Method and system for designing three-dimensional electrode structure
The method addresses the challenge of predicting resistivity in three-dimensional electrode structures by calculating and adjusting variables and shapes to reflect the influence of conductive materials and binders, enhancing the accuracy of electrical conductivity estimation.
Patent Information
- Authority / Receiving Office
- WO · WO
- Patent Type
- Applications
- Current Assignee / Owner
- LG ENERGY SOLUTION LTD
- Filing Date
- 2025-12-05
- Publication Date
- 2026-07-02
Smart Images
Figure KR2025020840_02072026_PF_FP_ABST
Abstract
Description
3D Electrode Structure Design Method and System
[0001] Cross-citation with related application(s)
[0002] This application claims the benefit of priority based on Korean Patent Application No. 10-2024-0193889 filed on December 23, 2024, and all contents disclosed in the document of said Korean patent application are incorporated herein as part of this specification.
[0003] The present invention relates to a method and system for designing a three-dimensional electrode structure.
[0004] Digital twin technology is a technology that implements real-world objects in a virtual space within a computer to simulate various situations that may occur in reality and predict the results. This digital twin technology can be utilized in the research and development of secondary batteries. In other words, by modeling the three-dimensional electrode structure of a secondary battery in a virtual space within a computer using digital twin technology and verifying the characteristics of this three-dimensional electrode structure, the cost and time used in the actual secondary battery manufacturing process can be reduced.
[0005] Meanwhile, since the 3D electrode structure formed by conventional digital twin technology is at the micro-scale level, it is difficult to individually distinguish nano-sized conductive materials and binders within the 3D electrode structure. As a result, there are limitations in accurately predicting the resistivity of the 3D electrode structure based on the shape of the conductive materials and binders.
[0006] The present invention aims to provide a method and system for designing a three-dimensional electrode structure that can form a three-dimensional electrode structure and calculate the resistivity of the three-dimensional electrode structure according to the shape of the conductive material and binder included therein.
[0007] A three-dimensional electrode structure design system according to one embodiment of the present invention comprises: a structure forming unit that forms a CBD structure using a first design parameter input for a conductive additive and binder (CBD) structure and forms the electrode structure using a second design parameter input for an electrode structure; a calculation unit that calculates the effective electrical conductivity of the CBD structure using the intrinsic electrical conductivity of the conductive additive and the intrinsic electrical conductivity of the binder, calculates the effective electrical conductivity of the electrode structure using the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, and the intrinsic electrical conductivity of the current collector, and calculates the calculated resistivity of the electrode structure by converting the effective electrical conductivity of the electrode structure into an inverse; a correction unit that calculates a deviation by comparing the calculated resistivity with a target resistivity and corrects a variable or shape of the electrode structure in a direction that minimizes the deviation; and the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, and the intrinsic electrical conductivity of the current collector included in the corrected electrode structure. and may include a backtracking unit that calculates a third design parameter.
[0008] The above structure forming part may include a conductive material and binder structure forming part that sets the size of the domain and voxel based on the first design parameter and forms a conductive material within the domain using the first design parameter.
[0009] The above-described structure forming part may include an electrode structure forming part that sets the size of the domain and voxel based on the second design parameter and forms an active material, CBD particles, and a current collector within the domain using the second design parameter.
[0010] The above calculation unit may include an effective electrical conductivity calculation unit that calculates the effective electrical conductivity of the CBD structure based on the Laplace equation and Ohm's Law.
[0011] The above calculation unit may include a resistivity calculation unit that calculates the effective electrical conductivity of the electrode structure by substituting the effective electrical conductivity of the CBD structure into the intrinsic electrical conductivity of the CBD particle.
[0012] The correction unit may calculate the deviation between the calculated resistivity and the target resistivity, perform a correction for the electrode structure if the deviation is greater than or equal to a predetermined reference value, and not perform a correction for the electrode structure if the deviation is less than a predetermined reference value.
[0013] The correction unit can correct the electrode structure by 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 a predetermined reference value, and when the target resistivity is smaller than the calculated resistivity, increasing the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, or the intrinsic electrical conductivity of the current collector.
[0014] The correction unit can correct the electrode structure by 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 a predetermined reference value, and when the target resistivity is greater than the calculated resistivity, reducing the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, or the intrinsic electrical conductivity of the current collector.
[0015] The correction unit can correct the electrode structure by 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 a predetermined reference value, and when the target resistivity is smaller than the calculated resistivity, by dispersing CBD particles within the domain of the electrode structure.
[0016] The correction unit can correct the electrode structure by 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 a predetermined reference value, and when the target resistivity is greater than the calculated resistivity, by aggregating the CBD particles within the domain of the electrode structure.
[0017] The correction unit may additionally form CBD particles within the domain of the electrode structure when the volume difference between the CBD particles within the electrode structure with the corrected shape and the CBD particles within the electrode structure before the corrected shape is greater than or equal to a predetermined reference value.
[0018] The correction unit can calculate the calculated resistivity of the corrected electrode structure and determine whether it is necessary to repeat the correction of the electrode structure 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.
