Method and system for designing a three-dimensional electrode structure

Abstract

A system for designing a three-dimensional electrode structure according to one embodiment of the present application can include a structure forming section configured to form a CBD structure using first design parameters input for a conductive material and a binder (CBD) structure, and to form an electrode structure using second design parameters input for the electrode structure; a calculation section configured to calculate an effective conductivity of the CBD structure using an inherent conductivity of the conductive material and an inherent conductivity of the binder, to calculate an effective conductivity of the electrode structure using an inherent conductivity of an active material, an inherent conductivity of a CBD particle, and an inherent conductivity of a current collector, and to calculate a calculated resistivity of the electrode structure by converting the effective conductivity of the electrode structure into an inverse; a correction section configured to calculate a deviation by comparing a calculated specific resistance with a target resistance, and to correct a variable or a shape of the electrode structure to minimize the deviation; and an inverse section configured to calculate the inherent conductivity of the active material, the inherent conductivity of the CBD particle, the inherent conductivity of the current collector, and third design parameters, all of which are included in the corrected electrode structure.

Description

Technical Field

[0001] Cross-references to related applications

[0002] This application claims the benefit of priority based on Korean Patent Application No. 10-2024-0193889, filed on December 23, 2024, and the entire contents disclosed in the corresponding Korean patent application are incorporated herein by reference.

[0003] This invention relates to a method and system for designing three-dimensional electrode structures. Background Technology

[0004] Digital twin technology is a technique used to create a virtual representation of a real-world object within a computer to simulate various possible scenarios and predict outcomes. This digital twin technology can be applied to the research and development of secondary batteries. Specifically, by modeling the three-dimensional electrode structure of a secondary battery in a virtual computer space using digital twin technology and verifying the characteristics of this structure, the cost and time required in actual secondary battery manufacturing processes can be reduced.

[0005] Furthermore, because the three-dimensional electrode structures formed using traditional digital twin technology are at the micrometer level, it is difficult to distinguish the nanoscale conductive materials and binders within the three-dimensional electrode structure. Therefore, there are limitations in accurately predicting the resistivity of the three-dimensional electrode structure based on the shape of the conductive materials and binders. Summary of the Invention

[0006] Technical issues

[0007] One object of the present invention is to provide a method and system for designing a three-dimensional electrode structure, which can form a three-dimensional electrode structure and calculate the resistivity of the three-dimensional electrode structure based on the shape of the conductive material and binder contained therein.

[0008] Technical solution

[0009] A three-dimensional electrode structure design system according to one embodiment of the present invention may include: a structure forming unit configured to form a CBD structure using first design parameters input for a conductive material and binder (CBD) structure, and to form an electrode structure using second design parameters input for an electrode structure; and a calculation unit configured to calculate the effective conductivity of the CBD structure using the inherent conductivity of the conductive material and the inherent conductivity of the binder, and using the inherent conductivity of the active material, the inherent conductivity of the CBD particles, and the inherent conductivity of the current collector. The system includes: a calculation unit for calculating the effective conductivity of the electrode structure and a calculation resistivity of the electrode structure by converting the effective conductivity of the electrode structure into its reciprocal; a correction unit configured to calculate the deviation by comparing the calculation resistivity with the target resistivity and to correct the variable or shape of the electrode structure in the direction that minimizes the deviation; and an inverse calculation unit configured to calculate the inherent conductivity of the active material, the inherent conductivity of the CBD particles, the inherent conductivity of the current collector, and a third design parameter, all of which are included in the corrected electrode structure.

[0010] The structure forming portion may include a conductive material and an adhesive structure forming portion, the conductive material and adhesive structure forming portion being configured to set the domain size and voxel size based on the first design parameters, and to form the conductive material within the domain using the first design parameters.

[0011] The structure forming portion may include an electrode structure forming portion configured to set the domain size and voxel size based on the second design parameters, and to form the active material, the CBD particles and the current collector in the domain using the second design parameters.

[0012] The calculation unit may include an effective conductivity calculation unit, which is configured to calculate the effective conductivity of the CBD structure based on Laplace's equation and Ohm's law.

[0013] The calculation unit may include a resistivity calculation unit configured to calculate the effective conductivity of the electrode structure by substituting the effective conductivity of the CBD structure into the inherent conductivity of the CBD particles.

[0014] The correction unit can calculate the deviation between the calculated resistivity and the target resistivity, and can perform correction on the electrode structure when the deviation is greater than or equal to a predetermined reference value, and can not perform correction on the electrode structure when the deviation is less than the predetermined reference value.

[0015] When the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, the correction unit can compare the magnitude of the calculated resistivity and the target resistivity, and when the target resistivity is less than the calculated resistivity, the electrode structure is corrected by increasing the inherent conductivity of the active material, the inherent conductivity of the CBD particles, or the inherent conductivity of the current collector.

[0016] When the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, the correction unit can compare the magnitude of the calculated resistivity and the target resistivity, and when the target resistivity is greater than the calculated resistivity, the electrode structure is corrected by reducing the inherent conductivity of the active material, the inherent conductivity of the CBD particles, or the inherent conductivity of the current collector.

[0017] When the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, the correction unit can compare the magnitude of the calculated resistivity and the target resistivity, and when the target resistivity is less than the calculated resistivity, the electrode structure is corrected by dispersing CBD particles within the domain of the electrode structure.

