KR101956266B1 - Virtual simulation method and electronic device for characteristic - Google Patents

Abstract

The present invention relates to a secondary battery characteristic simulation method and an electronic device supporting the same. An electronic device according to the present invention includes a memory for storing at least one data related to performing a secondary battery characteristic analysis on a computing device basis, and a processor electrically connected to the memory. The processor may include a lobby page configured to select at least one of the types of characteristics, or to select at least one material related to characterization of the secondary cell according to user input, or an input area that supports input of material- And an operation area including at least one of the result areas including the analysis result.

Description

TECHNICAL FIELD [0001] The present invention relates to a secondary battery characteristic simulation method and an electronic device supporting the secondary battery characteristic simulation method.

The present invention relates to a secondary battery characteristic simulation method and an electronic apparatus, and more particularly, to a method of providing a user interface capable of simulating the reliability of a secondary battery and stability of a pull cell structure using a computing device, will be.

BACKGROUND ART [0002] Conventional secondary batteries are widely used in electronic products and portable products such as mobile phones, notebooks, smart phones, and tablet PCs. In addition, as electric vehicles have recently become more prominent, secondary batteries with large capacity and high stability are demanded.

Such a secondary battery largely includes an anode, a cathode and an electrolyte. Carbon-based materials such as graphite are used as anode materials. As the cathode material, a metal oxide based material such as lithium cobalt oxide is used. Organic materials such as carbonates are used as electrolyte materials. As such, the materials used for the secondary battery are various.

Accordingly, in order to develop an optimal secondary battery material, it is important to quickly analyze various physical property parameters (composition, crystal structure, particle size, etc.) and change in properties depending on the surrounding conditions.

In order to collect such data, a great deal of experimentation and data preparation are required, so that a great deal of cost and manpower are required for research and development of secondary batteries.

Korean Patent No. 10-0918387 (September 15, 2009)

According to this demand, computer simulation is expected to be very useful in the development of materials for secondary batteries. However, since the initial entry barriers are high for experimental researchers to utilize computer simulation, these computer simulations have not been actively utilized in material development research.

From this point of view, it is expected that the development of a platform that enables easy novice experiment researchers to use computer simulations can be useful for material development and provide a new paradigm for material development in the future.

Accordingly, it is an object of the present invention to provide a secondary battery characteristic simulation method and an electronic device for supporting the same, which can simplify and simplify the stability simulation of the secondary battery reliability and the pull cell structure.

According to an aspect of the present invention, there is provided a secondary battery characteristic simulation method comprising: selecting at least one material related to a characteristic analysis of a secondary battery according to a user input; or performing a stress analysis, a crack propagation analysis, An input area for supporting the input of the material-related information corresponding to the user input, and a stress analysis result for the material, and a crack propagation analysis And outputting at least one of a result area and a result area including at least one analysis result of the result of the pull-cell analysis.

An electronic device supporting the secondary battery characteristic simulation of the present invention includes a memory for storing at least one data related to performing a secondary battery characteristic analysis on a computing device basis, and a processor electrically connected to the memory, A lobby page configured to select at least one material related to the analysis of the characteristics of the secondary battery according to the input or to select at least one of the types of the characteristics or an input area for supporting the input of information related to the material, And outputting one of the operation pages including at least one of the result areas including the analysis result.

The processor may be configured to output the lobby page configured to select at least one of the items or the selection of at least one material to be analyzed by the stress analysis item, the crack propagation analysis item, the pull-cell analysis item.

The processor includes at least one of a sample region for supporting a design of a geometric structure of a model related to stress analysis among the secondary battery characteristics, a mesh region for setting boundary conditions of the model, and a simulation region for setting an operation or execution condition of analysis Lt; RTI ID = 0.0 > a < / RTI >

The processor may be configured to output the mesh region that supports the setting of at least one of a fixed boundary condition or a lithium flux boundary condition.

The processor can be configured to handle analysis of a crack propagation model used in crack propagation simulations in silicon thin film.

The processor includes a system buffer area for supporting input of a material selection to be applied to the crack propagation analysis, at least one function icon related to analysis, and a model analysis An analysis region providing a result, a structural region visually indicating the degree of cracking, and a stress region indicating the degree of stress of lithium corresponding to the degree of lithium oxidation and Li concentration.

The processor may be configured to output an analysis region including an icon corresponding to a stress analysis item, a full-cell analysis item, and a crack analysis item, and output an analysis result of a model corresponding to the icon selected according to a user input.

The processor may include a material selection table area for selecting a material for the full cell analysis, an electrode work table area for selecting an electrode used for the full cell analysis, Lt; RTI ID = 0.0 > a < / RTI > full cell work table area in which a list of various materials is displayed.

