全固态电池特性建模与仿真研究进展

赵立金; 杨世春; 刘国芳; 曲婧瑶; 孙旭东

doi:10.13700/j.bh.1001-5965.2025.0322

全固态电池特性建模与仿真研究进展

doi: 10.13700/j.bh.1001-5965.2025.0322

赵立金^{1, 2},
杨世春^1, ,,
刘国芳²,
曲婧瑶²,
孙旭东^{2, 3}

1.
北京航空航天大学交通科学与工程学院，北京 100191
2.
中国汽车工程学会，北京 100176
3.
重庆大学机械与运载工程学院，重庆 400044

基金项目:

国家重点研发计划(2023YFB2408200)

详细信息

通讯作者:
E-mail：yangshichun@buaa.edu.cn

中图分类号: TM912
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- 被引次数: 0
出版历程
- 收稿日期: 2025-05-27
- 录用日期: 2025-09-25
- 网络出版日期: 2025-10-15
- 整期出版日期: 2026-10-01

Research progress on modeling and simulation of characteristics of all-solid-state batteries

ZHAO Lijin^{1, 2},
YANG Shichun^{1
, ,},
LIU Guofang²,
QU Jingyao²,
SUN Xudong^{2, 3}

1.
School of Transportation Science and Engineering，Beihang University，Beijing 100191，China
2.
China Society of Automotive Engineers，Beijing 100176，China
3.
College of Mechanical and Vehicle Engineering，Chongqing University，Chongqing 400044，China

Funds:

National Key Research and Development Program of China (2023YFB2408200)

More Information

Corresponding author: E-mail：yangshichun@buaa.edu.cn

摘要

摘要:
全固态电池(ASSB)具备高比能和高安全的潜在特点，是全球各国政府及主流车企均在积极布局的下一代电池技术，但仍面临较大的研发和产业化挑战。通过开展全固态电池建模和仿真研究，可揭示其工作机制、掌握影响规律，进而设计满足指标需求、达到工作性能的全固态电池，缩短实验测试与开发周期。围绕全固态电池的分子动力学计算、关键材料及界面特性、电化学性能领域的建模和仿真工作进行了总结和分析，并重点对硫化物固态电解质材料微观结构建模、界面特性、离子输运机制、电解质间隙诱导应力和断裂等领域进行梳理，对全固态电池建模及仿真发展趋势进行展望，提出今后研究重点，期望可以促进全固态电池尽快实现产业化和应用。
- 全固态电池 /
- 建立模型 /
- 仿真分析 /
- 多物理场 /
- 固态电解质
Abstract:
Governments and large automakers worldwide are aggressively investing in and developing all-solid-state batteries (ASSBs) as a next-generation battery technology because of their promise to provide high specific energy and improved safety. However, significant challenges remain in terms of research and development as well as large-scale industrialization. Conducting modeling and simulation studies on ASSBs can help reveal their underlying operational mechanisms and clarify the factors influencing their performance. This, in turn, enables the design of ASSBs that meet targeted specifications and achieve desired operational performance, ultimately shortening the cycles of experimental testing and development. This paper provides a comprehensive review and analysis of modeling and simulation efforts in the areas of molecular dynamics calculations, key materials and interfacial characteristics, and electrochemical performance of ASSBs. Particular emphasis is placed on the microstructural modeling of sulfide-based solid electrolytes, interfacial behavior, ion transport mechanisms, stress generation, and fracture induced by the interphase between electrodes and electrolytes. The study also identifies possible research goals, describes future trends in ASSB modeling and simulation, and attempts to use these insights to hasten the industrialization and practical application of ASSBs.
- all-solid-state battery /
- model building /
- simulation analysis /
- multi physics field /
- solid electrolyte

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图 1 全固态电池典型结构

Figure 1. Typical structure of all-solid-state battery

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图 2 电极TLM模型^[25]

Figure 2. Electrode transmission line model^[25]

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图 3 充电3.9 V和4.3 V复合NMC正极的三维数值模拟结果^[27]

Figure 3. Three-dimensional numerical simulation results of composite NMC positive electrode of charging 3.9 V and 4.3 V^[27]

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图 4 不同类型的锂枝晶生长形貌观测^[40]