[0019] A method for designing a three-dimensional electrode structure according to an embodiment of the present invention comprises: a structure forming unit forming the CBD structure using first design parameters input for a conductive additive and binder (CBD) structure; a calculation unit calculating the effective electrical conductivity of the CBD structure using the intrinsic electrical conductivity of the conductive additive and the intrinsic electrical conductivity of the binder; a step in which the structure forming unit forms the electrode structure using second design parameters input for the electrode structure; a calculation unit calculating the effective electrical conductivity of the electrode structure using the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, and the intrinsic electrical conductivity of the current collector; a step in which the effective electrical conductivity of the electrode structure is converted into an inverse to calculate the calculated resistivity of the electrode structure; a correction unit calculating a deviation by comparing the calculated resistivity with a target resistivity and correcting a variable or shape of the electrode structure in a direction that minimizes the deviation; and a backtracking unit, the intrinsic electrical conductivity of the active material included in the corrected electrode structure, It may include a step of calculating the intrinsic electrical conductivity of the CBD particles, the intrinsic electrical conductivity of the current collector, and a third design parameter.
[0020] The step of calculating the effective electrical conductivity of the CBD structure may include the step of the structure forming unit setting the size of the domain and the voxel based on the first design parameter, and the step of forming a conductive material within the domain using the first design parameter.
[0021] The step of calculating the resistivity of the electrode structure may include the step of the structure forming unit setting the size of the domain and the voxel based on the second design parameter, and the step of forming an active material, CBD particles, and a current collector within the domain using the second design parameter.
[0022] The step of calculating the calculated resistivity of the electrode structure may include the step of the calculation unit calculating the effective electrical conductivity of the electrode structure by substituting the effective electrical conductivity of the CBD structure into the intrinsic electrical conductivity of the CBD particle.
[0023] The step of correcting a variable or shape of the electrode structure may include the correction unit calculating a deviation between the calculated resistivity and the target resistivity, and performing a correction on the electrode structure if the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, and not performing a correction on the electrode structure if the deviation between the calculated resistivity and the target resistivity is less than a predetermined reference value.
[0024] The step of correcting a variable or shape of the electrode structure comprises: a step of calculating a 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; a step of 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 a predetermined reference value; a step of correcting the electrode structure by increasing the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, or the intrinsic electrical conductivity of the current collector when the target resistivity is smaller than the calculated resistivity; a step of correcting the electrode structure by decreasing the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, or the intrinsic electrical conductivity of the current collector when the target resistivity is larger than the calculated resistivity; and a step of calculating the calculated resistivity of the corrected electrode structure.
[0025] The step of correcting the variables or shape of 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; if the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, comparing the magnitudes of the calculated resistivity and the target resistivity; if the target resistivity is smaller than the calculated resistivity, dispersing CBD particles within the domain of the electrode structure to correct the electrode structure; and if the target resistivity is larger than the calculated resistivity, aggregating CBD particles within the domain of the electrode structure to correct the electrode structure.
[0026] The step of correcting the variable or shape of the electrode structure may include: determining whether the volume deviation between the CBD particles in the corrected electrode structure and the CBD particles in the electrode structure before correction is less than a predetermined reference value; if the volume deviation between the CBD particles in the corrected electrode structure and the CBD particles in the electrode structure before correction is greater than or equal to a predetermined reference value, additionally forming CBD particles within a domain of the electrode structure; and if the volume deviation between the CBD particles in the corrected electrode structure and the CBD particles in the electrode structure before correction is less than a predetermined reference value, calculating the calculated resistivity of the corrected electrode structure.
[0027] According to one embodiment of the present invention, the resistivity of a three-dimensional electrode structure can be calculated according to the shape of the conductive material and binder included in the three-dimensional electrode structure.
[0028] In addition, according to one embodiment of the present invention, intrinsic physical properties, design parameters, or shape information of a conductive material and a binder of a three-dimensional electrode structure having a target resistivity can be obtained.
[0029] The effects obtainable from the present disclosure are not limited to those mentioned above, and other unmentioned effects will be clearly understood by those skilled in the art to which the present disclosure belongs from the description below.
[0030] FIG. 1 is a block diagram of a three-dimensional electrode structure design system according to one embodiment of the present invention.
[0031] FIGS. 2 to 4 are examples of CBD structures formed by a CBD structure forming part according to an embodiment of the present invention.
[0032] FIGS. 5a and 5b are examples of an electrode structure formed by an electrode structure forming part according to an embodiment of the present invention.
[0033] Figure 6 is a graph showing the effective electrical conductivity of the CBD structure according to the content ratio of the conductive material to the binder.
[0034] FIG. 7 illustrates the process of a correction unit according to an embodiment of the present invention correcting the shape of an electrode structure using a shape tracking algorithm.
[0035] FIG. 8 is a flowchart of a method for designing a three-dimensional electrode structure according to an embodiment of the present invention.
[0036] FIG. 9 is a flowchart of the electrode structure correction step according to one embodiment of the present invention.
[0037] FIG. 10 is a flowchart of an electrode structure correction step according to another embodiment of the present invention.
[0038] In describing the embodiments disclosed in this specification, detailed descriptions of related prior art are omitted if it is determined that such detailed descriptions may obscure the essence of the embodiments disclosed in this specification. Furthermore, the attached drawings are intended only to facilitate understanding of the embodiments disclosed in this specification, and the technical concept disclosed in this specification is not limited by the attached drawings; it should be understood that they include all modifications, equivalents, and substitutions that fall within the spirit and technical scope of the invention.