Wherein the processor is configured to, in response to the request of the pull-cell analysis, generate an area for writing the anode property, a region for writing the cathode attribute, a material property area including the area for writing the electrolyte property, A simulation region for supporting writing of at least one of an open circuit voltage region outputting a relationship graph, a discharge current, a cutoff voltage, a time, a number of cycles, and an operation name to the operation page.

The processor is configured to generate 2D images for a cyclic behavior, a cyclic capacity icon to generate a 2D plot for capacity variation, a concentration icon to generate a 2D plot for Li concentration at each electrode, a SEI 2D image And an SEI icon to be displayed on the operation page.

The processor may be configured to output at least one of a capacity-versus-voltage analysis graph, a cyclic capacity graph, a concentration graph, and an SEI graph to the operation page in response to a user input.

As described above, the secondary battery characteristic simulation method and the electronic device supporting the present invention can easily and reliably analyze the reliability of the secondary battery and the stability of the pull cell.

Accordingly, the present invention can reduce the trial and error used in the development of secondary batteries, and can help optimize time, cost, and manpower.

1 is a schematic view of a secondary battery characteristics simulation platform according to an embodiment of the present invention,
2 is a diagram illustrating an example of a stress analysis model interface according to an embodiment of the present invention;
FIG. 3 is a sample area plot relating to the geometric structure design of a model according to an embodiment of the present invention,
Figure 4 illustrates an example of geometric structure types according to an embodiment of the present invention,
5 is a diagram illustrating an example of a sample model according to an embodiment of the present invention;
6 is a diagram related to mesh area setting according to an embodiment of the present invention;
7 is a diagram relating to density generation of a mesh according to an embodiment of the present invention,
FIG. 8 is a diagram relating to a mesh density setting input according to an embodiment of the present invention,
9 is a diagram illustrating examples of different mesh densities according to an embodiment of the present invention,
10 is a view showing an example having a mesh density of a predetermined size according to an embodiment of the present invention,
11 is a diagram relating to the operating conditions and execution of a stress analysis according to an embodiment of the present invention,
12 is a view showing one form of a plot among stress analysis results according to an embodiment of the present invention,
FIG. 13 is a graph showing a stress generation and a Li concentration graph among stress analysis results according to an embodiment of the present invention,
14 is a view showing an example of a crack propagation analysis interface according to an embodiment of the present invention;
15 is a view showing a finite element approximation formula used in a crack propagation analysis according to an embodiment of the present invention,
Figure 16 is a diagram illustrating a modified parallax approximation according to an embodiment of the present invention;
17 is a view showing a boundary condition of a crack propagation model according to an embodiment of the present invention,
18 is a diagram illustrating an example of model parameters related to crack propagation according to an embodiment of the present invention,
19 is a view showing an example of a pull cell structure according to an embodiment of the present invention;
20 is a view showing an example of a single particle full cell structure according to an embodiment of the present invention,
21 is a diagram of an active and an inactive SEI according to an embodiment of the present invention,
FIG. 22 is a view for explaining the reaction of the SEI according to the embodiment of the present invention,
23 is a diagram of an SEI growth image according to an embodiment of the present invention,
24 is a graph showing the activation SEI and passive SEI growth rates according to an embodiment of the present invention,
25 is a view illustrating an example of a lobby page related to a pull-cell analysis according to an embodiment of the present invention;
26 is a diagram illustrating material model selection and drawings relating to full-cell analysis according to an embodiment of the present invention,
27 is a diagram illustrating a status bar associated with an operation page change associated with the full-cell analysis according to an embodiment of the present invention;
28 is a view illustrating an example of a full cell analysis window according to an embodiment of the present invention;
29 is a view showing a material property input screen of the pull cell analysis window according to the embodiment of the present invention,
30 is a diagram relating to an open circuit voltage setting according to an embodiment of the present invention,
31 is a graph showing a volume amount and a voltage according to an embodiment of the present invention,
32 is a view showing a pull-cell simulation setting screen according to an embodiment of the present invention;
FIG. 33 is a diagram illustrating icons of a result of a full-cell analysis model according to an embodiment of the present invention;
FIG. 34 is a diagram illustrating a result of a full-cell analysis model according to an embodiment of the present invention,
35 is a view for explaining a method of simulating the characteristics of a secondary battery according to an embodiment of the present invention.

Hereinafter, embodiments of the present invention will be described in detail with reference to the accompanying drawings. In the following description, only parts necessary for understanding the embodiments of the present invention will be described, and the description of other parts will be omitted so as not to obscure the gist of the present invention.

