown, and Figure 12 The process of comparing the effective electronic conductivity of the twin electrode structure and the effective electronic conductivity (σ e ) of the target electrode structure is shown.

[0101] Furthermore, any characteristic value that can well represent the electrical characteristics of the twin electrode structure can be compared, without particular limitation.

[0102] If both the consistency with respect to the mechanical characteristics and the consistency with respect to the electrical characteristics calculated as above are greater than or equal to a preset value, the modeling of the twin electrode structure can be ended.

[0103] On the other hand, if the consistency with respect to the mechanical characteristics or the consistency with respect to the electrical characteristics is less than the preset value, correction can be performed so that the characteristics of the twin electrode structure become equal to the characteristics of the target electrode structure.

[0104] In this way, the correction can include increasing or decreasing the change in the mechanical or electrical characteristics of the twin electrode structure. In one embodiment, the correction can include changing at least one selected from the following: the connectivity between the materials in the twin electrode structure, the distribution ratio, the surface modification of the materials, and the characteristics of the byproducts.

[0105] For example, regarding the electrical characteristics of the twin electrode structure, if the effective ionic conductivity of the twin electrode structure is lower than the effective ionic conductivity of the target electrode structure, the distribution rate of the binder located in the solid electrolyte can be reduced or the surface of the solid electrolyte can be coated with a material having a higher ionic conductivity. In contrast, if the effective ionic conductivity of the twin electrode structure is higher than the effective ionic conductivity of the target electrode structure, the connectivity of the solid electrolyte can be reduced, the distribution rate of the binder located in the solid electrolyte can be increased, or the surface of the solid electrolyte can be coated with a material having a lower ionic conductivity.

[0106] In addition, if the effective electronic conductivity of the twin electrode structure is lower than the effective electronic conductivity of the target electrode structure, the active material in the twin electrode can be coated with a material having a higher electronic conductivity, and if the effective electronic conductivity of the twin electrode structure is higher than the effective electronic conductivity of the target electrode structure, the active material in the twin electrode can be coated with a material having a lower electronic conductivity.

[0107] Regarding the mechanical characteristics of the twin electrode structure, if the W pl / W tot value of the twin electrode structure is lower or higher than the W pl / W tot value of the target electrode structure, the mechanical characteristics (elastic modulus, yield stress, etc.) of each component (e.g., active material, binder, electrolyte, or conductive material) of the twin electrode structure can be corrected to be equal to the mechanical characteristics of the target electrode structure.

[0108] After performing the correction so that the characteristics of the twin electrode structure become equal to the characteristics of the target electrode structure, the verification step of comparing the characteristics of the twin electrode structure with the characteristics of the target electrode structure can be performed again. If the consistency of the corrected twin electrode structure with the target electrode structure is less than a preset value, the correction process can be repeated until the consistency is greater than or equal to the preset value.

[0109] Therefore, depending on the content of the correction, the verification step can be performed immediately after the correction, the verification step can be performed after remodeling the virtual electrode structure and the twin electrode structure by reflecting the content of the correction, or the verification step can be performed by remodeling only the twin electrode structure.

[0110] When the verification step is performed by comparing the mechanical and electrical characteristics of the modeled twin electrode structure with the mechanical and electrical characteristics of the target electrode structure in this way, not only can the structure be modeled quickly, but also the similarity to a real object can be increased.

[0111] Specifically, in the verification step, the connectivity between electrode materials, the position, and other material characteristics can be additionally corrected to increase the consistency of mechanical and electrical characteristics, thereby further improving the similarity between the actual target electrode structure and the twin electrode structure manufactured through the digital twinning process.

[0112] As is apparent from the foregoing, the method of forming a digital twin electrode structure according to the present disclosure can model a virtual electrode structure by inputting information about a target electrode structure to a first program designed to simulate a process of manufacturing the target electrode structure, and model a twin electrode structure reflecting contact interface information of particles in the virtual electrode structure by inputting information about the modeled virtual electrode structure to a second program, thereby improving the consistency between the target electrode structure and the twin electrode structure.

[0113] Further, by verifying the mechanical and electrical characteristics of the modeled twin electrode structure by comparison with the mechanical and electrical characteristics of the target electrode structure, the structure can be modeled quickly and the similarity to the real object can be increased.

[0114] Specifically, in the verification step, the connectivity between electrode materials, the position, and other material characteristics can be additionally corrected to increase the consistency of mechanical and electrical characteristics, thereby further improving the similarity between the actual structure and the modeled structure.