[0018] When the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, the correction unit can compare the magnitude of the calculated resistivity and the target resistivity, and when the target resistivity is greater than the calculated resistivity, the electrode structure is corrected by aggregating CBD particles within the domain of the electrode structure.

[0019] When the volume deviation between the CBD particles in the corrected electrode structure and the CBD particles in the electrode structure before the shape was corrected is greater than or equal to a predetermined reference value, the correction part may additionally form CBD particles within the domain of the electrode structure.

[0020] The correction unit can calculate the calculated resistivity of the corrected electrode structure, and determine whether the correction of the electrode structure needs to be repeated based on whether the deviation between the calculated resistivity of the corrected electrode structure and the target resistivity is greater than or equal to a predetermined value.

[0021] A three-dimensional electrode structure design method according to an embodiment of the present invention may include the following steps: forming the CBD structure by a structure forming unit using first design parameters input as a conductive material and binder (CBD) structure, and calculating the effective conductivity of the CBD structure by a calculation unit using the inherent conductivity of the conductive material and the inherent conductivity of the binder; forming the electrode structure by the structure forming unit using second design parameters input as an electrode structure, calculating the effective conductivity of the electrode structure by the calculation unit using the inherent conductivity of the active material, the inherent conductivity of the CBD particles, and the inherent conductivity of the current collector, and calculating the calculated resistivity of the electrode structure by converting the effective conductivity of the electrode structure into its reciprocal; calculating the deviation by a correction unit by comparing the calculated resistivity with a target resistivity, and correcting the variable or shape of the electrode structure in a direction that minimizes the deviation; and calculating the inherent conductivity of the active material, the inherent conductivity of the CBD particles, the inherent conductivity of the current collector, and the third design parameter, all included in the corrected electrode structure by a reverse calculation unit.

[0022] The step of calculating the effective electrical conductivity of the CBD structure may include the following steps: setting the domain size and voxel size by the structure forming part based on the first design parameters; and forming a conductive material in the domain using the first design parameters.

[0023] The step of calculating the calculated resistivity of the electrode structure may include the following steps: setting the domain size and voxel size by the structure forming part based on the second design parameters; and forming active material, CBD particles and current collector within the domain using the second design parameters.

[0024] The step of calculating the calculated resistivity of the electrode structure may include the following steps: the calculation unit calculates the effective conductivity of the electrode structure by substituting the effective conductivity of the CBD structure into the inherent conductivity of the CBD particles.

[0025] The step of correcting the variable or shape of the electrode structure may include the following steps: the correction unit calculates the deviation between the calculated resistivity and the target resistivity; and when the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, the electrode structure is corrected, and when the deviation between the calculated resistivity and the target resistivity is less than the predetermined reference value, the electrode structure is not corrected.

[0026] The step of correcting the variables or shape of the electrode structure may include the following steps: calculating the deviation between the calculated resistivity and the target resistivity, and determining whether the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value; when the deviation between the calculated resistivity and the target resistivity is greater than or equal to the predetermined reference value, comparing the magnitude of the calculated resistivity and the target resistivity; when the target resistivity is less than the calculated resistivity, correcting the electrode structure by increasing the inherent conductivity of the active material, the inherent conductivity of the CBD particles, or the inherent conductivity of the current collector; when the target resistivity is greater than the calculated resistivity, correcting the electrode structure by decreasing the inherent conductivity of the active material, the inherent conductivity of the CBD particles, or the inherent conductivity of the current collector; and calculating the calculated resistivity of the corrected electrode structure.

[0027] The steps for correcting the variable or shape of the electrode structure include: calculating the deviation between the calculated resistivity and the target resistivity, and determining whether the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value; when the deviation between the calculated resistivity and the target resistivity is greater than or equal to the predetermined reference value, comparing the magnitude of the calculated resistivity and the target resistivity; when the target resistivity is less than the calculated resistivity, correcting the electrode structure by dispersing CBD particles within the domain of the electrode structure; and when the target resistivity is greater than the calculated resistivity, correcting the electrode structure by aggregating CBD particles within the domain of the electrode structure.

[0028] The step of correcting the variable or shape of the electrode structure may include the following steps: determining whether the volume deviation between the CBD particles in the corrected electrode structure and the CBD particles in the original electrode structure is less than a predetermined reference value; when the volume deviation between the CBD particles in the corrected electrode structure and the CBD particles in the original electrode structure is greater than or equal to the predetermined reference value, additional CBD particles are formed within the domain of the electrode structure; and when the volume deviation between the CBD particles in the corrected electrode structure and the CBD particles in the original electrode structure is less than the predetermined reference value, the calculated resistivity of the corrected electrode structure is calculated.

[0029] Beneficial effects

[0030] According to embodiments of the present invention, the resistivity of a three-dimensional electrode structure can be calculated based on the shape of the conductive material and binder included in the three-dimensional electrode structure.

[0031] Furthermore, according to embodiments of the present invention, the inherent physical properties or design parameters of a three-dimensional electrode structure with a target resistivity, or the shape information of the conductive material and its binder, can be obtained.

[0032] The effects that can be obtained in this disclosure are not limited to those described above, and other effects not mentioned will be clearly understood by those skilled in the art to which this disclosure pertains based on the following description. Attached Figure Description

[0033] Figure 1 This is a block diagram of a three-dimensional electrode structure design system according to an embodiment of the present invention.

[0034] Figures 2 to 4 This is an example of a CBD structure formed by a CBD structure forming part according to an embodiment of the present invention.

[0035] Figure 5a and Figure 5b This is an example of an electrode structure formed by an electrode structure forming portion according to an embodiment of the present invention.