[0039] Terms including ordinal numbers, such as first, second, etc., may be used to describe various components, but said components are not limited by said terms. These terms are used solely for the purpose of distinguishing one component from another.
[0040] When it is stated that one component is "connected" or "connected" to another component, it should be understood that while it may be directly connected or connected to that other component, there may also be other components in between. On the other hand, when it is stated that one component is "directly connected" or "directly connected" to another component, it should be understood that there are no other components in between.
[0041] In this application, terms such as “comprising” or “having” are intended to specify the existence of the features, numbers, steps, actions, components, parts, or combinations thereof described in the specification, and should be understood as not precluding the existence or addition of one or more other features, numbers, steps, actions, components, parts, or combinations thereof.
[0042] The present invention will be described in detail below with reference to the attached drawings.
[0043] FIG. 1 is a block diagram of a three-dimensional electrode structure design system (10) according to one embodiment of the present invention.
[0044] Referring to FIG. 1, a three-dimensional electrode structure design system (10) according to one embodiment of the present invention may include a processor (100) and a memory (200).
[0045] The processor (100) can form a three-dimensional structure and can calculate the effective electrical conductivity and resistivity representing the electrical characteristics of the formed three-dimensional structure. The processor (100) can correct the three-dimensional structure using the effective electrical conductivity and resistivity of 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 a backtracking unit (140).
[0046] The structure forming unit (110) can form a three-dimensional structure using design parameters received from an external source. Here, the external source may be a user terminal or a higher-level controller, etc. According to an embodiment, the structure forming unit (110) may include a conductive material and binder structure forming unit (110) and an electrode structure forming unit (112).
[0047] The conductive additive and binder (CBD) structure forming unit (111) can form a three-dimensional structure (hereinafter referred to as a 'CBD structure') for the conductive additive and binder (CBD). The CBD structure forming unit (111) can set the size of the domain and the voxel based on the first design parameter input for the CBD structure. The CBD structure forming unit (111) can form a conductive additive within the domain using the first design parameter. At this time, the part within the domain other than the part corresponding to the conductive additive corresponds to the binder.
[0048] Here, the first design parameter refers to a variable required to form a CBD structure and may include the true density of the conductive material and binder, the content ratio of the conductive material and binder, the shape and diameter of the conductive material particles, the fiber curl index, etc.
[0049] According to an embodiment, the CBD structure forming unit (111) can set the size of the domain based on the shape and diameter of the conductive material particles, and can set the size of the voxel based on the size of the domain. For example, the CBD structure forming unit (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 greater than or equal to 2). In addition, the size of the voxel is 1 / 10 based on the size of the domain. N (Here, N can be set to a natural number greater than or equal to 2). At this time, the size of the domain and voxel set by the CBD structure forming unit (111) may be in the nano unit. However, the size of the domain and voxel set by the CBD structure forming unit (111) is not limited thereto and can be freely set as needed. According to an embodiment, the size of the domain and voxel may be set by a user and input through the processor (100) as a first design parameter.
[0050] FIGS. 2 to 4 are examples of CBD structures formed by a CBD structure forming part (111) according to an embodiment of the present invention.
[0051] FIG. 2(a) is an example of a CBD structure including a fibrous conductive material, FIG. 2(b) is an example of a CBD structure including a particulate conductive material, and FIG. 2(c) is an example of a CBD structure in which fibrous and particulate conductive materials are mixed. Referring to FIG. 2(a) to (c), the CBD structure formed by the CBD structure forming part (111) according to an embodiment of the present invention may include a conductive material having various shapes and diameters.
[0052] FIGS. 3(a) to (c) are examples of CBD structures including a fibrous conductive material, and among the first design parameters, the true density of the conductive material and the binder, the content ratio of the conductive material to the binder, and the diameter of the fibrous conductive material are the same, but the CBD structures have different Curl-Indx. Referring to FIGS. 3(a) to (c), it can be seen that the shape of the conductive material formed within the domain by the CBD structure forming part (111) varies depending on the fiber bending rate included in the first design parameter.
[0053] FIGS. 4(a) to 4(e) are examples of CBD structures including a fibrous conductive material, and examples of CBD structures in which the content ratio of the conductive material to the binder among the first design parameters is different from each other. FIG. 4(a) is an example of a CBD structure in which the content ratio of the conductive material to the binder is 0.2 wt%, FIG. 4(b) is an example of a CBD structure in which the content ratio of the conductive material to the binder is 0.4 wt%, FIG. 4(c) is an example of a CBD structure in which the content ratio of the conductive material to the binder is 0.6 wt%, FIG. 4(d) is an example of a CBD structure in which the content ratio of the conductive material to the binder is 0.8 wt%, and FIG. 4(e) is an example of a CBD structure in which the content ratio of the conductive material to the binder is 1.0 wt%. Referring to FIG. 4 (a) to (e), it can be seen that the volume ratio of the conductive material formed within the domain by the CBD structure forming part (111) varies depending on the content ratio of the conductive material to the binder included in the first design parameter.