The terms and words used in the present specification and claims should not be construed as limited to ordinary or dictionary meanings and the inventor is not limited to the meaning of the terms in order to describe his invention in the best way. It should be interpreted as meaning and concept consistent with the technical idea of the present invention. Therefore, the embodiments described in the present specification and the configurations shown in the drawings are merely preferred embodiments of the present invention, and are not intended to represent all of the technical ideas of the present invention, so that various equivalents And variations are possible.

Hereinafter, preferred embodiments of the present invention will be described in detail with reference to the accompanying drawings.

1 is a schematic view of a secondary battery characteristic simulation platform according to an embodiment of the present invention.

Referring to FIG. 1, the secondary battery simulation system may include a user device 100, a main server, a plurality of simulation servers, and a database 140.

The main server provides the server control service 110 to the user device 100 (e.g., a user computing device) and stores the data in the database 140 or the data stored in the database 140 to the user device 100 to provide.

A plurality of simulation servers may be represented by a calculation resource (HPC) 130 and perform simulations related to the secondary battery using different simulation software / potential 131. Specifically, the user device 100 accesses the main server based on the secondary battery characteristics simulation platform 120 (e.g., iBat platform), and performs operations related to the reliability material design through the user interface provided by the secondary battery characteristics simulation platform . The main server sends configuration information to the computing resource 130. Here, the main server can select at least one server from among the plurality of simulation servers to transmit the setting information.

The simulation server that receives the setting information calls the simulation software and potential 131 to perform a simulation, or performs a simulation through the data post-processing tool / technique 132, and stores the simulation result in the database 140. [ At this time, the main server interlocks with the database 140, and transmits the simulation intermediate result and the final result to the user device 100. Thereby, the user device 100 can confirm the simulation intermediate result and the final result through the main server connection.

Here, the simulation software and potential 131 may include first principles calculations, molecular dynamics, reactive force field, MEAM, phase field, finite element method commercial software, and in-house software.

The above-described secondary battery characteristic simulation system describes an example of performing the secondary battery characteristic simulation function based on the user device 100 connected to at least one of the servers (e.g., main server, simulation servers and database 140) However, the present invention is not limited thereto. For example, in the secondary battery characteristic simulation system, the main server, the simulation server, and the database 140 may be replaced by a processor in the user device 100, a memory and a simulation module (hardware or software module). The user device 100 further includes a display, an input unit (e.g., a keyboard, a mouse, etc.), and may provide various user interfaces related to the secondary battery characteristic simulation corresponding to user input.

Alternatively, the secondary battery characteristic simulation system may be constituted by one server device including a main server, a simulation server, and a database 140. In this case, the server device may provide at least one user interface to the user device 100 in connection with the user device 100 connection and user input, in connection with the secondary battery characteristic simulation. One server device includes a server processor, a server memory, a communication interface capable of communicating with the user device 100, and the like, and is capable of processing data transmission, user input reception, and the like in connection with the secondary battery characteristic simulation. Hereinafter, a user device 100 providing a secondary battery characteristics simulation platform or a secondary battery characteristic simulation function composed of a plurality of servers or a user related to a secondary battery characteristic simulation provided by a server through a display of the user device 100 The interface will be described.

The display of the user device 100 may output a lobby page and a task page in connection with material selection and analysis in connection with the secondary battery characteristic simulation. For example, if the user device 100 accesses a main server (e.g., server control service) based on a secondary battery characteristics simulation platform, the user device 100 may receive and output the lobby page from the main server. The lobby page may include an object capable of selecting at least one of a material selection related to secondary battery characteristic analysis or a secondary battery characteristic type (e.g., stress analysis, crack propagation, full cell analysis, etc.).

When the user device 100 generates an input specified in the lobby page, it can transmit the input to the main server and receive and output the operation page corresponding to the input. The lobby page and the operation page can be output to the display by the processor. In this operation, the user device 100 may store the data relating to the lobby page or the operation page in memory. Or at least one server provides data to the user device 100 in connection with the secondary battery characteristic simulation operation, the user device 100 can receive it and output it to the display. Accordingly, an electronic device supporting the secondary battery characteristic simulation of the present invention may include at least one of the at least one server and the user device 100 described above.

The secondary battery characteristic simulation platform of the present invention can be operated, for example, by a processor of the user device after being stored in the memory of the user device or after being stored in the memory of the server device. When the simulation platform is operated in the server device, the server device may provide at least one user interface to the user device in connection with the connection of the user device, in connection with the secondary battery characteristic simulation described below. Accordingly, the user interface described below can be generated, for example, at the server device and provided to the user device, or generated according to the processor control of the user device and output to the display of the user device.