[0036] Figure 6 It is a graph showing the effective conductivity of the CBD structure based on the ratio of conductive material to binder content.

[0037] Figure 7 The process of using a shape tracking algorithm to correct the shape of an electrode structure is shown in the correction unit according to an embodiment of the present invention.

[0038] Figure 8 This is a flowchart of a three-dimensional electrode structure design method according to an embodiment of the present invention.

[0039] Figure 9 This is a flowchart illustrating the steps of a calibration electrode structure according to an embodiment of the present invention.

[0040] Figure 10 This is a flowchart of the steps for constructing a correction electrode structure according to another embodiment of the present invention. Detailed Implementation

[0041] In describing the embodiments disclosed in this specification, detailed descriptions of related known technologies have been omitted where it was determined that they might obscure the essence of the embodiments disclosed in this specification. Furthermore, the accompanying drawings are provided only for easy understanding of the embodiments disclosed in this specification, and the technical spirit disclosed in this specification is not limited to the drawings and should be understood to include all modifications, equivalents, or substitutions included within the spirit and scope of the invention.

[0042] Ordinal terms such as first, second, etc., can be used to describe various components, but these components are not limited by these terms. These terms are used only for the purpose of distinguishing one component from another.

[0043] When it is said that a component is "connected" or "linked" to another component, it should be understood that it can be directly connected or linked to other components, but other components may exist in between. On the other hand, when it is said that a component is "directly connected" or "directly linked" to another component, it should be understood that no other components exist in between.

[0044] In this application, terms such as “comprising” or “having” are intended to indicate the presence of features, numbers, steps, operations, components, parts or combinations thereof described in the specification, and should be understood that they do not preclude the possibility of the existence or addition of one or more other features, numbers, steps, operations, components, parts or combinations thereof.

[0045] The invention will now be described in detail with reference to the accompanying drawings.

[0046] Figure 1 This is a block diagram of a three-dimensional electrode structure design system 10 according to an embodiment of the present invention.

[0047] Reference Figure 1 The three-dimensional electrode structure design system 10 according to an embodiment of the present invention may include a processor 100 and a memory 200.

[0048] The processor 100 can form a three-dimensional structure and calculate the effective conductivity and resistivity representing the electrical properties of the formed three-dimensional structure. The processor 100 can use the effective conductivity and resistivity of the three-dimensional structure to correct the three-dimensional structure. According to an embodiment, the processor 100 may include a structure forming unit 110, a calculation unit 120, a correction unit 130, and an inverse calculation unit 140.

[0049] The structure forming section 110 can form a three-dimensional structure using design parameters input from an external source. Here, the external source can be a user terminal, an advanced controller, or the like. According to an embodiment, the structure forming section 110 may include a conductive material and binder structure forming section 111 and an electrode structure forming section 112.

[0050] The conductive material and binder structure forming part 111 can form a three-dimensional structure of conductive material and binder (hereinafter referred to as 'CBD structure'). The CBD structure forming part 111 can set the domain size and voxel size based on the first design parameter input of the CBD structure. The CBD structure forming part 111 can form conductive material in the domain using the first design parameter. At this time, the portion other than the portion corresponding to the conductive material in the domain corresponds to the binder.

[0051] Here, the first design parameter refers to the variables required to form the CBD structure, and may include the true density of conductive materials and binders, the content ratio of conductive materials and binders, the shape and diameter of conductive material particles, the curl index, etc.

[0052] According to the embodiment, the CBD structure forming section 111 can set the size of the domain based on the shape and diameter of the conductive material particles, and can set the voxel size based on the size of the domain. For example, the CBD structure forming section 111 can set the length of each side of the domain to a value greater than or equal to N times the diameter of the conductive material particles (where N is a natural number of 2 or greater). Furthermore, based on the size of the domain, the voxel size can be set to 1 / 10. N (Where N is a natural number of 2 or greater). In this case, the domain size and voxel size set by the CBD structure forming unit 111 can be in nanometer units. However, the domain size and voxel size set by the CBD structure forming unit 111 are not limited to this and can be freely set as needed. According to the embodiment, the domain size and voxel size can be set by the user and input as first design parameters via the processor 100.

[0053] Figures 2 to 4 This is an example of a CBD structure formed by the CBD structure forming part 111 according to an embodiment of the present invention.

[0054] Figure 2 (a) is an example of a CBD structure that includes a fiber-type conductive material. Figure 2 (b) is an example of a CBD structure comprising particulate conductive material, and Figure 2 (c) is an example of a CBD structure in which a mixture of fibrous and particulate conductive materials is incorporated. (See reference...) Figure 2 According to embodiments of the present invention, conductive materials having various shapes and diameters can be included in the CBD structure formed by the CBD structure forming portion 111.

[0055] Figure 3 Examples (a) to (c) are CBD structures comprising fibrous conductive materials, and are examples of CBD structures in which the true density of the conductive material and binder, the content ratio of the conductive material and binder, and the diameter of the fibrous conductive material are the same but have different curl indices in the first design parameters. (See reference) Figure 3 As can be seen from (a) to (c), the shape of the conductive material formed in the domain by the CBD structure forming part 111 varies according to the curl index included in the first design parameter.

