CN-122029640-A - Method and device for forming a three-dimensional electrode structure and method and device for calculating shape parameters of a three-dimensional electrode structure formed thereby

CN122029640ACN 122029640 ACN122029640 ACN 122029640ACN-122029640-A

Abstract

The present invention relates to a method and apparatus for forming a three-dimensional electrode structure, and a method and apparatus for calculating shape parameters of the three-dimensional electrode structure formed thereby. The method for forming a three-dimensional electrode structure according to an embodiment of the present invention may include a coating process step in which a coating process simulator determines the sizes of domains and voxels based on design parameters input for the three-dimensional electrode structure and forms an active material, a conductive additive and a binder (CBD) and a current collector within the domains using the design parameters, and a rolling process step in which the rolling process simulator simulates a rolling process of the domains using machine parameters input for the three-dimensional electrode structure and corrects a structural deformation error of the rolled domains.

Inventors

Pu Zhunan
PU XUANHAO
JIN JIONGSHI
Li baola
Zheng Yinshu

Assignees

株式会社LG新能源

Dates

Publication Date: 20260512
Application Date: 20240620
Priority Date: 20231122

Claims (20)

1. A method of generating a three-dimensional electrode structure using a three-dimensional electrode structure generating device, the method comprising the steps of: A coating process step of determining, by a coating process simulator, dimensions of domains and voxels based on design parameters input for the three-dimensional electrode structure and generating active materials, conductive additives and binders (CBDs) and current collectors in the domains using the design parameters, and A rolling process step of simulating a rolling process of the domain by a rolling process simulator using mechanical parameters input for the three-dimensional electrode structure, and correcting a structural deformation error of the rolled domain.
2. The method of claim 1, wherein, The coating process step further comprises the steps of: Repeatedly generating the active material until a generation error of the active material generated in the domain falls within a preset error range.
3. The method of claim 2, wherein, The step of repeatedly generating the active material further comprises the steps of: A step of determining whether the volume factor of the active material is within a preset error range, and And a step of changing a condition related to generation of the active material when it is determined that the volume factor of the active material is outside the preset error range.
4. The method of claim 1, wherein, The coating process step further comprises the steps of: A step of generating the CBD in the pores generated in the domain; A step of growing the CBD in a stepwise manner such that the CBD generated in the pores does not invade the active material region adjacent to the pores, and And a step of removing the volume of the grown CBD and changing the growth direction of the CBD to regrow the CBD when the generation error of the grown CBD does not fall within a preset error range.
5. The method of claim 4, wherein, The step of generating the CBD further comprises the steps of: determining whether said CBD is generated in said pores generated in said domain, and And a step of removing the CBD generated outside the pore and changing a condition related to the generation of the CBD to regenerate the CBD when it is determined that the CBD is generated outside the pore.
6. The method of claim 4, wherein, The step of growing the CBD in a stepwise manner further comprises the steps of: determining whether said grown CBD is generated in said pores generated in said domain, and And a step of removing the volume of the CBD grown outside the pores and changing a growth direction of the CBD to regrow the CBD when it is determined that the volume of the grown CBD is generated outside the pores.
7. The method of claim 1, wherein, The calendaring process step further comprises the steps of: determining whether a deformation error calculated using a difference in volumes of the active material or the CBD before and after rolling falls within a preset error range, and Changing the distribution group of voxels located at the surface of the active material or the CBD until the deformation error falls within a preset error range.
8. The method of claim 1, wherein, The calendaring process step further comprises the steps of: Determining whether a rebound simulation is required based on characteristics of the three-dimensional electrode structure, and When it is determined that the rebound simulation is required, a step of executing the rebound simulation using the stress values calculated in the rolling process simulation.
9. The method of claim 1, wherein, The calendaring process step further comprises the steps of: Determining whether a lamination process simulation is required based on characteristics of the three-dimensional electrode structure, and When it is determined that the lamination process simulation is required, the step of the lamination process simulation is performed by receiving additional inputs of machine parameters required for the lamination process and calculating a roll pressure.
10. The method of claim 1, further comprising the step of: When the three-dimensional electrode structure generated through the coating process step and the rolling process step is a negative electrode structure, an activation process step is performed, Wherein the activating process step comprises the following steps: A step of generating a half cell structure of the three-dimensional electrode structure by an activation process simulator by using electrochemical parameters input for the three-dimensional electrode structure; a step of simulating a battery charging process of the half cell structure by the activation process simulator to calculate a lithium ion concentration value in the active material according to a lithiated State (SOL) of the three-dimensional electrode structure, and And a step of generating the three-dimensional electrode structure for each SOL by simulating active material expansion by using the amount of change in the lithium ion concentration value in the active material by the activation process simulator.
11. A method for calculating shape parameters of a three-dimensional electrode structure generated by a method according to any one of claims 1 to 10, The method further comprises the step of calculating, by a processor, shape parameters for the three-dimensional electrode structure by using the physical property parameters entered for the three-dimensional electrode structure.
12. A three-dimensional electrode structure generating apparatus, the apparatus comprising: a processor configured to receive inputs of design parameters and mechanical parameters and generate a three-dimensional electrode structure based on the design parameters and the mechanical parameters; a coating process simulator configured to simulate a coating process by determining the dimensions of domains and voxels based on the design parameters and generating active materials, conductive additives and binders (CBDs) and current collectors in the domains using the design parameters, and A rolling process simulator configured to simulate a rolling process of the domain using the mechanical parameters, and simulate the rolling process by correcting structural deformation errors of the rolled domain.
13. The apparatus of claim 12, wherein, The coating process simulator is configured to repeatedly generate the active material until a generation error of the active material generated in the domain falls within a preset error range.
14. The apparatus of claim 13, wherein, The coating process simulator is configured to determine whether a volume factor of the active material is within a preset error range, and to change a condition related to generation of the active material when the volume factor of the active material is determined to be outside the preset error range.
15. The apparatus of claim 12, wherein, The coating process simulator is configured to: generating the CBD in pores generated in the domain, growing the CBD in a stepwise manner such that the CBD generated in the pores does not invade an active material region adjacent to the pores, and When the generation error of the grown CBD does not fall within a preset error range, the volume of the grown CBD is removed and the growth direction of the CBD is changed to regrow the CBD.
16. The apparatus of claim 15, wherein, The coating process simulator is configured to determine whether the CBD is generated in the pores generated in the domain, and when it is determined that the CBD is generated outside the pores, remove the CBD generated outside the pores and change a condition related to the generation of the CBD to regenerate the CBD.
17. The apparatus of claim 15, wherein, The coating process simulator is configured to determine whether the grown CBD is generated in the pores generated in the domain, and when it is determined that the volume of the grown CBD is generated outside the pores, remove the volume of the CBD grown outside the pores and change a growth direction of the CBD to regrow the CBD.
18. The apparatus of claim 12, wherein, The rolling process simulator is configured to determine whether a deformation error calculated using a difference in volumes of the active material or the CBD before and after rolling falls within a preset error range, and change an allocation group of voxels located at a surface of the active material or the CBD until the deformation error falls within the preset error range.
19. The apparatus of claim 12, wherein, The rolling process simulator is configured to determine whether a springback simulation is required based on characteristics of the three-dimensional electrode structure, and when it is determined that the springback simulation is required, to perform the springback simulation using stress values calculated in the rolling process simulation.
20. The apparatus of claim 12, wherein, The calendaring process simulator is configured to determine whether a lamination process simulation is required based on the characteristics of the three-dimensional electrode structure and, when it is determined that the lamination process simulation is required, to perform the lamination process simulation by receiving additional inputs of machine parameters required for the lamination process and calculating a roller pressure.