[0054] The electrode structure forming unit (112) can form a three-dimensional structure for the electrode (hereinafter referred to as the 'electrode structure'). The electrode structure forming unit (112) can set the size of the domain and the voxel based on the second design parameter input for the electrode structure. The electrode structure forming unit (112) can form active material, conductive additive and binder (CBD) particles and current collectors within the domain using the second design parameter.
[0055] Here, the second design parameter refers to a variable required to form an 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 the conductive material to the binder, the degree of CBD dispersion, the thickness of the current collector, etc.
[0056] According to an embodiment, the electrode structure forming unit (112) may set the size of the domain and the voxel based on the diameter of the active material particle. For example, the electrode structure forming unit (112) may set the size of the domain and the voxel to N times (where N is a natural number greater than or equal to 2) based on the diameter of the largest active material particle, and the size of the voxel to 1 / M times (where M is a natural number greater than or equal to 2) based on the diameter of the smallest active material particle. At this time, the size of the domain and the voxel set by the electrode structure forming unit (112) may be in the micro unit. However, the size of the domain and the voxel set by the electrode structure forming unit (112) is not limited thereto and may be freely set as needed. According to an embodiment, the size of the domain and the voxel may be set by a user and input through the processor (100) as a second design parameter.
[0057] FIGS. 5a and FIGS. 5b are examples of electrode structures formed by an electrode structure forming part (112) according to an embodiment of the present invention.
[0058] Fig. 5a (a) shows that the true density of the conductive material is 2 g / cm³3 And, the true density of the binder is 1.78 g / cm³ 3 This is an example of an electrode structure formed by an electrode structure in the case where the content ratio of the conductive material to the binder is 1:5 wt% and the CBD dispersion is 0.04071. Fig. 5a (b) is a cross-section cut along A1-A2 in Fig. 5a (a).
[0059] Figure 5b (a) shows that the true density of the conductive material is 2 g / cm³ 3 And, the true density of the binder is 1.78 g / cm³ 3 This is an example of an electrode structure formed by an electrode structure in the case where the content ratio of the conductive material to the binder is 1:5 wt% and the CBD dispersion is 0.07265. Fig. 5b (b) is a cross-section cut along B1-B2 in Fig. 5b (a).
[0060] Referring to FIGS. 5a and 5b, it can be seen that the shape of the electrode structure formed within the domain by the electrode structure forming part (112) changes depending on the CBD dispersion included in the second design parameter.
[0061] The calculation unit (120) can calculate the effective electrical 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 electrical conductivity calculation unit (121) and a resistivity calculation unit (122).
[0062] The effective electrical conductivity calculation unit (121) can calculate the effective electrical conductivity of the CBD structure. The effective electrical conductivity calculation unit (121) can calculate the effective electrical conductivity of the CBD structure using the intrinsic electrical conductivity of the conductive material and the intrinsic electrical conductivity of the binder. Here, the intrinsic electrical conductivity of the conductive material and the intrinsic electrical conductivity of the binder may be stored in memory (200). The effective electrical conductivity of the CBD structure calculated by the effective electrical conductivity calculation unit (121) may be calculated differently depending on the shape and size of the conductive material within the CBD structure and the content ratio of the conductive material to the binder.
[0063] At this time, various conventionally known methods may be applied to the method of calculating the effective electrical conductivity of the CBD structure using the intrinsic electrical conductivity of the conductive material and the intrinsic electrical conductivity of the binder. According to an embodiment, the effective electrical conductivity calculation unit (121) can calculate the effective electrical conductivity of the CBD structure based on the Laplace equation and Ohm's Law. For example, the effective electrical conductivity calculation unit (121) can perform numerical analysis on the CBD structure using the Laplace equation, simulate a situation in which current flows through the CBD structure to obtain the average current density and average electric field of the CBD structure, and calculate the effective electrical conductivity by dividing the average current density by the average electric field.
[0064] Figure 6 is a graph showing the effective electrical conductivity of the CBD structure according to the content ratio of the conductive material to the binder.
[0065] FIG. 6 shows the effective electrical conductivity calculated by the effective electrical conductivity calculation unit (121) according to an embodiment of the present invention for the CBD structures of FIG. 4. Referring to FIG. 6, it can be seen that the content ratio of the conductive material to the binder and the effective electrical conductivity of the CBD structure are proportional to each other.
[0066] The resistivity calculation unit (122) can calculate the calculated resistivity of the electrode structure. The resistivity calculation unit (122) can calculate the effective electrical conductivity of the electrode structure using the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, and the intrinsic electrical conductivity of the current collector.
[0067] Here, the intrinsic electrical conductivity of the active material and the intrinsic electrical conductivity of the current collector may be stored in memory (200). The resistivity calculation unit (122) may use the effective electrical conductivity of the CBD structure received from the effective electrical conductivity calculation unit (121) as the intrinsic electrical conductivity of the CBD particles. That is, the resistivity calculation unit (122) may calculate the calculated resistivity of the electrode structure by using the effective electrical conductivity of the CBD structure calculated by the effective electrical conductivity calculation unit (121) as the intrinsic electrical conductivity of the CBD particles formed within the domain of the electrode structure by the electrode structure forming unit (112).
