Solid-state battery conductive agent modeling method, device, equipment, medium and product

Abstract

The invention relates to a modeling method, device and equipment of a solid-state battery conductive agent, a medium and a product. The method comprises the steps that a first circuit node corresponding to the center of each positive active particle and a second circuit node corresponding to the center of each negative active particle are constructed, the positive active particles do not make contact with a positive current collector, and the negative active particles do not make contact with a negative current collector; constructing a first resistor between the first circuit node and the positive current collector, and constructing a second resistor between the second circuit node and the negative current collector; a circuit model of the solid state battery conductive agent is determined based on the first circuit node, the second circuit node, the first resistance, and the second resistance. By adopting the method, computing resources required by modeling can be reduced.

Description

Technical Field

[0001] This application relates to the field of solid-state battery modeling technology, and in particular to a modeling method, apparatus, computer device, computer-readable storage medium, and computer program product for a solid-state battery conductive agent. Background Technology

[0002] Solid-state batteries have advantages over traditional liquid lithium-ion batteries, such as high safety, high energy density, and wide operating temperature range. However, the development of solid-state batteries requires a lot of experimental verification. Simulation technology can quickly simulate the performance and behavior of batteries in a virtual environment, reducing the number of experiments, lowering development costs, and shortening the development cycle.

[0003] Conductive agents, as a key component in solid-state batteries, together with active material particles, form an electronic conductivity network. Typical conductive agents, such as carbon black and carbon nanotubes, have a size of 10~100 nm, while active particles and solid electrolytes have a size of 1µm~10µm, and the electrode sheets, which include the positive electrode, negative electrode, and separator, have a size of around 100µm.

[0004] In related technologies, when modeling solid-state batteries, it is necessary to construct a large number of small-sized conductive agent models on the particle surface, resulting in a large amount of computational resources required for modeling. Summary of the Invention

[0005] Therefore, it is necessary to provide a modeling method, apparatus, device, medium, and product for solid-state battery conductive agents that can reduce the computational resources required for modeling, in order to address the above-mentioned technical problems.

[0006] In a first aspect, this application provides a modeling method for conductive agents in solid-state batteries, including:

[0007] Construct a first circuit node corresponding to the center of each positive electrode active particle, and a second circuit node corresponding to the center of each negative electrode active particle, wherein the positive electrode active particle is not in contact with the positive electrode current collector, and the negative electrode active particle is not in contact with the negative electrode current collector;

[0008] A first resistor is constructed between the first circuit node and the positive current collector, and a second resistor is constructed between the second circuit node and the negative current collector;

[0009] Based on the first circuit node, the second circuit node, the first resistor, and the second resistor, a circuit model for the conductive agent in a solid-state battery is determined.

[0010] In one embodiment, constructing a first circuit node corresponding to the center of each positive electrode active particle and a second circuit node corresponding to the center of each negative electrode active particle includes: constructing a first virtual contact pair between the positive electrode active particle and the positive electrode current collector, and a second virtual contact pair between the negative electrode active particle and the negative electrode current collector; determining the center of the positive electrode active particle as the first contact position of the first virtual contact pair, and determining the center of the negative electrode active particle as the second contact position of the second virtual contact pair; constructing the first circuit node according to the first contact position, and constructing the second circuit node according to the second contact position.

[0011] In one embodiment, constructing a first resistor between the first circuit node and the positive current collector includes: determining a first distance between the center of the positive active particle and the positive current collector; determining the resistance value of the first resistor based on a preset resistivity, the first distance, and the radius of the positive active particle; and constructing a first resistor between the first circuit node and the positive current collector according to the resistance value of the first resistor.

[0012] In one embodiment, constructing a second resistor between the second circuit node and the negative current collector includes: determining a second distance between the center of the negative active particle and the negative current collector; determining the resistance value of the second resistor based on a preset resistivity, the second distance, and the radius of the negative active particle; and constructing a second resistor between the second circuit node and the negative current collector according to the resistance value of the second resistor.

[0013] In one embodiment, determining the circuit model of the solid-state battery conductive agent based on the first circuit node, the second circuit node, the first resistor, and the second resistor includes: constructing a set of circuit nodes for each particle in the solid-state battery according to the contact relationship between each particle in the solid-state battery; adding the first circuit node and the second circuit node to the set of circuit nodes to obtain a new set of circuit nodes; constructing a third resistor between any two circuit nodes in the new set of circuit nodes corresponding to each particle; and determining the circuit model of the solid-state battery conductive agent according to the first resistor, the second resistor, and the third resistor.

[0014] In one embodiment, the step of constructing a set of circuit nodes for each particle in the solid-state battery based on the contact relationship between the particles in the solid-state battery includes: determining the correspondence between two particles in contact with each other in the solid-state battery to obtain multiple contact pairs; constructing two third circuit nodes for each contact pair, and adding the two third circuit nodes to the set of circuit nodes of the corresponding particles respectively.

[0015] Secondly, this application also provides a modeling apparatus for a solid-state battery conductive agent, comprising:

[0016] The first construction module is used to construct a first circuit node corresponding to the center of each positive electrode active particle, and a second circuit node corresponding to the center of each negative electrode active particle, wherein the positive electrode active particle is not in contact with the positive electrode current collector, and the negative electrode active particle is not in contact with the negative electrode current collector.