[0056] Figure 4(a) through (e) are examples of CBD structures that include fibrous conductive materials, and are examples of CBD structures in which the proportions of conductive materials and binders in the first design parameters are different from each other. Figure 4 (a) is an example of a CBD structure with a conductive material and binder content of 0.2% by weight. Figure 4 (b) is an example of a CBD structure with a conductive material and binder content of 0.4% by weight. Figure 4 (c) is an example of a CBD structure with a conductive material and binder content of 0.6% by weight. Figure 4 (d) is an example of a CBD structure with a conductive material and binder content of 0.8% by weight. Figure 4 (e) is an example of a CBD structure in which the content of conductive material and binder is 1.0% by weight. (See reference...) Figure 4 As can be seen from (a) to (e), the volume ratio of the conductive material formed by the CBD structure forming part 111 in the domain varies according to the content ratio of the conductive material and the binder included in the first design parameters.

[0057] The electrode structure forming section 112 can form a three-dimensional structure for an electrode (hereinafter referred to as 'electrode structure'). The electrode structure forming section 112 can set the domain size and voxel size based on the input of a second design parameter of the electrode structure. The electrode structure forming section 112 can use the second design parameter to form active material, conductive material, binder (CBD) particles, and current collector in the domain.

[0058] Here, the second design parameter refers to the variables required to form the electrode structure, and may include the content and true density of each component included in the electrode structure, the size distribution and sphericity of the active material, the content ratio of conductive material and binder, CBD dispersion, current collector thickness, etc.

[0059] According to an embodiment, the electrode structure forming section 112 can set the domain size and voxel size based on the diameter of the active material particles. For example, the electrode structure forming section 112 can set the domain size to N times (where N is a natural number of 2 or greater) based on the diameter of the largest active material particle, and set the voxel size to 1 / M times (where M is a natural number of 2 or greater) based on the diameter of the smallest active material particle. In this case, the domain size and voxel size set by the electrode structure forming section 112 can be in micrometers. However, the domain size and voxel size set by the electrode structure forming section 112 are not limited to this, and can be freely set as needed. According to an embodiment, the domain size and voxel size can be set by the user and input as second design parameters through the processor 100.

[0060] Figure 5a and 5b This is an example of an electrode structure formed by an electrode structure forming portion 112 according to an embodiment of the present invention.

[0061] Figure 5a (a) is when the true density of the conductive material is 2 g / cm³. 3 The true density of the adhesive is 1.78 g / cm³. 3 An example of an electrode structure formed by an electrode structure when the ratio of conductive material to binder is 1:5 wt% and the CBD dispersion is 0.04071. Figure 5a (b) is along Figure 5a The cross section taken from A1-A2 in the diagram.

[0062] Figure 5b (a) is when the true density of the conductive material is 2 g / cm³. 3 The true density of the adhesive is 1.78 g / cm³. 3 An example of an electrode structure formed when the ratio of conductive material to binder is 1:5 wt% and the CBD dispersion is 0.07265. Figure 5b (b) is a cross section taken along B1-B2 in (a) of Figure 5b.

[0063] Reference Figures 5a to 5b As can be seen, the shape of the electrode structure formed by the electrode structure forming part 112 in the domain varies according to the CBD dispersion included in the second design parameter.

[0064] The calculation unit 120 can calculate the effective conductivity or resistivity of the three-dimensional structure formed by the structure forming unit 110. According to an embodiment, the calculation unit 120 may include an effective conductivity calculation unit 121 and a resistivity calculation unit 122.

[0065] The effective conductivity calculation unit 121 can calculate the effective conductivity of the CBD structure. The effective conductivity calculation unit 121 can calculate the effective conductivity of the CBD structure using the inherent conductivity of the conductive material and the inherent conductivity of the binder. Here, the inherent conductivity of the conductive material and the inherent conductivity of the binder can be stored in the memory 200. The effective conductivity of the CBD structure calculated by the effective conductivity calculation unit 121 can vary depending on the shape and size of the conductive material and the ratio of the conductive material to the binder content in the CBD structure.

[0066] At this point, using the inherent conductivity of the conductive material and the inherent conductivity of the adhesive, various conventionally known methods can be applied to calculate the effective conductivity of the CBD structure. According to the embodiment, the effective conductivity calculation unit 121 can calculate the effective conductivity of the CBD structure based on the Laplace equation and Ohm's law. For example, the effective conductivity calculation unit 121 can perform numerical analysis on the CBD structure using the Laplace equation, obtain the average current density and average electric field of the CBD structure by simulating the current flowing through it, and calculate the effective conductivity by dividing the average current density by the average electric field.

[0067] Figure 6 It is a graph showing the effective conductivity of the CBD structure based on the ratio of conductive material to binder content.

[0068] Figure 6 The invention illustrates a device for... Figure 4 The effective conductivity of the CBD structure is calculated by the effective conductivity calculation unit 121. (Reference) Figure 6 It can be seen that the content ratio of conductive materials and binders is proportional to the effective conductivity of the CBD structure.

[0069] The resistivity calculation unit 122 can calculate the calculated resistivity of the electrode structure. The resistivity calculation unit 122 can calculate the effective conductivity of the electrode structure using the inherent conductivity of the active material, the inherent conductivity of the CBD particles, and the inherent conductivity of the current collector.

[0070] Here, the inherent conductivity of the active material and the inherent conductivity of the current collector can be stored in the memory 200. The resistivity calculation unit 122 can use the effective conductivity of the CBD structure received from the effective conductivity calculation unit 121 as the inherent conductivity of the CBD particles. That is, the resistivity calculation unit 122 can calculate the calculated resistivity of the electrode structure by using the effective conductivity of the CBD structure calculated by the effective conductivity calculation unit 121 as the inherent conductivity of the CBD particles formed by the electrode structure forming unit 112 in the region of the electrode structure.