The secondary battery characteristic simulation platform of the present invention can provide a page including at least one function execution of stress analysis, crack propagation analysis, and full cell analysis related to the secondary battery. For example, the secondary battery characteristics simulation platform can provide a lobby page including a stress analysis item, a crack propagation analysis item, and a full cell analysis item regarding the secondary battery. The secondary battery characteristic simulation platform can provide an operation page corresponding to the selected item when a specific item provided in the lobby page is selected.

Stress analysis items can provide model definition, model geometry, boundary conditions, meshing, input conditions related to operating conditions and execution, and results analysis areas according to inputs. The crack propagation analysis item may provide an input area associated with at least one of a model definition, a geometry of a model, a boundary condition, meshing, model parameters, settings and initial cracks, and a result analysis area according to the input. Full-cell analysis items include model definition, single-particle full-cell model, Li diffusion in active particles, Solid Electrolyte Interface (SEI) growth model, modeling materials selection for full-cell model simulation, An equilibrium open potential, a setting operating condition, and the like, and a result analysis area according to the input. Hereinafter, the pages corresponding to the above-described items will be described in correspondence with the pages.

2 is a view showing an example of a stress analysis model interface according to an embodiment of the present invention.

2, the stress analysis model interface of the present invention includes an input area including at least one of a sample area 201, a mesh area 202, and a simulation area 203, and an input area corresponding to items input in the input area And a result area 204 providing stress analysis results. The sample region 201 can be used to input the material properties of the sample. The mesh region 202 may be used to set boundary conditions. The simulation can be used to set experimental conditions.

With respect to stress analysis, a diffusion induced stress (DIS) model is used to analyze the mechanical stress of the electrode material for the use of Li-ion batteries. To identify the DIS for various electrode types, a full finite element scheme is obtained by simulating the stress induced by lithium insertion and extraction. Generally elastic cases are common, and the dynamics of materials, governing equations, equilibrium equations and conservation laws are fully applied. During the simulation, the stress analysis model can represent the lithium concentration distribution and the stresses of the electrodes designed in the web. The results of the interaction and the previously processed results are displayed as 3D images or 2D contour plots.

In the definition of the stress analysis model, the conservation law (the second law of the fix) which is connected to the stress effects is derived from the chemical potential as shown in the following equation (1).

[Equation 1]

Where ₀ is the initial chemical potential. R is the gas constant, T is the absolute temperature, X is the molar fraction of lithium ions, Ω is the molar volume of Li in Li _x Si, and σ _h is the isotropic stress expressed as the diagonal mean of the stress components.

The Li flux is expressed as the product of the chemical potential and the slope of the lithium diffusivities. The second equation of the fix is expressed by the following equation (2).

&Quot; (2) "

Where D is the diffusion coefficient and c is the lithium concentration.

During insertion or extraction of Li, the volume change of the host electrode can be assumed to change linearly with the volume of Li inserted. Therefore, the stress deformation relation of the elastic body is expressed by the following equation (3).

&Quot; (3) "

Where Y and v are the ratio of the longitudinal elastic modulus and the porosity as a function of the Li concentration. The stress component is expressed by the following equation (4).

&Quot; (4) "

이고,

이다. here,

ego,

to be.

Finally, the diffusion induced stress is obtained from Equation (5) corresponding to the following equilibrium equation.

&Quot; (5) "

The geometry of the example model applied to the stress analysis model consists of a 100 nm radius and a 1000 nm height nanowire. Electrode materials for simulation can be selected in the material database of the lobby page. The material in the tutorial is given as a silicon property. Users can insert new materials in addition to silicon materials.

FIG. 3 is a diagram of a sample region associated with a geometric structure design of a model according to an embodiment of the present invention. FIG. 4 is a diagram illustrating an example of geometric structure types according to an embodiment of the present invention, Fig. 7 is a diagram showing an example of a sample model according to the first embodiment.

3, in order to design a geometry of a model, a user selects a dimension (e.g., 2D or 3D) in the sample area 201 and selects a sample shape having a desired size Can be input. When the "Build" button 301 is selected after the information history, the secondary battery characteristic simulation platform can output the geometric structure corresponding to the input, as shown in FIG.

When the design of the geometric structure according to the input of the sample region of Fig. 3 is requested, it is a cylinder type, as shown in Fig. Radial and height 100nm and 1000nm models may be provided.

FIG. 6 is a diagram related to mesh area setting according to an embodiment of the present invention. FIG. 7 is a diagram related to generation of a density of a mesh according to an embodiment of the present invention. FIG. 8 is a diagram illustrating a mesh density setting according to an embodiment of the present invention. Fig. 9 is a view showing examples of different mesh densities according to an embodiment of the present invention. 10 is a view showing an example having a mesh density of a predetermined size according to an embodiment of the present invention.