[0017] The second construction module is used to construct a first resistor between the first circuit node and the positive current collector, and to construct a second resistor between the second circuit node and the negative current collector;

[0018] The determination module is used to determine the circuit model of the solid-state battery conductive agent based on the first circuit node, the second circuit node, the first resistor, and the second resistor.

[0019] Thirdly, this application also provides a computer device, including a memory and a processor, wherein the memory stores a computer program, and the processor executes the computer program to implement the method of the first aspect.

[0020] Fourthly, this application also provides a computer-readable storage medium having a computer program stored thereon, which, when executed by a processor, implements the method of the first aspect.

[0021] Fifthly, this application also provides a computer program product, including a computer program that, when executed by a processor, implements the method of the first aspect.

[0022] The aforementioned modeling method, apparatus, equipment, medium, and product for solid-state battery conductive agents construct a first circuit node corresponding to the center of each positive electrode active particle and a second circuit node corresponding to the center of each negative electrode active particle. A first resistor is constructed between the first circuit node and the positive electrode current collector, and a second resistor is constructed between the second circuit node and the negative electrode current collector. Finally, a circuit model of the solid-state battery conductive agent is determined based on all circuit nodes and all resistors. In this embodiment, resistors are constructed between isolated particles and their corresponding current collectors to represent the full effect of the conductive agent through resistance. The electronic conduction effect of the conductive agent is homogenized. The computational workload mainly lies in the number of active particles not in contact with the current collector, which is far less than the number of conductive agent particles. Therefore, the computational workload is greatly reduced, thereby reducing the computational resources required for modeling and lowering the computational cost, which is beneficial for practical applications. Attached Figure Description

[0023] To more clearly illustrate the technical solutions in the embodiments of this application or related technologies, the drawings used in the description of the embodiments of this application or related technologies will be briefly introduced below. Obviously, the drawings described below are only some embodiments of this application. For those skilled in the art, other related drawings can be obtained based on these drawings without creative effort.

[0024] Figure 1 This is an application environment diagram of a modeling method for the conductive agent in a solid-state battery in one embodiment;

[0025] Figure 2 This is a flowchart illustrating a modeling method for a solid-state battery conductive agent in one embodiment.

[0026] Figure 3 for Figure 2 A flowchart illustrating step 201;

[0027] Figure 4 for Figure 2 A partial flowchart of step 202;

[0028] Figure 5 for Figure 2 Another part of the process diagram for step 202;

[0029] Figure 6 for Figure 2 A flowchart illustrating step 203;

[0030] Figure 7 This is a flowchart illustrating a modeling method for solid-state batteries in one embodiment.

[0031] Figure 8 A schematic diagram of a solid-state battery composed of 7 particles;

[0032] Figure 9 When the conductive agent is not considered Figure 8 Equivalent circuit model of solid-state batteries;

[0033] Figure 10 When considering conductive agents Figure 8 Equivalent circuit model of solid-state batteries;

[0034] Figure 11 for Figure 8 A schematic diagram of the charge and discharge simulation results of a solid-state battery;

[0035] Figure 12 This is a structural block diagram of a modeling device for a solid-state battery conductive agent in one embodiment;

[0036] Figure 13 This is an internal structural diagram of a computer device in one embodiment. Detailed Implementation

[0037] To make the objectives, technical solutions, and advantages of this application clearer, the following detailed description is provided in conjunction with the accompanying drawings and embodiments. It should be understood that the specific embodiments described herein are merely illustrative and not intended to limit the scope of this application.

[0038] It should be noted that the terms "first," "second," etc., used in this application can be used to describe various elements, but these elements are not limited by these terms. These terms are only used to distinguish the first element from the second element. The terms "comprising" and "having," and any variations thereof, used in this application, are intended to cover non-exclusive inclusion. The term "multiple" used in this application refers to two or more. The term "and / or" used in this application refers to one of the embodiments, or any combination of multiple embodiments.

[0039] In related technologies, when modeling conductive agents, it is necessary to explicitly model the conductive agent particles. That is, small particles are generated on the surface of each particle in the solid-state battery to conduct the conductive agent. The geometry of each conductive agent particle needs to be created one by one. Therefore, in the simulation of actual electrode scale, a large number of small conductive agent particles need to be constructed. The number of conductive agent particles is large and irregular. Therefore, modeling the conductive agent as discrete particles results in a large amount of computational resources required and a high computational cost, making it difficult to use in practice.

[0040] Therefore, this application proposes a modeling method for conductive agents in solid-state batteries, which can reduce the computational resources required for conductive agent modeling.

[0041] The modeling method for solid-state battery conductive agents provided in this application embodiment can be applied to, for example... Figure 1 In the application environment shown, terminal 102 communicates with server 104 via a network. A data storage system can store the data that server 104 needs to process. The data storage system can be integrated onto server 104 or located in the cloud or on other network servers. Terminal 102 can be, but is not limited to, various personal computers, laptops, smartphones, tablets, drones, low-altitude aircraft, IoT devices, and portable wearable devices. IoT devices can include smart speakers, smart TVs, smart air conditioners, smart in-vehicle devices, projection devices, etc. Portable wearable devices can include smartwatches, smart bracelets, head-mounted devices, etc. Head-mounted devices can be virtual reality (VR) devices, augmented reality (AR) devices, smart glasses, etc. Server 104 can be a standalone physical server, a server cluster or distributed system composed of multiple physical servers, or a cloud server providing cloud computing services.