[0071] Since the electrode structure is micrometer-sized, the nanometer-sized conductive materials and binders cannot be distinguished separately within the electrode structure. Therefore, the influence of the shape characteristics of the conductive materials and binders is not reflected in the electrical properties obtained from the electrode structure. On the other hand, when calculating the electrical properties (i.e., resistivity) of the electrode structure, the resistivity calculation unit 122 according to an embodiment of the present invention calculates the electrical properties of the CBD structure that reflect the influence of the shape characteristics of the conductive materials and binders, and uses the CBD structure to obtain the electrical properties of the electrode structure, so that the electrical properties of the electrode structure that reflect the influence of the shape characteristics of the conductive materials and binders can be obtained.

[0072] At this point, various conventionally known methods can be applied to calculate the effective conductivity of the electrode structure using the inherent conductivity of the active material, the inherent conductivity of the CBD particles, and the inherent conductivity of the current collector. According to the embodiment, the resistivity calculation unit 122 can calculate the effective conductivity of the electrode structure based on the Laplace equation and Ohm's law. For example, the resistivity calculation unit 122 can perform numerical analysis of the electrode structure using the Laplace equation, obtain the average current density and average electric field of the electrode structure by simulating the current flowing through it, and calculate the effective conductivity by dividing the average current density by the average electric field.

[0073] The resistivity calculation unit 122 can calculate the reciprocal of the effective conductivity of the electrode structure as the calculated resistivity of the electrode structure.

[0074] The correction unit 130 can calculate the deviation by comparing the calculated resistivity with the target resistivity, and can correct the variables or shape of the electrode structure in the direction that minimizes the deviation. Here, the calculated resistivity refers to the resistivity value of the electrode structure calculated by the resistivity calculation unit 122, and the correction unit 130 can receive the calculated resistivity from the resistivity calculation unit 122. The target resistivity refers to the resistivity value of the electrode structure to be designed by the three-dimensional electrode structure design system 10, and can be a value input from an external source (such as a user terminal or a higher-level controller). The variables of the electrode structure can include the inherent conductivity of the active material, the inherent conductivity of the CBD particles, or the inherent conductivity of the current collector. The shape of the electrode structure can include the dispersion of the CBD particles in the domain of the electrode structure.

[0075] According to the embodiment, the correction unit 130 can calculate the deviation between the calculated resistivity and the target resistivity, and can perform correction on the electrode structure when the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, and can not perform correction on the electrode structure when the deviation between the calculated resistivity and the target resistivity is less than the predetermined reference value.

[0076] The correction unit 130 can use a variable tracking algorithm to correct the variables of the electrode structure. According to an embodiment, the correction unit 130 can compare the target resistivity with the calculated resistivity and correct the electrode structure by correcting at least one of the inherent conductivity of the active material, the inherent conductivity of the CBD particles, or the inherent conductivity of the current collector. For example, when the target resistivity is greater than the calculated resistivity, the correction unit 130 can decrease the inherent conductivity of the active material, the inherent conductivity of the CBD particles, or the inherent conductivity of the current collector; and when the target resistivity is less than the calculated resistivity, the correction unit 130 can increase the inherent conductivity of the active material, the inherent conductivity of the CBD particles, or the inherent conductivity of the current collector.

[0077] The correction unit 130 can use a shape tracking algorithm to correct the shape of the electrode structure. According to an embodiment, the correction unit 130 can compare the target resistivity with the calculated resistivity and correct the shape of the electrode structure by correcting the dispersion of CBD particles within the domain of the electrode structure. For example, when the target resistivity is greater than the calculated resistivity, the correction unit 130 can aggregate CBD particles within the domain of the electrode structure, and when the target resistivity is less than the calculated resistivity, the correction unit 130 can disperse the CBD particles within the domain of the electrode structure.

[0078] According to the embodiment, when the volume deviation between the CBD particles in the corrected electrode structure and the CBD particles in the original electrode structure is greater than or equal to a predetermined reference value, the correction unit 130 can additionally form CBD particles in the domain of the electrode structure. In this case, the corrected electrode structure can be an electrode structure in which the dispersion of CBD particles in the domain of the electrode structure is corrected using a shape tracking algorithm. Therefore, even if the dispersion of CBD particles in the electrode structure is corrected, the volume of CBD particles in the electrode structure can be adjusted to a constant value.

[0079] The calibration unit 130 can calculate the calculated resistivity of the calibrated electrode structure and determine whether the calibration of the electrode structure needs to be repeated based on whether the deviation between the calculated resistivity of the calibrated electrode structure and the target resistivity is greater than or equal to a predetermined value. For example, the calibration unit 130 may repeat the calibration of the electrode structure when the deviation between the calculated resistivity of the calibrated electrode structure and the target resistivity is greater than or equal to a predetermined reference value, and may not repeat the calibration of the electrode structure when the deviation between the calculated resistivity of the calibrated electrode structure and the target resistivity is less than a predetermined reference value.

[0080] Figure 7 The process of using a shape tracking algorithm to correct the shape of an electrode structure is shown in the correction unit according to an embodiment of the present invention.