[0115] The effects of the present disclosure are not limited to the foregoing. It should be understood that the effects of the present disclosure include all effects that can be deduced from the descriptions of the present disclosure.

[0116] Since the embodiments of the present disclosure have been described above, it will be understood by those skilled in the art that various modifications, changes, and alterations are possible by modifying, deleting, or adding components without departing from the scope and spirit of the present disclosure described in the appended claims, and it will also be understood that such modifications, changes, and alterations are to be included within the scope of the present disclosure.

Claims

1. A method for forming a digital twin electrode structure, comprising: Collect information about the target electrode structure; The virtual electrode structure is modeled by inputting the collected information about the target electrode structure into a first program, which is designed to simulate the process of manufacturing the target electrode structure. as well as The twin electrode structure is modeled by inputting information from the virtual electrode structure into a second program to simulate particle interactions at the contact interface.

2. The method according to claim 1, wherein, The information regarding the target electrode structure includes information about the materials constituting the target electrode structure.

3. The method according to claim 1, wherein, The information regarding the target electrode structure includes design information for manufacturing the target electrode structure.

4. The method according to claim 1, wherein, The first program includes a program capable of analyzing and simulating particle movement using the discrete element method.

5. The method according to claim 1, wherein, Modeling the virtual electrode structure includes a mixing step of mixing the materials constituting the virtual electrode structure.

6. The method according to claim 1, wherein, Modeling the virtual electrode structure includes a pressing step of applying a predetermined pressure to the material constituting the virtual electrode structure.

7. The method according to claim 1, wherein, The second program includes a program that can analyze and simulate particle contact interface information using the finite volume method.

8. The method according to claim 1, wherein, Modeling the twin electrode structure includes modifying the modeling of the twin electrode structure by comparing computed tomography (CT) images of the twin electrode structure with computed tomography (CT) images of the target electrode structure.

9. The method of claim 1, further comprising: The verification step involves comparing the characteristics of the modeled twin electrode structure with those of the target electrode structure.

10. The method according to claim 9, wherein, The verification step includes comparing the characteristics of the target electrode structure with the characteristics of the twin electrode structure, and: If the consistency between the characteristics of the target electrode structure and the characteristics of the twin electrode structure is greater than or equal to a preset threshold, the modeling process ends. If the consistency is lower than the preset threshold, the twin electrode structure is corrected to match the characteristics of the target electrode structure, and the verification steps are repeated.

11. The method according to claim 10, wherein, The preset threshold is 85%-100%.

12. The method according to claim 10, wherein, The correction includes altering at least one of the following: the connectivity between materials in the twin electrode structure, the distribution rate, the surface modification of the materials, and the characteristics of the byproducts.

13. The method according to claim 10, wherein, The verification step includes verifying the mechanical properties of the twin electrode structure.

14. The method according to claim 13, wherein, The mechanical properties include plasticity and elasticity.

15. The method according to claim 10, wherein, The verification step includes verifying the electrical characteristics of the twin electrode structure.

16. The method according to claim 15, wherein, The electrical properties include effective ionic conductivity (σ). ion ) and effective electronic conductivity (σ e At least one of the following.

17. A method for forming a digital twin electrode structure with simulated electrode fabrication and performance characteristics, the method comprising: Collect parameters specific to the target electrode structure; A virtual electrode structure for the target electrode structure is generated by combining the parameters. During the formation of the virtual electrode structure, the discrete element method is used to replicate material behavior to simulate the manufacturing process of the target electrode structure; The virtual electrode structure is refined by using the finite volume method combined with the contact interface characteristics of the particles; as well as A digital twin electrode structure that reflects the properties of the target electrode structure is formed.

18. The method according to claim 17, wherein, The steps for simulating the manufacturing process of the target electrode structure include: Based on the material properties of the target electrode structure, the mixing steps of the materials constituting the virtual electrode structure are adjusted; and The pressing process is optimized by applying different pressures to different regions of the virtual electrode structure to address differences in material distribution and structural properties, thereby applying a predetermined pressure to the material constituting the virtual electrode structure.

19. A system for forming and verifying digital twin electrode structures, the system comprising: The first program is configured to model the virtual electrode structure by simulating the manufacturing process of the target electrode structure using the discrete element method. The second procedure is configured to model the twin electrode structure by simulating the particle contact interface using the finite volume method. as well as The verification module is configured to compare the characteristics of the twin electrode structure with the characteristics of the target electrode structure.

20. The system of claim 19, further comprising a feedback mechanism that adjusts the virtual electrode structure based on deviations identified during verification.

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