[0042] In one exemplary embodiment, such as Figure 2 As shown, a modeling method for conductive agents in solid-state batteries is provided, which can be applied to... Figure 1 Taking server 104 as an example, the explanation includes the following steps 201 to 203. Wherein:

[0043] Step 201: Construct a first circuit node corresponding to the center of each positive electrode active particle, and a second circuit node corresponding to the center of each negative electrode active particle. The positive electrode active particles and the positive electrode current collector are not in contact, and the negative electrode active particles and the negative electrode current collector are not in contact.

[0044] In this circuit, the first circuit node refers to the circuit node corresponding to the center of the positive electrode active particle that is not in contact with the positive electrode current collector of the solid-state battery. The second circuit node refers to the circuit node corresponding to the center of the negative electrode active particle that is not in contact with the negative electrode current collector of the solid-state battery. There are multiple first and second circuit nodes.

[0045] For example, the positions of all positive electrode active particles and all negative electrode active particles, as well as the positions of the positive and negative current collectors, can be obtained, where the position refers to its location within the solid-state battery and can be represented by coordinates. Then, based on the positions of the positive electrode active particles and the positive current collectors, multiple positive electrode active particles A that are not in contact with the boundary of the positive current collector are determined, and a first circuit node corresponding to the center of positive electrode active particle A is constructed. Simultaneously, based on the positions of the negative electrode active particles and the negative current collector, multiple negative electrode active particles B that are not in contact with the boundary of the negative current collector are determined, and a second circuit node corresponding to the center of negative electrode active particle B is constructed.

[0046] Step 202: Construct a first resistor between the first circuit node and the positive current collector, and construct a second resistor between the second circuit node and the negative current collector.

[0047] In this embodiment, assuming that the conductive agent is uniformly dispersed, the electronic conduction effect of the conductive agent is homogenized.

[0048] For example, after defining the center of each positive electrode active particle A as a first circuit node, the effective resistivity of the conductive agent network is determined based on the function or performance of the conductive agent, and the distance between the center of particle A and the positive electrode current collector is determined. Then, a first resistor is constructed between each first circuit node and the positive electrode current collector based on the effective resistivity and the distance. Similarly, after defining the center of each negative electrode active particle B as a second circuit node, the effective resistivity of the conductive agent network is determined based on the function or performance of the conductive agent, and the distance between the center of particle B and the positive electrode current collector is determined. Then, a second resistor is constructed between each second circuit node and the positive electrode current collector based on the effective resistivity and the distance. Thus, multiple first and second resistors are obtained, which, as equivalent resistors, establish a virtual circuit channel between each particle A and the positive electrode current collector, and a virtual circuit channel between each particle B and the negative electrode current collector.

[0049] This embodiment assumes that there is a conductive agent between each isolated particle (particle A and particle B) and the corresponding current collector, and the first resistance and the second resistance are the equivalent resistance of the conductive agent.

[0050] Step 203: Based on the first circuit node, the second circuit node, the first resistor, and the second resistor, determine the circuit model of the solid-state battery conductive agent.

[0051] For example, after obtaining multiple first circuit nodes and second circuit nodes, a third resistor is constructed again based on all circuit nodes, and the equivalent circuit model of the solid-state battery conductive agent is determined based on the third resistor, the first resistor, and the second resistor.

[0052] In the aforementioned modeling method for solid-state battery conductive agents, a first circuit node corresponding to the center of each positive electrode active particle and a second circuit node corresponding to the center of each negative electrode active particle are constructed. A first resistor is constructed between the first circuit node and the positive electrode current collector, and a second resistor is constructed between the second circuit node and the negative electrode current collector. Finally, the circuit model of the solid-state battery conductive agent is determined based on all circuit nodes and all resistors. In this embodiment, resistors are constructed between isolated particles and their corresponding current collectors to represent the full effect of the conductive agent through resistance, homogenizing the electronic conduction effect of the conductive agent. The computational load mainly lies in the number of active particles not in contact with the current collector, which is far less than the number of conductive agent particles. Therefore, the computational load is greatly reduced, thereby reducing the computational resources required for modeling and lowering the computational cost, which is beneficial for practical applications.

[0053] In one exemplary embodiment, such as Figure 3 As shown, step 201 includes steps 301 to 303. Wherein:

[0054] Step 301: Construct a first virtual contact pair between the positive electrode active particles and the positive electrode current collector, and a second virtual contact pair between the negative electrode active particles and the negative electrode current collector.

[0055] In this context, a virtual contact pair refers to the contact relationship between an isolated particle and its corresponding current collector. Since they are not actually in contact, this embodiment assumes they are, and therefore the correspondence between them is set as a virtual contact pair. The first and second virtual contact pairs represent the contact pairs corresponding to the positive and negative electrodes, respectively.