Boundary conditions can be set in the mesh area 202. [ The boundary conditions selected in the mesh area 202 may be listed. For fixed boundary conditions, the 1, 2, 3, and 4 planes are selected using the planar selection icon in the fixed boundary tab 601. After clicking the plane selection icon in the flux boundary tab 602, the 9th, 10th, 11th, and 12th planes may be selected for the lithium flux boundary condition. A model having a boundary condition according to the setting in the mesh area 202 described above may be displayed as shown in FIG.

As shown in Fig. 8, the mesh is created in the density tap. The number of nodes in each line controls the element density in the model structure. Accordingly, as the number increases, the density increases, and as the number decreases, the density decreases. Depending on the size of the number of nodes, various mesh densities can be provided as shown in Fig. If the density is set to 7 for the density example for the model of the cylinder type set in the sample area, it can be displayed in the density as shown in FIG.

11 is a diagram relating to the operating conditions and the execution of the stress analysis according to the embodiment of the present invention.

As shown in FIG. 11, when the "submit" button 1001 is selected in the simulation area 203, the time, the charge rate, the number of cycles, the number of cycles, . In the drawing, the time unit is set to 10 seconds, and the charging rate is 2.0C (1c is the number of charge / discharge cycles for one hour). The example of the number of cycles is one.

FIG. 12 is a view showing a plot of a stress analysis result according to an embodiment of the present invention, and FIG. 13 is a graph showing a stress generation and a Li concentration graph in the stress analysis result according to an embodiment of the present invention.

12, the result analysis on the stress analysis model corresponding to the sample setting in the sample area 201, the boundary condition setting in the mesh area 202, the operation condition setting in the simulation area 203, Can be output to the result area. Simulation results of stress and Li concentration are divided at every iteration. In the 3D geometry, the contour plot of the intermediate surface is displayed in the left part of the result window. As shown in FIG. 13, a graph showing the stress level and the Li concentration appears to be proportional to the time during the simulation period.

14 is a view showing an example of a crack propagation analysis interface according to an embodiment of the present invention.

With respect to crack propagation, the battery is used for a long time, and capacity reduction is inevitable. While the battery undergoes a charge-discharge cycle, lithium diffuses into the anode leading to expansion and contraction of the volumetric measurement. This repeated volume change causes a change in the stress concentration, and finally increases the crack to the inside of the battery cell. The provided crack propagation model can be used for crack propagation simulations in a common silicon thin film used in battery anodes.

The diffusion equation is based on the second law of fix in the diffusion organic stress cycle. Once the diffusion equation is solved, the concentration of lithium ions and the corresponding stress distribution can be obtained. XFEM can be applied to crack propagation simulation. Simultaneous diffusion crack propagation analysis at electrodes considers large and nonlinear behavior.

The illustrated crack propagation analysis interface may include, for example, a system buffer region 1401, an analysis region 1402, a structure region 1403, and a stress region 1404. The system buffer area 1401 supports input of material selection to be applied to crack propagation analysis. The analysis area 1402 includes at least one function icon related to the analysis, and may provide another model analysis result according to the function icon selection. For example, the analysis area 1402 includes icons corresponding to stresses, pull cells, and cracks, and when the icon is selected, the analysis result of the corresponding model can be displayed. In the structure region 1403, the degree of crack occurrence can be visually displayed. In the stress region 1402, the degree of lithium oxidation and the degree of stress generation corresponding to the Li concentration can be shown.

FIG. 15 is a view showing a finite element approximation formula used in a crack propagation analysis according to an embodiment of the present invention, and FIG. 16 is a diagram illustrating a modified parallax approximation according to an embodiment of the present invention.

In the charge cycle, lithium ions diffuse into the anode. To simulate this, the diffusion equation as shown in Equation (6) should be solved.

&Quot; (6) "

This diffusion equation is based on the second law of the fix in the diffusion organic stress period as in the DIS model. By solving the diffusion equation, the concentration of lithium ions and the corresponding stress distribution can be obtained. XFEM can be applied to crack propagation simulation. XFEM is an abbreviation of extended finite element method which can simulate crack propagation without remeshing. First, XFEM defines the independent crack geometry of the mesh by level settings. And a specific value is assigned to a crack component called a crack tip element and an enhanced element. Finally, a finite element approximation equation as shown in Fig. 15 can be used.

On the other hand, the modified parallax approximation shown in Fig. 16 can be considered to explain the time effect. Diffusion takes more time than crack propagation. So some XFEM analysis can be resolved until the crack stops. The diffusion analysis is then resolved during the next iteration. The crack stopping criterion is defined by comparing the critical stress intensity factor and the effective delta K value. Simultaneous diffusion crack propagation analysis at electrodes considers large and nonlinear behavior.