[0081] Figure 7 Sample 1 illustrates the process of correcting the shape of the electrode structure when the target resistivity is 5 Ohms, while Figure 7 Sample 2 illustrates the process of correcting the shape of the electrode structure when the target resistivity is 25 Ohms. (Refer to...) Figure 7 As can be seen, in the case of sample 1, the resistivity of the electrode structure decreases with the increase of the number of calibrations, while in the case of sample 2, the resistivity of the electrode structure increases with the increase of the number of calibrations.

[0082] The reverse calculation unit 140 can receive the corrected electrode structure from the correction unit 130. The reverse calculation unit 140 can calculate the inherent conductivity of the active material included in the corrected electrode structure, the inherent conductivity of the CBD particles, the inherent conductivity of the current collector, and a third design parameter. At this time, the inherent conductivity of the active material included in the corrected electrode structure, the inherent conductivity of the CBD particles, the inherent conductivity of the current collector, and the third design parameter can be values ​​adjusted by the correction unit 130. When calculating the inherent conductivity of the active material included in the corrected electrode structure, the inherent conductivity of the CBD particles, the inherent conductivity of the current collector, and the third design parameter, the reverse calculation unit 140 can apply various conventionally known methods.

[0083] Here, the third design parameter refers to the variables used for the corrected electrode structure, and may include the content and true density of each component contained in the electrode structure, the size distribution and sphericity of the active material, the content ratio of conductive material and binder, CBD dispersion, current collector thickness, etc.

[0084] The reverse engineering unit 140 can provide users with the inherent conductivity of the active material, the inherent conductivity of the CBD particles, the inherent conductivity of the current collector, and the third design parameters obtained from the corrected electrode structure through user terminals, advanced controllers, etc.

[0085] Figure 8 This is a flowchart of a three-dimensional electrode structure design method according to an embodiment of the present invention.

[0086] Reference Figure 8 The three-dimensional electrode structure design method according to embodiments of the present invention may include a conductive material and binder structure forming step S100, an electrode structure forming step S200, a step of correcting the electrode structure S300, and a reverse calculation step S400.

[0087] In the conductive material and binder structure forming step S100, the structure forming unit 110 can use the first design parameters input for the CBD structure to form the CBD structure, and the calculation unit 120 can use the inherent conductivity of the conductive material and the inherent conductivity of the binder to calculate the effective conductivity of the CBD structure.

[0088] According to an embodiment, the conductive material and binder structure forming step S100 may include: setting the domain size and voxel size by the structure forming part 110 based on first design parameters, and forming conductive material in the domain using the first design parameters.

[0089] In the electrode structure forming step S200, the structure forming unit 110 can form the electrode structure using the second design parameters input for the electrode structure, and the calculation unit 120 can calculate the effective conductivity of the electrode structure using the inherent conductivity of the active material, the inherent conductivity of the CBD particles, and the inherent conductivity of the current collector, and calculate the calculated resistivity of the electrode structure by converting the effective conductivity of the electrode structure into its reciprocal.

[0090] According to the embodiment, the electrode structure forming step S200 may include setting the domain size and voxel size by the structure forming unit 110 based on the second design parameters, and forming active material, CBD particles and current collector in the domain using the second design parameters.

[0091] According to the embodiment, the electrode structure forming step S200 may include the calculation unit 120 calculating the effective conductivity of the electrode structure by substituting the effective conductivity of the CBD structure into the inherent conductivity of the CBD particles.

[0092] In step S300 of correcting the electrode structure, the correction unit 130 can calculate the deviation by comparing the calculated resistivity with the target resistivity, and correct the variable or shape of the electrode structure in the direction that minimizes the deviation.

[0093] According to the embodiment, step S300 of calibrating the electrode structure may include: the calibration unit 130 calculating the deviation between the calculated resistivity and the target resistivity; and when the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, calibrating the electrode structure, and when the deviation between the calculated resistivity and the target resistivity is less than the predetermined reference value, not calibrating the electrode structure.

[0094] Figure 9 This is a flowchart of step S300 of the calibration electrode structure according to an embodiment of the present invention.

[0095] Reference Figure 9 In step S300 of the calibration electrode structure according to an embodiment of the present invention, the calibration unit 130 may use a variable tracking algorithm to calibrate the variables of the electrode structure.

[0096] According to the embodiment, step S300 of correcting the electrode structure may include: calculating the deviation between the calculated resistivity and the target resistivity, and determining whether the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value S311; when the deviation between the calculated resistivity and the target resistivity is greater than or equal to the predetermined reference value, comparing the magnitudes of the calculated resistivity and the target resistivity S312; when the target resistivity is less than the calculated resistivity, correcting the electrode structure by increasing the inherent conductivity of the active material, the inherent conductivity of the CBD particles, or the inherent conductivity of the current collector S313; when the target resistivity is greater than the calculated resistivity, correcting the electrode structure by decreasing the inherent conductivity of the active material, the inherent conductivity of the CBD particles, or the inherent conductivity of the current collector S314; and calculating the calculated resistivity of the corrected electrode structure S315.

[0097] Meanwhile, in S311, if the deviation between the calculated resistivity and the target resistivity is less than a predetermined reference value, the correction of the electrode structure may not be performed. That is, in the step S300 of correcting the electrode structure, the correction unit 130 can repeatedly perform the correction of the variables of the electrode structure until the deviation between the calculated resistivity and the target resistivity is less than the predetermined reference value.

[0098] Figure 10 This is a flowchart of step S300 of the correction electrode structure according to another embodiment of the present invention.

[0099] Reference Figure 10 In step S300 of the correction electrode structure according to an embodiment of the present invention, the correction unit 130 may use a shape tracking algorithm to correct the shape of the electrode structure.