[0068] Since the electrode structure is micro-sized, nano-sized conductive material and binder cannot be individually distinguished within the electrode structure. Consequently, the electrical characteristics obtained from the electrode structure do not reflect the influence of the shape characteristics of the conductive material and binder. On the other hand, when the resistivity calculation unit (122) according to one embodiment of the present invention calculates the electrical characteristics of the electrode structure (i.e., resistivity) that reflect the influence of the shape characteristics of the conductive material and binder, the electrical characteristics of the CBD structure are calculated and used to obtain the electrical characteristics of the electrode structure, thereby enabling the acquisition of electrical characteristics of the electrode structure that reflect the influence of the shape characteristics of the conductive material and binder.
[0069] At this time, various conventionally known methods may be applied to the method of calculating the effective electrical conductivity of the electrode structure using the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, and the intrinsic electrical conductivity of the current collector. According to an embodiment, the resistivity calculation unit (122) can calculate the effective electrical 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 on the electrode structure using the Laplace equation, simulate the situation in which current flows through the electrode structure to obtain the average current density and average electric field of the electrode structure, and calculate the effective electrical conductivity by dividing the average current density by the average electric field.
[0070] The resistivity calculation unit (122) can calculate the reciprocal of the effective electrical conductivity of the electrode structure as the calculated resistivity of the electrode structure.
[0071] The correction unit (130) can calculate a deviation by comparing the calculated resistivity with the target resistivity and correct the variables or shape of the electrode structure in a 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 through the 3D electrode structure design system (10), and may be a value received from an external source such as a user terminal or a higher-level controller. The variables of the electrode structure may include the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, or the intrinsic electrical conductivity of the current collector. The shape of the electrode structure may include the dispersion of the CBD particles within the domain of the electrode structure.
[0072] According to an embodiment, the correction unit (130) can calculate the deviation between the calculated resistivity and the target resistivity, and if the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, it performs a correction on the electrode structure, and if the deviation between the calculated resistivity and the target resistivity is less than a predetermined reference value, it does not perform a correction on the electrode structure.
[0073] The correction unit (130) can correct variables of the electrode structure using a variable tracking algorithm. According to an embodiment, the correction unit (130) can correct the electrode structure by comparing the magnitude of the target resistivity and the calculated resistivity and correcting at least one of the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, or the intrinsic electrical conductivity of the current collector. For example, if the target resistivity is greater than the calculated resistivity, the correction unit (130) can decrease the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, or the intrinsic electrical conductivity of the current collector, and if the target resistivity is smaller than the calculated resistivity, it can increase the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, or the intrinsic electrical conductivity of the current collector.
[0074] The correction unit (130) can correct the shape of the electrode structure using a shape tracking algorithm. According to an embodiment, the correction unit (130) can correct the shape of the electrode structure by comparing the magnitude of the target resistivity and the calculated resistivity to correct the dispersion of CBD particles within the domain of the electrode structure. For example, the correction unit (130) can aggregate the CBD particles within the domain of the electrode structure when the target resistivity is greater than the calculated resistivity, and disperse the CBD particles within the domain of the electrode structure when the target resistivity is smaller than the calculated resistivity.
[0075] According to an embodiment, the correction unit (130) may additionally form CBD particles within the domain of the electrode structure when the volume difference between the CBD particles within the corrected electrode structure and the CBD particles within the electrode structure before correction is greater than or equal to a predetermined reference value. At this time, the corrected electrode structure may be one in which the dispersion of CBD particles within the electrode structure domain has been corrected through a shape tracking algorithm. Through this, the volume of CBD particles within the electrode structure can be adjusted to remain constant even when the dispersion of CBD particles within the electrode structure is corrected.
[0076] The correction unit (130) calculates the calculated resistivity of the corrected electrode structure and determines 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. For example, the correction unit (130) may repeat the correction of the electrode structure if the deviation between the calculated resistivity of the corrected electrode structure and the target resistivity is greater than or equal to a predetermined reference value, and may not repeat the correction of the electrode structure if the deviation between the calculated resistivity of the corrected electrode structure and the target resistivity is less than a predetermined reference value.
[0077] FIG. 7 illustrates the process of a correction unit according to an embodiment of the present invention correcting the shape of an electrode structure using a shape tracking algorithm.
[0078] Sample 1 of FIG. 7 shows the process of correcting the shape of the electrode structure when the target resistivity is 5 Ohm, and Sample 2 of FIG. 7 shows the process of correcting the shape of the electrode structure when the target resistivity is 25 Ohm. Referring to FIG. 7, it can be seen that in the case of Sample 1, the resistivity of the electrode structure decreases as the number of corrections increases, and in the case of Sample 2, the resistivity of the electrode structure increases as the number of corrections increases.
[0079] The backtracking unit (140) can receive a corrected electrode structure from the correction unit (130). The backtracking unit (140) can calculate the intrinsic electrical conductivity of the active material included in the corrected electrode structure, the intrinsic electrical conductivity of the CBD particles, the intrinsic electrical conductivity of the current collector, and a third design parameter. At this time, the intrinsic electrical conductivity of the active material included in the corrected electrode structure, the intrinsic electrical conductivity of the CBD particles, the intrinsic electrical conductivity of the current collector, and the third design parameter may be values adjusted by the correction unit (130). Various conventionally known methods may be applied to the method of calculating the intrinsic electrical conductivity of the active material included in the corrected electrode structure, the intrinsic electrical conductivity of the CBD particles, the intrinsic electrical conductivity of the current collector, and the third design parameter.