17 is a diagram showing boundary conditions of a crack propagation model according to an embodiment of the present invention.

The model geometry is an amorphous silicon thin film with a width of 200 nm and a height of 50 nm in a finite element method (FEM) environment assumed to be a plane deformation condition. The thin film of silicon is lithium-oxidized by the repeating flux (filling rate) regulation on the upper surface. The geometric constraint means that the lower left end is higher than the lower right end as shown, and the upper free water surface of the film can be frictionless. Accordingly, in the illustrated model geometry, an initial crack may be applied to the left side intermediate portion.

18 is a view showing an example of model parameters related to crack propagation according to an embodiment of the present invention.

18, in the system buffer area 1401, items such as a crack item, a geometric structure item, a time unit item, a charge rate item, a circulation item, a diffusion coefficient item, a Young's modulus (GPa) item, a Shear modulus , A Poisson's ratio item, a volume expansion rate item, an initial crack location item, and a job name item. When a value for each of the above-mentioned items is inputted, the input relating to the crack propagation analysis can be completed. After the setting related to the crack propagation is completed, the job name item is written, and when the "submit" button 1801 is selected, the secondary battery characteristic simulation platform can perform calculation for crack propagation analysis. The results of the crack propagation analysis can be provided to the structure region 1403 and the stress region 1404, respectively, as shown in Fig.

FIG. 19 is a view showing an example of a pull cell structure according to an embodiment of the present invention, and FIG. 20 is a view showing an example of a single particle pull cell structure according to an embodiment of the present invention.

Referring to FIG. 19, the full-cell model provides a lithium-ion battery full-cell interface for characterizing charge-discharge behavior for a given set of material properties. This model can be used to investigate the impact of various design parameters for battery developers. Based on various studies, battery performance can be simulated under different operating conditions.

The single particle full cell model shown in FIG. 20 is a one-dimensional model. The negative electrode and the positive electrode are assumed to be isothermal single particles in one dimension. Potential in the electrolyte is assumed to be solution resistance. In addition, the potential change of the electrode is ignored, and the reaction current density is uniform in the electrode. These assumptions can provide adequate results in high conductivity electrodes and thin film structure electrodes. With respect to lithium diffusion in the active particles, the active particles in the electrode are considered as spherical particles having the same size. The second law of fix (Equation 7) is estimated to simulate lithium diffusion in the active particles in the positive and negative electrodes.

&Quot; (7) "

FIG. 21 is a diagram of an active and an inactive SEI according to an embodiment of the present invention, and FIG. 22 is a diagram illustrating a response of an SEI according to an embodiment of the present invention. FIG. 23 is a diagram illustrating an SEI growth image according to an embodiment of the present invention, and FIG. 24 is a diagram showing an activation SEI and a passive SEI growth rate according to an embodiment of the present invention.

The active and inactive SEI (Solid Electrolyte interface) cyclic growth model is simulated by the dynamics Monte Carlo rule. Phenomena such as adsorption, desorption, diffusion, and passive (or inactive) material formation are considered. Active (or active) SEI relates to desorption and diffusion, but the passive SEI layer is concerned with adsorption and formation of passive materials.

In Fig. 22, K ₁ , K ₂ are considered as a function in surface coverage Θ. η is (η = V ?? U _n ) and K ₃ is the exchange current density function.

As shown in FIG. 23, SEI is grown during the charge / discharge cycle, and the active SEI is constant during the charging period, as shown in FIG. 24, but the inactive SEI increases linearly and saturates. Also, during the discharge period, the active SEI increases stepwise, and the inactive SEI decreases to a gentle curve. Effective diffusivity by numerical simulation by numerical simulation can be calculated by numerical approximation.

FIG. 25 is a diagram illustrating an example of a lobby page related to a full-cell analysis according to an embodiment of the present invention.

When operating a secondary battery characteristic simulation platform (e.g., a reliability platform), a lobby window can be displayed. The lobby page associated with the full cell analysis may include, for example, a visualization window area 2501, a material selection table area 2502, an electrode work table area 2503, and a full cell work table area 2504. The substance selection table region 2502 may be an area in which a material for the pull-cell analysis can be selected. The electrode work table region 2503 is an area where the electrodes used for the full cell analysis can be selected, and the pull cell work table region 2504 can display a list of various materials that can be used for the full cell analysis.