[0100] According to the embodiment, step S300 of calibrating the electrode structure may include: calculating the deviation between the calculated resistivity and the target resistivity, and determining whether the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value S321; comparing the magnitudes of the calculated resistivity and the target resistivity when the deviation between the calculated resistivity and the target resistivity is greater than or equal to the predetermined reference value S322; calibrating the electrode structure by dispersing CBD particles in the domain of the electrode structure when the target resistivity is less than the calculated resistivity S323; calibrating the electrode structure by aggregating CBD particles in the domain of the electrode structure when the target resistivity is greater than the calculated resistivity S324; and determining whether the volume deviation between the CBD particles in the calibrated electrode structure and the CBD particles in the electrode structure before calibration is less than a predetermined reference value S325. When the volume deviation between the CBD particles in the corrected electrode structure and the CBD particles in the original electrode structure is greater than or equal to a predetermined reference value, additional CBD particles are formed in the domain of the electrode structure S326, and when the volume deviation between the CBD particles in the corrected electrode structure and the CBD particles in the original electrode structure is less than the predetermined reference value, the calculated resistivity of the corrected electrode structure is calculated S327.

[0101] Meanwhile, in S321, if the deviation between the calculated resistivity and the target resistivity is less than a predetermined reference value, the correction of the electrode structure may not be performed. That is, in the step S300 of correcting the electrode structure, the correction unit 130 may repeatedly perform the correction of the shape of the electrode structure until the deviation between the calculated resistivity and the target resistivity is less than a predetermined reference value.

[0102] In the parameter inverse calculation step S400, the inverse calculation unit 140 can calculate the inherent conductivity of the active material included in the corrected electrode structure, the inherent conductivity of the CBD particles, the inherent conductivity of the current collector, and the third design parameter.

[0103] Furthermore, the above methods can be written as programs that can be executed on a computer, and can be implemented on a general-purpose digital computer that uses a computer-readable recording medium to run the program. Computer-readable recording media can include storage media such as magnetic storage media such as ROM, RAM, USB, floppy disks, and hard disks, or optical reading media such as CD-ROMs and DVDs.

[0104] The scope of this invention is defined by the following claims, rather than by the detailed description above, and it should be understood that all variations or modifications derived from the meaning and scope of the claims and their equivalents are included within the scope of this invention.

Claims

1. A three-dimensional electrode structure design system, the three-dimensional electrode structure design system comprising: A structure forming section is configured to form the CBD structure using first design parameters input for a conductive material and binder (CBD) structure, and to form the electrode structure using second design parameters input for an electrode structure; The calculation unit is configured to calculate the effective conductivity of the CBD structure using the inherent conductivity of the conductive material and the inherent conductivity of the binder, calculate the effective conductivity of the electrode structure using the inherent conductivity of the active material, the inherent conductivity of the CBD particles and the inherent conductivity of the current collector, and calculate the calculated resistivity of the electrode structure by converting the effective conductivity of the electrode structure to its reciprocal. A correction unit is configured to calculate a deviation by comparing the calculated resistivity with a target resistivity, and to correct the variable or shape of the electrode structure in a direction that minimizes the deviation. as well as The inverse calculation unit is configured to calculate the inherent conductivity of the active material, the inherent conductivity of the CBD particles, the inherent conductivity of the current collector, and a third design parameter, all of which are included in the corrected electrode structure.

2. The three-dimensional electrode structure design system according to claim 1, in, The structure forming portion includes a conductive material and an adhesive structure forming portion, which is configured to set the domain size and voxel size based on the first design parameters, and to form the conductive material within the domain using the first design parameters.

3. The three-dimensional electrode structure design system according to claim 1, in, The structure forming portion includes an electrode structure forming portion, which is configured to set the domain size and voxel size based on the second design parameters, and to form the active material, the CBD particles and the current collector in the domain using the second design parameters.

4. The three-dimensional electrode structure design system according to claim 1, in, The calculation unit includes an effective conductivity calculation unit, which is configured to calculate the effective conductivity of the CBD structure based on Laplace's equation and Ohm's law.

5. The three-dimensional electrode structure design system according to claim 1, in, The calculation unit includes a resistivity calculation unit, which is configured to calculate the effective conductivity of the electrode structure by substituting the effective conductivity of the CBD structure into the inherent conductivity of the CBD particles.

6. The three-dimensional electrode structure design system according to claim 1, in, The correction unit: The deviation between the calculated resistivity and the target resistivity is calculated. When the deviation is greater than or equal to a predetermined reference value, the electrode structure is corrected. When the deviation is less than the predetermined reference value, the electrode structure is not corrected.

7. The three-dimensional electrode structure design system according to claim 1, in, The correction unit: When the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, the magnitudes of the calculated resistivity and the target resistivity are compared, and When the target resistivity is less than the calculated resistivity, the electrode structure is corrected by increasing the inherent conductivity of the active material, the inherent conductivity of the CBD particles, or the inherent conductivity of the current collector.

8. The three-dimensional electrode structure design system according to claim 1, in, The correction unit: When the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, the magnitudes of the calculated resistivity and the target resistivity are compared, and When the target resistivity is greater than the calculated resistivity, the electrode structure is corrected by reducing the inherent conductivity of the active material, the inherent conductivity of the CBD particles, or the inherent conductivity of the current collector.