Description

Method and device for forming a three-dimensional electrode structure and method and device for calculating shape parameters of a three-dimensional electrode structure formed thereby Technical Field Cross Reference to Related Applications The present application claims priority and benefit from korean patent application No. 10-2023-0163658 filed on the date of 2023, 11 and 22 at the korean intellectual property department, the entire contents of which are incorporated herein by reference. The present invention relates to a method and an apparatus for generating a three-dimensional electrode structure, and a method and an apparatus for calculating shape parameters of the three-dimensional electrode structure thus generated. Background Digital twinning techniques are techniques that create twinning of real world objects in a virtual space on a computer and predict results by simulating what may happen in the real world. The digital twin technology can be used in research and development of secondary batteries. That is, by modeling the three-dimensional electrode structure of the secondary battery in the virtual space of the computer using the digital twin technique and verifying the characteristics of the generated three-dimensional electrode structure, the cost and time used in the actual secondary battery process can be reduced. In this regard, korean patent application publication No. 10-2021-0063821 discloses a "method of modeling a three-dimensional electrode structure using digital twin technique". It is noted that the shape of the electrode structure may be changed depending on the design and production process conditions of the battery cells and electrodes, but the above-described method has a problem in that it cannot generate a structure reflecting the deformation of the cell electrode due to the design and production process of the battery cells and electrodes, thereby lacking practicality. Disclosure of Invention Technical problem The present invention seeks to provide an apparatus and method capable of generating a three-dimensional electrode structure in consideration of design and production process conditions of battery cells and cell electrodes, and calculating shape parameters of the generated three-dimensional electrode structure. Technical proposal The method for generating a three-dimensional electrode structure according to an exemplary embodiment of the present invention may include a coating process step of determining the sizes of domains and voxels based on design parameters input for the three-dimensional electrode structure by a coating process simulator and generating an active material, a conductive additive and a binder (CBD) and a current collector in the domains using the design parameters, and a rolling process step of simulating a rolling process of the domains by a rolling process simulator using mechanical parameters input for the three-dimensional electrode structure and correcting a structural deformation error of the rolled domains. The coating process step may further include the step of repeatedly generating the active material until a generation error of the active material generated in the domain falls within a preset error range. The step of repeatedly generating the active material further includes the steps of determining whether a volume factor of the active material is within a preset error range, and changing a condition related to the generation of the active material when the volume factor of the active material is determined to be outside the preset error range. The coating process step may further include the steps of generating the CBD in the pores generated in the domains, growing the CBD in a stepwise manner such that the CBD generated in the pores does not invade an active material region adjacent to the pores, and removing the volume of the grown CBD and changing a growth direction of the CBD to regrow the CBD when a generation error of the grown CBD does not fall within a preset error range. The step of generating the CBD may further include the step of determining whether the CBD is generated in the pores generated in the domain, and the step of removing the CBD generated outside the pores and changing conditions related to the generation of the CBD to regenerate the CBD when it is determined that the CBD is generated outside the pores. The step of growing the CBD in a stepwise manner may further comprise the steps of determining whether the grown CBD is generated in the pores generated in the domain, and removing the volume of the CBD grown outside the pores and changing the growth direction of the CBD to regrow the CBD when it is determined that the volume of the grown CBD is generated outside the pores. The rolling process may further include the steps of determining whether a deformation error calculated using a difference in volumes of the active material or the CBD before and after rolling falls within a preset error range, and changing an all