[0056] Step 302: The center of the positive electrode active particle is determined as the first contact position of the first virtual contact pair, and the center of the negative electrode active particle is determined as the second contact position of the second virtual contact pair.

[0057] The first and second contact positions refer to the contact positions of the objects corresponding to the virtual contact pairs.

[0058] Step 303: Construct a first circuit node based on the first contact position, and construct a second circuit node based on the second contact position.

[0059] For example, a virtual, mathematically equivalent connection is created between an isolated positive electrode active particle A and a positive electrode current collector, and a virtual, mathematically equivalent connection is created between an isolated negative electrode active particle B and a negative electrode current collector. This virtual connection is defined as a connection between the center point of the isolated particle and the corresponding current collector boundary, i.e., the contact point is set to the center point of the isolated particle (e.g., the center of a sphere). Then, the corresponding isolated particle is defined as a circuit node based on the contact position of each virtual contact pair. Finally, a resistance is constructed between each circuit node and the corresponding current collector to quantify the path of electron transport through the virtual contact.

[0060] For example, suppose that particle A1, which is not in contact with the positive current collector, has a virtual contact with the positive current collector. A first resistor is constructed between particle A1 and the positive current collector. The resistance value of the first resistor is determined based on the distance between the contact position and the boundary of the current collector and the equivalent resistivity of the conductive agent. The equivalent resistivity can be set in advance based on the performance and proportion of the conductive agent.

[0061] Therefore, this example constructs virtual contact pairs, sets contact positions, constructs resistors corresponding to the virtual contact pairs, and realizes virtual contact through resistors, which greatly simplifies the electron transmission path and reduces computational costs.

[0062] Next, step 202 is executed, which involves constructing the first and second resistors. These resistors can be constructed based on a preset resistivity and the distance between the active particles and the corresponding current collector. The preset resistivity characterizes the equivalent resistivity of the conductive agent between the positive or negative electrode active particles and the corresponding current collector. The preset resistivity includes contact resistivity and bulk resistivity. Contact resistivity and bulk resistivity can be user-input parameters, representing the homogenized properties of the conductive agent and reflecting the performance and proportion of the conductive agent in the electrode formulation. For example, using additives with higher conductivity or adding a larger proportion of the conductive agent results in lower contact and bulk resistivity. The following details the method for constructing the resistors.

[0063] In one exemplary embodiment, such as Figure 4 As shown, step 202 includes steps 401 to 403:

[0064] Step 401: Determine the first distance between the center of the positive electrode active particle and the positive electrode current collector.

[0065] Step 402: Determine the resistance value of the first resistor based on the preset resistivity, the first distance, and the radius of the positive electrode active particle.

[0066] Step 403: Construct a first resistor between the first circuit node and the positive current collector based on the resistance value of the first resistor.

[0067] For example, the electronic resistance from the center of the positive electrode active particle A to the positive electrode current collector is calculated according to a preset calculation rule based on the preset resistivity, the first distance, and the radius of the positive electrode active particle A. This resistance is the value of the first resistance, and the calculation formula is as follows:

[0068] .

[0069] in, This is the resistance value of the first resistance from the positive electrode active particle that is not in contact with the positive electrode current collector to the positive electrode current collector. The contact resistivity between the positive electrode active particle (not in contact with the positive electrode current collector) and the positive electrode current collector, expressed in Ω·m. 2 r1 is the radius of the positive electrode active particle that is not in contact with the positive electrode current collector, in meters (m); L1 is the initial distance between the positive electrode active particle that is not in contact with the positive electrode current collector and the positive electrode current collector, in meters (m). volume resistivity With contact resistivity The ratio between them, in units of , The volume resistivity is the difference between the positive electrode active particles that are not in contact with the positive electrode current collector and the positive electrode current collector.

[0070] In one exemplary embodiment, such as Figure 5 As shown, step 202 further includes steps 501 to 503. Wherein:

[0071] Step 501: Determine the second distance between the center of the negative electrode active particle and the negative electrode current collector.

[0072] Step 502: Determine the resistance value of the second resistor based on the preset resistivity, the second distance, and the radius of the negative electrode active particles.

[0073] Step 503: Construct a second resistor between the second circuit node and the negative current collector according to the resistance value of the second resistor.

[0074] For example, the electronic resistance from the center of the negative electrode active particle B to the negative electrode current collector is calculated according to a preset calculation rule based on the preset resistivity, the second distance, and the radius of the negative electrode active particle B. This resistance is the value of the second resistance, and the calculation formula is as follows:

[0075] .

[0076] in, The resistance value is the second resistance from the negative electrode active particle that is not in contact with the negative electrode current collector to the negative electrode current collector. The contact resistivity between the negative electrode active particles (not in contact with the negative electrode current collector) and the negative electrode current collector, expressed in Ω·m. 2 r2 is the radius of the negative electrode active particle that is not in contact with the negative electrode current collector, in meters (m); L2 is the first distance between the negative electrode active particle that is not in contact with the negative electrode current collector and the negative electrode current collector, in meters (m). volume resistivity With contact resistivity The ratio between them, in units of , The volume resistivity is the difference between the negative electrode active particles that are not in contact with the negative electrode current collector and the negative electrode current collector.