Figure 26 is a diagram and model of a material model associated with full-cell analysis in accordance with an embodiment of the present invention. FIG. 27 is a diagram illustrating a status bar relating to an operation page switching related to the full-cell analysis according to an embodiment of the present invention, and FIG. 28 is a view illustrating an example of a full cell analysis window according to an embodiment of the present invention. FIG. 29 is a view showing a material property input screen in the full cell analysis window according to the embodiment of the present invention, FIG. 30 is a diagram relating to an open circuit voltage setting according to an embodiment of the present invention, FIG. FIG. 5 is a graph showing a volume amount and a voltage according to FIG. FIG. 32 is a view showing a pull-cell simulation setting screen according to an embodiment of the present invention, and FIG. 33 is a diagram illustrating icons of result of a full-cell analysis model according to an embodiment of the present invention. FIG. 34 is a diagram showing a result of a full cell analysis model according to an embodiment of the present invention. FIG.

As shown in FIG. 26, at least one, for example, two materials for simulating the pull-cell model in the material selection table area 2502 can be selected. After selecting a material, if a work object capable of switching to a job page is selected as shown in Fig. 27, a full cell analysis window can be displayed as shown in Fig.

The pull cell analysis window may include a material property area 2801, an open circuit voltage area 2802, a simulation area 2803, and an analysis area 2804, as shown in FIG.

Various parameter writing can be performed through the material property area 2801, as shown in FIG. 29 in the pull-cell analysis window. For example, the substance property area 2801 may include an area for writing the anode property, a region for writing the cathode property, and an area for writing the electrolyte property. The material property area 2801 described above may be automatically written by material selection in the lobby page.

A Setting Equilibrium open potential can be set through the open circuit voltage region 2802. [ In this regard, in the open circuit voltage region 2802, a balanced open voltage icon 2820 may be selected. When the OCV data related to the equilibrium open potential is written as shown in Fig. 30, the volume amount and voltage relationship graph can be output as a 2D plot as shown in Fig.

Regarding the setting operating condition, as shown in Fig. 32, a simulation area 2803 can be provided. The simulation region 2803 may provide an entry in which boundary conditions can be entered, such as discharge current, cut-off voltage, time, number of cycles, and job name.

With respect to the result analysis, when a specific job is selected in the lobby page after the end of the simulation, as shown in Fig. 33, in the full cell analysis window, a result icon for generating a 2D image for 2D plotting and analysis Can be provided. For example, a capacity voltage comparison icon 3301 for generating 2D for circulation behavior, a circulation capacity icon 3302 for generating a 2D plot for capacity variation, a density icon (for generating a 2D plot for Li concentration at each electrode 3303) and an SEI icon 3304 for generating an SEI 2D image may be provided.

34, at least one of the capacity-versus-voltage analysis graph 3401, the cyclic capacity graph 3402, the concentration graph 3403, and the SEI graph 3404 is displayed .

35 is a view for explaining a method of simulating the characteristics of a secondary battery according to an embodiment of the present invention.

Referring to FIG. 35, in step 3501, an electronic device (e.g., a user device or a server) may output a lobby page related to the secondary battery characteristic simulation, according to an embodiment of the present invention. The lobby page may include at least one of a stress analysis item, a crack propagation analysis item, and a full-scale analysis item. Alternatively, the lobby page may include tables for selecting materials to be analyzed by at least one of the stress analysis item, the crack propagation analysis item, and the pull-cell analysis item. The materials provided in the lobby page may be materials modeled in a virtual anode simulation platform and a virtual cathode simulation platform. Alternatively, material selection and item selection may be performed together in the lobby page.

In step 3503, the electronic device can verify that user input related to item selection is received. The electronic device can maintain the previous process 3501 state if there is no user input associated with item selection. In state 3501, the electronic device can handle lobby page operations according to user input.

When a user input relating to item selection occurs, in step 3505, the electronic device can output a user interface (e.g., an operation page) including an input area and a result area corresponding to the selected item. For example, the electronic device may include an input area for inputting a kind of a material, a property of a material, an operation condition of a material, and the like in relation to a stress analysis, a crack propagation analysis, or a full- . The electronic device preferentially provides the input area, and after inputting information in the input area, when execution is requested, it can output the corresponding result area. At this time, the electronic device can output the input area and the result area in one window or generate a separate window to be distinguished from the input area and output the result area. When outputting the result area to a separate window, the result window including the result area can be output in an overlapping manner on the input window including the input area.

In 3507, the electronic device can check if user input related to page switching (e.g., switching to lobby page) occurs. If there is no input associated with the page transition, then in 3507, the electronic device may verify that the termination input associated with the secondary electron characteristic simulation function occurs. If no termination input occurs, the electronic device may branch back to 3505 and re-execute the following procedure. In step 3507, when the user input related to page switching is received, the electronic device branches to 3501 and can perform the following process again.