[0080] Here, the third design parameter refers to a variable for the corrected 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 the conductive material to the binder, the degree of CBD dispersion, the current collector thickness, etc.
[0081] The backtracking unit (140) can provide the intrinsic electrical conductivity of the active material obtained from the corrected electrode structure, the intrinsic electrical conductivity of the CBD particles, the intrinsic electrical conductivity of the current collector, and the third design parameter to the user through a user terminal or an upper controller, etc.
[0082] FIG. 8 is a flowchart of a method for designing a three-dimensional electrode structure according to an embodiment of the present invention.
[0083] Referring to FIG. 8, a three-dimensional electrode structure design method according to one embodiment of the present invention may include a conductive material and binder structure formation step (S100), an electrode structure formation step (S200), an electrode structure correction step (S300), and a backtracking step (S400).
[0084] In the step of forming a conductive additive and binder structure (S100), the structure forming unit (110) forms a CBD structure using a first design parameter input for the conductive additive and binder (CBD) structure, and the calculation unit (120) can calculate the effective electrical conductivity of the CBD structure using the intrinsic electrical conductivity of the conductive additive and the intrinsic electrical conductivity of the binder.
[0085] According to an embodiment, the step of forming a conductive material and binder structure (S100) may include the step of the structure forming part (110) setting the size of the domain and voxel based on the first design parameter and the step of forming a conductive material within the domain using the first design parameter.
[0086] In the electrode structure formation step (S200), the structure forming unit (110) forms the electrode structure using the second design parameter input for the electrode structure, and the calculation unit (120) calculates the effective electrical conductivity of the electrode structure using the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particle, and the intrinsic electrical conductivity of the current collector, and can calculate the calculated resistivity of the electrode structure by converting the effective electrical conductivity of the electrode structure into an inverse.
[0087] According to an embodiment, the electrode structure formation step (S200) may include the step of the structure forming part (110) setting the size of the domain and the voxel based on the second design parameter and the step of forming an active material, CBD particles, and a current collector within the domain using the second design parameter.
[0088] According to an embodiment, the electrode structure formation step (S200) may include a step in which the calculation unit (120) calculates the effective electrical conductivity of the electrode structure by substituting the effective electrical conductivity of the CBD structure into the intrinsic electrical conductivity of the CBD particles.
[0089]
[0090] In the electrode structure correction step (S300), the correction unit (130) calculates a deviation by comparing the calculated resistivity with the target resistivity, and can correct the variables or shape of the electrode structure in a direction that minimizes the deviation.
[0091] According to an embodiment, the electrode structure correction step (S300) may include a correction unit (130) calculating a deviation between the calculated resistivity and the target resistivity, and a step of performing correction on the electrode structure if the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, and not performing correction on the electrode structure if the deviation between the calculated resistivity and the target resistivity is less than a predetermined reference value.
[0092] FIG. 9 is a flowchart of an electrode structure correction step (S300) according to one embodiment of the present invention.
[0093] Referring to FIG. 9, in the electrode structure correction step (S300) according to one embodiment of the present invention, the correction unit (130) can correct the variables of the electrode structure using a variable tracking algorithm.
[0094] According to an embodiment, the electrode structure correction step (S300) may include a step of 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); a step of 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 a predetermined reference value (S312); a step of correcting the electrode structure by increasing the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, or the intrinsic electrical conductivity of the current collector when the target resistivity is smaller than the calculated resistivity (S313); a step of correcting the electrode structure by decreasing the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, or the intrinsic electrical conductivity of the current collector when the target resistivity is larger than the calculated resistivity (S314); and a step of calculating the calculated resistivity of the corrected electrode structure (S340).
[0095] Meanwhile, in S311, if the deviation between the calculated resistivity and the target resistivity is less than a predetermined reference value, correction for the electrode structure may not be performed. That is, in the electrode structure correction step (S300), the correction unit (130) may repeatedly perform correction on the variables of the electrode structure until the deviation between the calculated resistivity and the target resistivity is less than a predetermined reference value.
[0096] FIG. 10 is a flowchart of an electrode structure correction step (S300) according to another embodiment of the present invention.
[0097] Referring to FIG. 10, in the electrode structure correction step (S300) according to one embodiment of the present invention, the correction unit (130) can correct the shape of the electrode structure using a shape tracking algorithm.
[0098] According to an embodiment, the electrode structure correction step (S300) includes: a step of 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); a step of comparing the magnitudes of the calculated resistivity and the target resistivity if the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value (S322); a step of correcting the electrode structure by dispersing CBD particles within the domain of the electrode structure if the target resistivity is smaller than the calculated resistivity (S323); a step of correcting the electrode structure by aggregating CBD particles within the domain of the electrode structure if the target resistivity is larger than the calculated resistivity (S324); a step of determining whether the volume deviation between the CBD particles within the corrected electrode structure and the CBD particles within the electrode structure before correction is less than a predetermined reference value (S325); and a step of additionally forming CBD particles within the domain of the electrode structure if the volume deviation between the CBD particles within the corrected electrode structure and the CBD particles within the electrode structure before correction is greater than or equal to a predetermined reference value. The method may include a step (S326), and a step (S327) of calculating the calculated resistivity of the corrected electrode structure when the volume difference between the CBD particles in the corrected electrode structure and the CBD particles in the pre-correction electrode structure is less than a predetermined reference value.