9. The three-dimensional electrode structure design system according to claim 1, in, The correction unit: When the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, the magnitudes of the calculated resistivity and the target resistivity are compared, and When the target resistivity is less than the calculated resistivity, the electrode structure is corrected by dispersing CBD particles within the domain of the electrode structure.

10. The three-dimensional electrode structure design system according to claim 1, in, The correction unit: When the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, the magnitudes of the calculated resistivity and the target resistivity are compared, and When the target resistivity is greater than the calculated resistivity, the electrode structure is corrected by aggregating CBD particles within the domain of the electrode structure.

11. The three-dimensional electrode structure design system according to claim 1, in, The correction unit: When the volume deviation between the CBD particles in the corrected electrode structure and the CBD particles in the electrode structure before the shape was corrected is greater than or equal to a predetermined reference value, additional CBD particles are formed within the domain of the electrode structure.

12. The three-dimensional electrode structure design system according to claim 1, in, The correction unit: The calculated resistivity of the corrected electrode structure is calculated, and it is determined whether the correction of the electrode structure needs to be repeated based on whether the deviation between the calculated resistivity of the corrected electrode structure and the target resistivity is greater than or equal to a predetermined value.

13. A method for designing a three-dimensional electrode structure, the method comprising the following steps: The CBD structure is formed by the structure forming unit using first design parameters input as a conductive material and binder (CBD) structure, and the effective conductivity of the CBD structure is calculated by the calculation unit using the inherent conductivity of the conductive material and the inherent conductivity of the binder; The electrode structure is formed by the structure forming unit using the second design parameters input as the electrode structure. The effective conductivity of the electrode structure is calculated by the calculation unit using the inherent conductivity of the active material, the inherent conductivity of the CBD particles, and the inherent conductivity of the current collector. The calculated resistivity of the electrode structure is calculated by converting the effective conductivity of the electrode structure into its reciprocal. The correction unit calculates the deviation by comparing the calculated resistivity with the target resistivity, and corrects the variable or shape of the electrode structure in the direction that minimizes the deviation. as well as The inverse calculation unit calculates the inherent conductivity of the active material, the inherent conductivity of the CBD particles, the inherent conductivity of the current collector, and the third design parameter, all of which are included in the corrected electrode structure.

14. The three-dimensional electrode structure design method according to claim 13, wherein, The steps for calculating the effective conductivity of the CBD structure include the following: The structure forming part sets the domain size and voxel size based on the first design parameters; and The conductive material is formed within the domain using the first design parameters.

15. The three-dimensional electrode structure design method according to claim 13, wherein, The step of calculating the calculated resistivity of the electrode structure includes the following steps: The structure forming part sets the domain size and voxel size based on the second design parameters; and The second design parameters are used to form the active material, CBD particles, and current collector within the domain.

16. The three-dimensional electrode structure design method according to claim 13, wherein, The step of calculating the calculated resistivity of the electrode structure includes the following steps: The calculation unit calculates the effective conductivity of the electrode structure by substituting the effective conductivity of the CBD structure into the inherent conductivity of the CBD particles.

17. The three-dimensional electrode structure design method according to claim 13, wherein, The steps for correcting the deformation or shape of the electrode structure include the following: The correction unit calculates the deviation between the calculated resistivity and the target resistivity; and When the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, the electrode structure is corrected; when the deviation between the calculated resistivity and the target resistivity is less than the predetermined reference value, the electrode structure is not corrected.

18. The three-dimensional electrode structure design method according to claim 13, wherein, The steps for correcting the deformation or shape of the electrode structure include the following: Calculate the deviation between the calculated resistivity and the target resistivity, and determine whether the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value; When the deviation between the calculated resistivity and the target resistivity is greater than or equal to the predetermined reference value, the magnitudes of the calculated resistivity and the target resistivity are compared. When the target resistivity is less than the calculated resistivity, the electrode structure is corrected by increasing the inherent conductivity of the active material, the inherent conductivity of the CBD particles, or the inherent conductivity of the current collector. When the target resistivity is greater than the calculated resistivity, the electrode structure is corrected by reducing the inherent conductivity of the active material, the inherent conductivity of the CBD particles, or the inherent conductivity of the current collector; and Calculate the calculated resistivity of the corrected electrode structure.

19. The three-dimensional electrode structure design method according to claim 13, wherein, The steps for correcting the deformation or shape of the electrode structure include the following: Calculate the deviation between the calculated resistivity and the target resistivity, and determine whether the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value; When the deviation between the calculated resistivity and the target resistivity is greater than or equal to the predetermined reference value, the magnitudes of the calculated resistivity and the target resistivity are compared. When the target resistivity is less than the calculated resistivity, the electrode structure is corrected by dispersing CBD particles within the domain of the electrode structure; and When the target resistivity is greater than the calculated resistivity, the electrode structure is corrected by aggregating CBD particles within the domain of the electrode structure.

20. The three-dimensional electrode structure design method according to claim 19, wherein, The steps for correcting the deformation or shape of the electrode structure include the following: Determine whether the volume deviation between the CBD particles in the corrected electrode structure and the CBD particles in the original electrode structure is less than a predetermined reference value. When the volume deviation between the CBD particles in the corrected electrode structure and the CBD particles in the original electrode structure is greater than or equal to a predetermined reference value, additional CBD particles are formed within the domain of the electrode structure; and When the volume deviation between the CBD particles in the corrected electrode structure and the CBD particles in the original electrode structure is less than a predetermined reference value, the calculated resistivity of the corrected electrode structure is calculated.

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