[0077] Therefore, this example constructs the resistance between an isolated particle and its corresponding current collector based on distance, radius, and preset resistivity, thereby quantifying the electronic resistance between the particle and the current collector.

[0078] The first and second resistors were constructed through the above steps, which completed the creation of the core components in the conductive agent modeling process. Then, step 203 was executed, which determined the circuit model of the solid battery conductive agent based on the first circuit node, the second circuit node, the first resistor and the second resistor.

[0079] In one exemplary embodiment, such as Figure 6 As shown, step 203 includes steps 601 to 604:

[0080] Step 601: Construct a set of circuit nodes for each particle in the solid-state battery based on the contact relationships between the particles.

[0081] Further, this step may include: determining the correspondence between two contacting particles in a solid-state battery to obtain multiple contact pairs; constructing two third circuit nodes for each contact pair, and adding the two third circuit nodes to the circuit node set of the corresponding particles.

[0082] In this solid-state battery, each particle includes active particles (including the aforementioned positive and negative electrode active particles) and solid electrolyte particles. A third circuit node refers to the circuit node between the active particles and the solid electrolyte particles, with each particle corresponding to at least one third circuit node. In one possible implementation, a fourth resistor can be constructed between the third circuit nodes corresponding to two contacting particles.

[0083] For example, the positions and isolation radii of the active particles and solid electrolyte particles in the solid-state battery are first obtained. Based on the positions and radii, it is determined whether there is a contact relationship between the particles. Two particles in contact are identified as a contact pair, meaning a contact pair defines the contact between two particles. Contact pairs are divided into four categories, each containing multiple contact pairs:

[0084] The contact between active substance particles AM and active substance particles AM is AM-AM;

[0085] The contact between active material particles AM and solid electrolyte particles SE is AM-SE;

[0086] The contact pair AM-CC between active particles AM and current collector CC;

[0087] Solid electrolyte particles SE and the contact pair SE-SE.

[0088] Then, for each contact pair, construct two corresponding third circuit nodes. Define the circuit node set for each particle. Add all third circuit nodes to the circuit node set of the corresponding particle to obtain the circuit node set for each particle, which includes the third circuit nodes. For example, create two third circuit nodes (ij_x, ij_y) for each contact pair (i,j), where (i,j) represents the contact pair corresponding to particles x and y, x represents particle x, and y represents particle y in contact with particle x. Add node ij_x to the circuit node set corresponding to particle x, and add node ij_y to the circuit node set corresponding to particle y to obtain the circuit node sets for particles x and y respectively.

[0089] After constructing the circuit node set, a fourth resistor with a preset resistance value can be constructed between the third circuit nodes corresponding to two contacting particles:

[0090] If the contact pair belongs to any of AM-AM, AM-CC, or SE-SE, create a contact resistance Rc=ρ between the circuit nodes (ij_x, ij_y). 面 / A, where ρ 面 Let be the surface resistivity between particle x and particle y, and A be the contact area between particle x and particle y.

[0091] If the contact pair belongs to AM-SE, a reactive resistance Rbv is created between the circuit nodes (ij_x, ij_y), and the current-voltage characteristic of Rbv is defined by the Butler-Volmer equation including the membrane resistance.

[0092] Step 602: Add the first circuit node and the second circuit node to the circuit node set to obtain a new circuit node set.

[0093] Specifically, after obtaining the circuit node set (including the third circuit node) corresponding to each particle of the solid-state battery, the first and second circuit nodes constructed in step 201 are added to the circuit node set of the corresponding particle to obtain a new circuit node set. That is, the new circuit node set of each particle includes the third circuit node and either the first or second circuit node. For example, the new circuit node set of the positive electrode active particle A1 includes the third circuit node and the first circuit node, and the new circuit node set of the negative electrode active particle B1 includes the third circuit node and the second circuit node.

[0094] Step 603: For each particle, construct a third resistor between any two circuit nodes in the new set of circuit nodes.

[0095] For example, a third resistor is constructed between any two third circuit nodes, between the first circuit nodes, and between the first and third circuit nodes corresponding to each positive electrode active particle. The third resistor can be a bulk resistance. The resistance value of the third resistor can be determined based on the bulk conductivity, distance, and particle radius between the corresponding two particles.

[0096] Step 604: Determine the circuit model of the solid-state battery conductive agent based on the first resistor, the second resistor, and the third resistor.

[0097] For example, a circuit model of the conductive agent is obtained based on the first resistor, the second resistor, and the third resistor between any two nodes constructed according to the virtual contact pairs.

[0098] Alternatively, the equivalent circuit model of the solid-state battery can be determined based on the first to fourth resistors.

[0099] The following uses solid-state battery modeling, incorporating the modeling method of this embodiment, as an example to illustrate the method for constructing a solid-state battery circuit model:

[0100] like Figure 7 As shown, the solid-state battery modeling method based on conductive agent modeling includes the following steps:

[0101] Step 701: Obtain the position and radius of the active particles and solid electrolyte particles in the solid-state battery;

[0102] Step 702: Determine the contact pair between two contacting particles based on their position and radius;

[0103] Step 703: Define the set of circuit nodes corresponding to each particle, construct two third circuit nodes for each contact pair, and add the two third circuit nodes to the set of circuit nodes of the corresponding particle.