[0099] Meanwhile, in S321, if the deviation between the calculated resistivity and the target resistivity is less than a predetermined reference value, correction for the electrode structure may not be performed. That is, in the electrode structure correction step (S300), the correction unit (130) may repeatedly perform correction on the shape of the electrode structure until the deviation between the calculated resistivity and the target resistivity is less than a predetermined reference value.
[0100] In the parameter backtracking step (S400), the backtracking unit (140) can calculate the intrinsic electrical conductivity of the active material included in the corrected electrode structure, the intrinsic electrical conductivity of the CBD particles, the intrinsic electrical conductivity of the current collector, and the third design parameter.
[0101] Meanwhile, the above-described method can be written as a program that can be executed on a computer and can be implemented in a general-purpose digital computer that operates the program using a computer-readable recording medium. The computer-readable recording medium may include a storage medium such as a magnetic storage medium such as ROM, RAM, USB, floppy disk, or hard disk, or an optical reading medium such as a CD-ROM or DVD.
[0102] The scope of the present invention is defined by the claims set forth below rather than by the detailed description above, and all modifications or variations derived from the meaning and scope of the claims and equivalent concepts thereof should be interpreted as being included within the scope of the present invention.
Claims
1. A structure forming unit that forms a CBD structure using a first design parameter input for a conductive additive and binder (CBD) structure and forms an electrode structure using a second design parameter input for an electrode structure; A calculation unit that calculates the effective electrical conductivity of the CBD structure using the intrinsic electrical conductivity of the conductive material and the intrinsic electrical conductivity of the binder, calculates the effective electrical conductivity of the electrode structure using the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, and the intrinsic electrical conductivity of the current collector, and calculates the calculated resistivity of the electrode structure by converting the effective electrical conductivity of the electrode structure into an inverse; A correction unit that calculates a deviation by comparing the above-mentioned calculated resistivity with a target resistivity and corrects the variables or shape of the electrode structure in a direction that minimizes the deviation; and A backtracking unit comprising the intrinsic electrical conductivity of the active material included in the corrected electrode structure, the intrinsic electrical conductivity of the CBD particles, the intrinsic electrical conductivity of the current collector, and a third design parameter, 3D electrode structure design system.
2. In Paragraph 1, The above-mentioned structure forming part is, A conductive material and binder structure forming part that sets the size of a domain and a voxel based on the first design parameter and forms a conductive material within the domain using the first design parameter. 3D electrode structure design system.
3. In Paragraph 1, The above-mentioned structure forming part is, A electrode structure forming part comprising setting the size of the domain and voxel based on the second design parameter and forming an active material, CBD particles, and a current collector within the domain using the second design parameter, 3D electrode structure design system.
4. In Paragraph 1, The above calculation unit is, A valid electrical conductivity calculation unit comprising a valid electrical conductivity calculation unit that calculates the valid electrical conductivity of the CBD structure based on the Laplace equation and Ohm's Law, 3D electrode structure design system.
5. In Paragraph 1, The above calculation unit is, A resistivity calculation unit comprising a resistivity calculation unit that calculates the effective electrical conductivity of the electrode structure by substituting the effective electrical conductivity of the CBD structure into the intrinsic electrical conductivity of the CBD particles. 3D electrode structure design system.
6. In Paragraph 1, The above correction unit is, Calculate the deviation between the above calculated resistivity and the above target resistivity, perform correction on the electrode structure if the deviation is greater than or equal to a predetermined reference value, and do not perform correction on the electrode structure if the deviation is less than a predetermined reference value. 3D electrode structure design system.
7. In Paragraph 1, The above correction unit is, If the deviation between the above calculated resistivity and the above target resistivity is greater than or equal to a predetermined reference value, the magnitudes of the above calculated resistivity and the above target resistivity are compared, and If the above target resistivity is smaller than the above calculated resistivity, the electrode structure is corrected by increasing the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, or the intrinsic electrical conductivity of the current collector. 3D electrode structure design system.
8. In Paragraph 1, The above correction unit is, If the deviation between the above calculated resistivity and the above target resistivity is greater than or equal to a predetermined reference value, the magnitudes of the above calculated resistivity and the above target resistivity are compared, and If the above target resistivity is greater than the above calculated resistivity, the electrode structure is corrected by reducing the intrinsic electrical conductivity of the above active material, the intrinsic electrical conductivity of the above CBD particles, or the intrinsic electrical conductivity of the above current collector. 3D electrode structure design system.
9. In Paragraph 1, The above correction unit is, If the deviation between the above calculated resistivity and the above target resistivity is greater than or equal to a predetermined reference value, the magnitudes of the above calculated resistivity and the above target resistivity are compared, and If the above target resistivity is smaller than the above calculated resistivity, the electrode structure is corrected by dispersing CBD particles within the domains of the electrode structure. 3D electrode structure design system.