In the above description, items related to stress analysis, crack propagation analysis, pull cell analysis, and the like are provided in the lobby page, but the present invention is not limited thereto. For example, the lobby page provides at least one table from which at least one material can be selected, and when selecting a particular material in the table, items relating to stress analysis, crack propagation analysis, and full cell analysis for the selected material are provided on the job page . Alternatively, the secondary battery characteristics simulation platform may provide a lobby page and a task page in relation to a lobby page related to a stress analysis, a lobby page and a work page related to crack propagation analysis, and a lobby page and a work page relating to a full cell analysis.

It should be noted that the embodiments of the present invention disclosed in the present specification and drawings are only illustrative of specific examples for the purpose of understanding and are not intended to limit the scope of the present invention. It will be apparent to those skilled in the art that other modifications based on the technical idea of the present invention are possible in addition to the embodiments disclosed herein.

User device: 100
Main server: 110
User interface: 120
Simulation server: 130
Database: 140

Claims (12)

A memory for storing at least one data related to performing secondary cell characterization on a computing device basis;
A lobby page electrically connected to the memory and configured to select at least one substance related to the analysis of the characteristics of the secondary battery according to user input or to select at least one of the types of the characteristics, And a result area including a characteristic analysis result for the material, wherein the processor is configured to output one of an operation page including at least one of an input area,
The processor
An analysis area including the stress analysis item, the full cell analysis item, and the icon corresponding to the crack analysis item among the characteristics of the secondary battery is outputted, and the analysis result of the model corresponding to the icon selected according to the user input is outputted to the operation page Set electronic device. The method according to claim 1,
The processor
The robust page configured to select at least one of the items, the stress analysis item, the crack propagation analysis item, the selection of at least one substance to be analyzed by the pull-cell analysis item, or the item. The method according to claim 1,
The processor
A user interface including at least one of a sample region supporting a design of a geometric structure of a model related to stress analysis among the secondary battery characteristics, a mesh region setting a boundary condition of the model, and a simulation region setting an operation or an execution condition of analysis And outputting the output signal. The method of claim 3,
The processor
And to output the mesh region supporting a setting of at least one of a fixed boundary condition or a lithium flux boundary condition. The method according to claim 1,
The processor
An electronic device configured to process analysis of a crack propagation model used for crack propagation simulation in a silicon thin film. delete The method according to claim 1,
The processor
A system buffer area for supporting input of a material selection to be applied to the crack propagation analysis, at least one function icon related to analysis, and a model analysis result according to function icon selection A structural region for visually indicating a degree of cracking, and a stress region indicating a degree of stress generation corresponding to a degree of lithium oxidation and a concentration of Li (lithium). The method according to claim 1,
The processor
In relation to the analysis of the pull cell among the characteristics of the secondary battery, a material selection table area for selecting a material for the pull cell analysis, an electrode work table area for selecting an electrode used for pull cell analysis, various materials And a full-cell work table area in which a list for the full-cell work table area is displayed. 9. The method of claim 8,
The processor
A substance property area including a region for writing an anode property, a region for writing a cathode property, and an area for writing an electrolyte property, in response to the request of the pull-cell analysis;
An open circuit voltage region for outputting a volumetric relationship and a voltage relationship graph corresponding to the input open circuit voltage data; And
A simulation region that supports writing of at least one of a discharge current, a cut-off voltage, a time, a number of cycles, and a job name;
To the task page. The method according to claim 1,
The processor
A capacitive voltage comparison icon to generate 2D for cyclic behavior, a cyclic capacity icon to generate a 2D plot for capacity variation, a concentration icon to generate a 2D plot for Li concentration at each electrode, a 2D image of the solid electrolyte interface And an analysis area including at least one of a Solid Electrolyte Interface (SEI) icon to be displayed on the operation page. 11. The method of claim 10,
The processor
And outputting at least one of a capacity-versus-voltage analysis graph, a cyclic capacity graph, a concentration graph, and an SEI graph to the operation page corresponding to a user input. Outputting a lobby page configured to select at least one substance related to the analysis of characteristics of the secondary battery according to user input or to select at least one of stress analysis, crack propagation analysis, or full cell analysis of the secondary battery;
Receiving user input;
An input area for supporting the input of the material-related information corresponding to the user input, and a result area containing at least one analysis result of a crack analysis result or a full-scale analysis result as a result of stress analysis on the material And outputting an operation page,
In the operation of outputting the operation page,
An analysis area including an icon corresponding to a stress analysis item, a full cell analysis item, and a crack analysis item among the characteristics of the secondary battery is output to the operation page, and the analysis result of the model corresponding to the icon selected according to the user input, A method for simulating characteristics of a secondary battery to be output to a page.

Images