[0104] Step 704: Construct a fourth resistor between the third circuit nodes corresponding to the two contacting particles;

[0105] Step 705: Construct a first virtual contact pair between each positive active particle A that is not in contact with the positive current collector and the positive current collector, and a second virtual contact pair between each negative active particle B that is not in contact with the negative current collector and the negative current collector.

[0106] Step 706: Use the center of particle A and particle B as the contact position of the virtual contact pair;

[0107] Step 707: Construct a first circuit node corresponding to the center of particle A and a second circuit node corresponding to the center of particle B based on the contact position;

[0108] Step 708: Based on the preset resistivity, the radius of the active particles, and the distance between the active particles and the corresponding current collector, construct the first resistance between the first circuit node and the positive current collector, and the second resistance between the second circuit node and the negative current collector.

[0109] Step 709: Add the first circuit node and the second circuit node to the circuit node set to obtain a new circuit node set;

[0110] Step 710: For each particle, construct a third resistor between any two circuit nodes in the new set of circuit nodes.

[0111] Step 711: Determine the circuit model of the solid-state battery conductive agent based on the first resistor, the second resistor, the third resistor, and the fourth resistor.

[0112] After completing the solid-state battery modeling using the steps above, the following boundary conditions can be set before simulation: ground the negative current collector and create a constant current, constant voltage, or constant power load for the positive current collector. Then, simulate the solid-state battery with unconstrained boundary conditions based on the created circuit.

[0113] Figures 8 to 11 The algorithm results of this embodiment are shown. Figure 8 The diagram shows a solid-state battery composed of seven particles, omitting the conductive agent. Figure 8 In the diagram, h, i, and e are solid electrolyte particles, c and d are positive electrode active particles, g and f are negative electrode active particles, a and b are positive and negative electrode current collectors, respectively, and Iapp is the load.

[0114] Figure 9 This is the equivalent circuit model of a solid-state battery without considering the conductive agent. Figure 10 To consider the equivalent circuit model of a solid-state battery when the conductive agent is taken into account, from Figure 9 It can be seen that in the equivalent circuit of the model without conductive agent, the positive electrode active particle d corresponds to three resistors: bulk resistance Rdd10, electrochemical reaction resistance Bde5 and Bdi7, and the negative electrode active particle g corresponds to three resistors: bulk resistance Rgg13, electrochemical reaction resistance Bgh4 and Bgi8. Figure 10 Other resistors in the model: Rff12, Bfh3, and Rbf2f are the three resistors corresponding to the negative electrode active particle f; Rac1, Rcc9, and Rce6 are the three resistors corresponding to the positive electrode active particle c; Rhh4 and Bgh4, Rii5, Ree11, and Bce6 are the resistors corresponding to particles h, i, and e. Figure 10 It can be seen that, after considering the conductive agent effect, the positive electrode active particle d adds a new resistance Rad9 to the positive electrode current collector, while the bulk resistance increases to three: Rdd12, Rdd13, and Rdd14. The electrochemical reaction resistance remains unchanged at Bde5 and Bdi7. The negative electrode active particle g adds a new resistance Rbg10 to the negative electrode current collector, while the bulk resistance increases to three: Rdd17, Rdd18, and Rdd19. The electrochemical reaction resistance remains unchanged at Bgh4 and Bgi8.

[0115] Figure 11 To Figure 8 The batteries are respectively Figure 9 and Figure 10 The simulation results of charge-discharge at different rates show that the curve representing voltage increase is the charging curve, and the curve representing voltage decrease is the discharging curve. It can be seen that without considering the conductive agent, the positive electrode active particles d and g lack electron channels to the current collector and therefore cannot contribute to the effective capacity; their charge-discharge capacity is less than that of the model considering the conductive agent. The charge-discharge results of the model considering the conductive agent are more consistent with reality.

[0116] In summary, the embodiments of this application assume uniform dispersion of the conductive agent and homogenize its electronic conduction effect. While reflecting the role of the conductive agent, this significantly reduces computational costs, making it possible to simulate solid-state batteries with actual electrode sizes.

[0117] It should be understood that although the steps in the flowcharts of the embodiments described above are shown sequentially according to the arrows, these steps are not necessarily executed in the order indicated by the arrows. Unless explicitly stated herein, there is no strict order restriction on the execution of these steps, and they can be executed in other orders. Moreover, at least some steps in the flowcharts of the embodiments described above may include multiple steps or multiple stages. These steps or stages are not necessarily completed at the same time, but can be executed at different times. The execution order of these steps or stages is not necessarily sequential, but can be performed alternately or in turn with other steps or at least some of the steps or stages in other steps. It is understood that the steps in different embodiments can be freely combined as needed, and all non-contradictory solutions formed by such combinations are within the scope of protection of this application.

[0118] Based on the same inventive concept, this application also provides a modeling apparatus for solid-state battery conductive agents to implement the modeling method for solid-state battery conductive agents described above. The solution provided by this apparatus is similar to the solution described in the above method; therefore, the specific limitations in one or more embodiments of the modeling apparatus for solid-state battery conductive agents provided below can be found in the limitations of the modeling method for solid-state battery conductive agents described above, and will not be repeated here.