10. In Paragraph 1, The above correction unit is, If the deviation between the above calculated resistivity and the above target resistivity is greater than or equal to a predetermined reference value, the magnitudes of the above calculated resistivity and the above target resistivity are compared, and If the above target resistivity is greater than the above calculated resistivity, the electrode structure is corrected by aggregating CBD particles within the domains of the electrode structure. 3D electrode structure design system.
11. In Paragraph 1, The above correction unit is, If the volume difference between the CBD particles in the electrode structure with the above-mentioned shape corrected and the CBD particles in the electrode structure before the above-mentioned shape corrected is greater than or equal to a predetermined reference value, additionally forming CBD particles within the domain of the electrode structure, 3D electrode structure design system.
12. In Paragraph 1, The above correction unit is, Calculating the calculated resistivity of the above-mentioned corrected electrode structure, and determining whether it is necessary to repeat the correction of the electrode structure based on whether the deviation between the calculated resistivity of the above-mentioned corrected electrode structure and the target resistivity is greater than or equal to a predetermined value, 3D electrode structure design system.
13. A structure forming unit forms the CBD structure using a first design parameter input for the conductive additive and binder (CBD) structure, and a calculation unit calculates the effective electrical conductivity of the CBD structure using the intrinsic electrical conductivity of the conductive additive and the intrinsic electrical conductivity of the binder; A step in which the structure forming unit forms the electrode structure using a second design parameter input for the electrode structure, the calculation unit calculates the effective electrical conductivity of the electrode structure using the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particle, and the intrinsic electrical conductivity of the current collector, and calculates the calculated resistivity of the electrode structure by converting the effective electrical conductivity of the electrode structure into an inverse; A correction unit, the step of calculating a deviation by comparing the calculated resistivity with a target resistivity, and correcting a variable or shape of the electrode structure in a direction that minimizes the deviation; and The backtracking unit includes the step of calculating the intrinsic electrical conductivity of the active material included in the corrected electrode structure, the intrinsic electrical conductivity of the CBD particles, the intrinsic electrical conductivity of the current collector, and a third design parameter. 3D electrode structure design method.
14. In Paragraph 13, The step of calculating the effective electrical conductivity of the above CBD structure is, The above structure forming unit includes the step of setting the size of the domain and voxel based on the first design parameter; and A method comprising the step of forming a conductive material within a domain using the above-mentioned first design parameter, 3D electrode structure design method.
15. In Paragraph 13, The step of calculating the calculated resistivity of the above electrode structure is: The above structure forming unit includes the step of setting the size of the domain and voxel based on the second design parameter; and A method comprising the step of forming an active material, CBD particles, and a current collector within a domain using the above-mentioned second design parameters, 3D electrode structure design method.
16. In Paragraph 13, The step of calculating the calculated resistivity of the above electrode structure is: The above calculation unit includes the step of calculating the effective electrical conductivity of the electrode structure by substituting the effective electrical conductivity of the CBD structure into the intrinsic electrical conductivity of the CBD particle. 3D electrode structure design method.
17. In Paragraph 13, The step of correcting the variables or shape of the electrode structure above is, The correction unit comprises the step of calculating the deviation between the calculated resistivity and the target resistivity; and A step comprising: performing a correction for the electrode structure if the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, and not performing a correction for the electrode structure if the deviation between the calculated resistivity and the target resistivity is less than a predetermined reference value. 3D electrode structure design method.
18. In Paragraph 13, The step of correcting the variables or shape of the electrode structure above is, A step of 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; If the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, a step of comparing the magnitudes of the calculated resistivity and the target resistivity; If the target resistivity is smaller than the calculated resistivity, a step of correcting the electrode structure by increasing the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, or the intrinsic electrical conductivity of the current collector; If the target resistivity is greater than the calculated resistivity, the step of correcting the electrode structure by reducing the intrinsic electrical conductivity of the active material, the intrinsic electrical conductivity of the CBD particles, or the intrinsic electrical conductivity of the current collector; and A method comprising the step of calculating the calculated resistivity of the above-mentioned corrected electrode structure, 3D electrode structure design method.
19. In Paragraph 13, The step of correcting the variables or shape of the electrode structure above is, A step of 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; If the deviation between the calculated resistivity and the target resistivity is greater than or equal to a predetermined reference value, a step of comparing the magnitudes of the calculated resistivity and the target resistivity; If the above target resistivity is smaller than the above calculated resistivity, a step of correcting the electrode structure by dispersing CBD particles within the domains of the electrode structure; and If the above target resistivity is greater than the above calculated resistivity, the method includes the step of correcting the electrode structure by aggregating CBD particles within the domains of the electrode structure. 3D electrode structure design method.
20. In Paragraph 19, The step of correcting the variables or shape of the electrode structure above is, A step of determining whether the volume difference between the CBD particles in the corrected electrode structure and the CBD particles in the uncorrected electrode structure is less than a predetermined reference value; If the volume difference between the CBD particles in the corrected electrode structure and the CBD particles in the pre-correction electrode structure is greater than or equal to a predetermined reference value, a step of additionally forming CBD particles within the domain of the electrode structure; and A method comprising the step of calculating the calculated resistivity of the corrected electrode structure when the volume deviation between the CBD particles in the corrected electrode structure and the CBD particles in the uncorrected electrode structure is less than a predetermined reference value. 3D electrode structure design method.