[0119] In one exemplary embodiment, such as Figure 12 As shown, a modeling apparatus for a solid-state battery conductive agent is provided, comprising: a first building module 1201, a second building module 1202, and a determining module 1203, wherein:

[0120] The first construction module 1201 is used to construct a first circuit node corresponding to the center of each positive active particle and a second circuit node corresponding to the center of each negative active particle, wherein the positive active particle is not in contact with the positive current collector and the negative active particle is not in contact with the negative current collector.

[0121] The second construction module 1202 is used to construct a first resistor between the first circuit node and the positive current collector, and to construct a second resistor between the second circuit node and the negative current collector;

[0122] The determination module 1203 is used to determine the circuit model of the solid-state battery conductive agent based on the first circuit node, the second circuit node, the first resistor, and the second resistor.

[0123] In one embodiment, the first construction module 1201 includes: a first construction unit, a first determination unit, and a second construction unit, wherein: the first construction unit is configured to construct a first virtual contact pair between a positive electrode active particle and a positive electrode current collector, and a second virtual contact pair between a negative electrode active particle and a negative electrode current collector; the first determination unit is configured to determine the center of the positive electrode active particle as the first contact position of the first virtual contact pair, and to determine the center of the negative electrode active particle as the second contact position of the second virtual contact pair; the second construction unit is configured to construct the first circuit node according to the first contact position, and to construct the second circuit node according to the second contact position.

[0124] In one embodiment, the second construction module 1202 is specifically used to: determine a first distance between the center of the positive electrode active particle and the positive electrode current collector; determine the resistance value of a first resistor based on a preset resistivity, the first distance and the radius of the positive electrode active particle; and construct a first resistor between the first circuit node and the positive electrode current collector according to the resistance value of the first resistor.

[0125] In one embodiment, the second construction module 1202 is further configured to: determine a second distance between the center of the negative electrode active particle and the negative electrode current collector; determine the resistance value of the second resistor based on a preset resistivity, the second distance and the radius of the negative electrode active particle; and construct a second resistor between the second circuit node and the negative electrode current collector according to the resistance value of the second resistor.

[0126] In one embodiment, the determining module 1203 includes: a third construction unit, an adding unit, a fourth construction unit, and a second determining unit. Specifically: the third construction unit is used to construct a set of circuit nodes for each particle in the solid-state battery based on the contact relationships between the particles; the adding unit is used to add the first circuit node and the second circuit node to the set of circuit nodes to obtain a new set of circuit nodes; the fourth construction unit is used to construct a third resistor between any two circuit nodes in the new set of circuit nodes corresponding to each particle.

[0127] The second determining unit is used to determine the circuit model of the solid-state battery conductive agent based on the first resistor, the second resistor, and the third resistor.

[0128] Furthermore, the third building unit is specifically used to: determine the correspondence between two contacting particles in a solid-state battery to obtain multiple contact pairs; construct two third circuit nodes for each contact pair, and add the two third circuit nodes to the circuit node set of the corresponding particles respectively.

[0129] Each module in the aforementioned modeling device for solid-state battery conductive agents can be implemented entirely or partially through software, hardware, or a combination thereof. These modules can be embedded in or independent of the processor in a computer device, or stored in the memory of a computer device as software, so that the processor can call and execute the operations corresponding to each module.

[0130] In one exemplary embodiment, a computer device is provided, which may be a server, and its internal structure diagram may be as follows: Figure 13 As shown, the computer device includes a processor, memory, input / output (I / O) interfaces, and a communication interface. The processor, memory, and I / O interfaces are connected via a system bus, and the communication interface is also connected to the system bus via the I / O interfaces. The processor provides computational and control capabilities. The memory includes non-volatile storage media and internal memory. The non-volatile storage media stores the operating system, computer programs, and a database. The internal memory provides the environment for the operation of the operating system and computer programs stored in the non-volatile storage media. The database stores modeling data for conductive agents. The I / O interfaces are used for exchanging information between the processor and external devices. The communication interface is used for communication with external terminals via a network connection. When the computer program is executed by the processor, it implements a modeling method for conductive agents in solid-state batteries.

[0131] Those skilled in the art will understand that Figure 13 The structure shown is merely a block diagram of a portion of the structure related to the present application and does not constitute a limitation on the computer device to which the present application is applied. Specific computer devices may include more or fewer components than those shown in the figure, or combine certain components, or have different component arrangements.

[0132] In one exemplary embodiment, a computer device is provided, including a memory and a processor, wherein the memory stores a computer program, and the processor executes the computer program to implement the modeling method for solid-state battery conductive agents proposed in the above embodiments.

[0133] In one embodiment, a computer-readable storage medium is provided having a computer program stored thereon, which, when executed by a processor, implements the modeling method for solid-state battery conductive agents proposed in the above embodiments.

[0134] In one embodiment, a computer program product is provided, including a computer program that, when executed by a processor, implements the modeling method for solid-state battery conductive agents proposed in the above embodiments.

[0135] Those skilled in the art will understand that all or part of the processes in the above embodiments can be implemented by a computer program instructing related hardware. The computer program can be stored in a non-volatile computer-readable storage medium, and when executed, it can include the processes of the embodiments described above. Any references to memory, databases, or other media used in the embodiments provided in this application can include at least one of non-volatile memory and volatile memory. The databases involved in the embodiments provided in this application can include at least one of relational databases and non-relational databases. Non-relational databases can include, but are not limited to, blockchain-based distributed databases. The processors involved in the embodiments provided in this application can be general-purpose processors, central processing units, graphics processors, digital signal processors, programmable logic devices, quantum computing-based data processing logic devices, artificial intelligence (AI) processors, etc., and are not limited to these.

[0136] The technical features of the above embodiments can be combined in any way. For the sake of brevity, not all possible combinations of the technical features in the above embodiments are described. However, as long as there is no contradiction in the combination of these technical features, they should be considered to be within the scope of this application.

[0137] The embodiments described above are merely illustrative of several implementation methods of this application, and while the descriptions are specific and detailed, they should not be construed as limiting the scope of this application. It should be noted that those skilled in the art can make various modifications and improvements without departing from the concept of this application, and these all fall within the protection scope of this application. Therefore, the protection scope of this application should be determined by the appended claims.

Claims

1. A modeling method for conductive agents in solid-state batteries, characterized in that, The method includes: Construct a first circuit node corresponding to the center of each positive electrode active particle, and a second circuit node corresponding to the center of each negative electrode active particle, wherein the positive electrode active particle is not in contact with the positive electrode current collector, and the negative electrode active particle is not in contact with the negative electrode current collector; A first resistor is constructed between the first circuit node and the positive current collector, and a second resistor is constructed between the second circuit node and the negative current collector; Based on the first circuit node, the second circuit node, the first resistor, and the second resistor, a circuit model for the conductive agent in a solid-state battery is determined.

2. The method according to claim 1, characterized in that, Constructing a first circuit node corresponding to the center of each positive electrode active particle, and a second circuit node corresponding to the center of each negative electrode active particle, including: Construct a first virtual contact pair between the positive electrode active particles and the positive electrode current collector, and a second virtual contact pair between the negative electrode active particles and the negative electrode current collector; The center of the positive electrode active particle is determined as the first contact position of the first virtual contact pair, and the center of the negative electrode active particle is determined as the second contact position of the second virtual contact pair. The first circuit node is constructed based on the first contact position, and the second circuit node is constructed based on the second contact position.

3. The method according to claim 2, characterized in that, The construction of a first resistor between the first circuit node and the positive current collector includes: Determine the first distance between the center of the positive electrode active particle and the positive electrode current collector; The resistance value of the first resistor is determined based on the preset resistivity, the first distance, and the radius of the positive electrode active particles. A first resistor is constructed between the first circuit node and the positive current collector based on the resistance value of the first resistor.

4. The method according to claim 2, characterized in that, The construction of a second resistor between the second circuit node and the negative current collector includes: Determine the second distance between the center of the negative electrode active particle and the negative electrode current collector; The resistance value of the second resistor is determined based on the preset resistivity, the second distance, and the radius of the negative electrode active particles. A second resistor is constructed between the second circuit node and the negative current collector based on the resistance value of the second resistor.

5. The method according to any one of claims 1 to 4, characterized in that, The step of determining the circuit model of the solid-state battery conductive agent based on the first circuit node, the second circuit node, the first resistor, and the second resistor includes: Construct a set of circuit nodes for each particle in a solid-state battery based on the contact relationships between the particles. Add the first circuit node and the second circuit node to the circuit node set to obtain a new circuit node set; For each particle, construct a third resistor between any two circuit nodes in the new set of circuit nodes. The circuit model of the solid-state battery conductive agent is determined based on the first resistor, the second resistor, and the third resistor.

6. The method according to claim 5, characterized in that, The process of constructing a set of circuit nodes for each particle in a solid-state battery based on the contact relationships between the particles includes: The correspondence between two contacting particles in a solid-state battery is determined to obtain multiple contact pairs; For each contact pair, construct two third circuit nodes and add the two third circuit nodes to the circuit node set of the corresponding particle.

7. A modeling apparatus for a solid-state battery conductive agent, characterized in that, The device includes: The first construction module is used to construct a first circuit node corresponding to the center of each positive electrode active particle, and a second circuit node corresponding to the center of each negative electrode active particle, wherein the positive electrode active particle is not in contact with the positive electrode current collector, and the negative electrode active particle is not in contact with the negative electrode current collector. The second construction module is used to construct a first resistor between the first circuit node and the positive current collector, and to construct a second resistor between the second circuit node and the negative current collector; The determination module is used to determine the circuit model of the solid-state battery conductive agent based on the first circuit node, the second circuit node, the first resistor, and the second resistor.

8. A computer device comprising a memory and a processor, wherein the memory stores a computer program, characterized in that, When the processor executes the computer program, it implements the steps of the method according to any one of claims 1 to 6.

9. A computer-readable storage medium having a computer program stored thereon, characterized in that, When the computer program is executed by a processor, it implements the steps of the method according to any one of claims 1 to 6.

10. A computer program product, comprising a computer program, characterized in that, When the computer program is executed by a processor, it implements the steps of the method according to any one of claims 1 to 6.

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