Figure 4. Observation of growth morphology of different types of lithium dendrites^[40]

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图 5 不同加载速率下载荷与压痕深度的仿真对比^[57]

Figure 5. Simulation comparison of load and indentation depth at different loading rates^[57]

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图 6 600 K下观察到的50 ps的锂离子扩散轨迹^[70]

Figure 6. Observation of 50 ps lithium ion diffusion trajectories at 600 K^[70]

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图 7 固态电池界面失效示意图

Figure 7. Schematic diagram of interface failure of solid-state battery

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图 8 裂纹扩展程度与阻抗增加之间的直接相关性^[75]

Figure 8. Direct correlation between crack propagation degree and impedance increase^[75]

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图 9 界面离子插层反应模型^[81]

Figure 9. Interface ion intercalation reaction model^[81]

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图 10 枝晶通过扩展裂纹扩展的加压裂纹示意图^[114]

Figure 10. Schematic diagram of pressurized cracks propagated by dendrites through crack propagation^[114]

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图 11 不同设计参数与固态电池性能之间的关系^[127]

Figure 11. Relationship between different design parameters and performance of solid-state batteries^[127]

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图 12 正极材料有限元模型的几何、离散化和边界条件^[34]

Figure 12. Geometry, discretization, and boundary conditions of finite element model for positive electrode materials^[34]

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图 13 一种理想化的模型化锂离子半电池^[140]

Figure 13. An idealized model of a Li-ion half-cell^[140]

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图 14 考虑不完美固-固接触界面与电极和电解质界面处的空间电荷层的全固态电池模型^[141]

Figure 14. A fully solid-state battery model considering space charge layer at imperfect solid solid contact interface and space charge layers at electrode and electrolyte interface^[141]

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表 1 整车企业固态电池产品布局

Table 1. Layout of solid state battery products for vehicle enterprises

车企	搭载车型	电池供应商	装车进程
丰田汽车		自研	2025年8月，宣布突破硫化物固态电池耐久性瓶颈，计划2027—2028年量产装车
日产汽车		自研	2024年4月，宣布横滨工厂建成全固态电池试产线，计划2028年量产
宝马集团	i7	Solid Power	2025年5月，宣布与Solid Power联合开发20 Ah全固态电芯，启动原型车i7路测
大众集团		Quantum Scape	通过Quantum Scape投资推进固态电池商业化，2024年1月通过PowerCo耐久性指标验证；2025年9月，完成全球首次QS固态锂金属电池驱动电动车的实车演示
福特汽车		SK On	与SK On合作开发聚合物基固态电池，计划2026年装车测试
长安汽车		自研	预计2026年实现固态电池装车验证，2027年推进全固态电池逐步量产，能量密度达400 Wh/kg
东风汽车	奕派007	自研	2025年9月，表示全自主研发350 Wh/kg、1 C固态电池，2026年装车；第二代半固态电池量产装车（奕派007车型），支持4 C快充
上汽集团	MG4	上汽清陶能源	2025年在全新MG4上量产新一代固态电池，并计划于2027年推出首款全固态“光启电池”
广汽集团	昊铂	自研	2024年4月，宣布第三代海绵硅负极技术和高面容量固态正极技术，实现全固态电池能量密度达到400 Wh/kg以上，目标在2026年完成全固态电池开发，并首先搭载于昊铂车型
奇瑞汽车		自研	2024年宣布，自主研发的全固态电池，1500 km续航，6 C充电效率，且将会在2026年上车，2027年开始量产
蔚来汽车	ES6/ET7	北京卫蓝新能源	搭载150 kWh半固态电池的ES6、ET7于2023年量产；2024年6月起，150 kWh电池包适配蔚来旗下所有车型

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表 2 电池企业固态电池产品布局

Table 2. Layout of solid state battery products for battery enterprises

企业	电池类型	能量密度/(Wh·kg⁻¹)	产业化进程
宁德时代	全固态电池	500	2025年5月，表示预计2027年有望实现小批量生产
比亚迪	硫化物全固态电池	400	2024年宣布，首款全固态电池将搭载于海豹EV车型；全固态电池中试完成，重庆璧山基地规划100 GWh产能
中创新航	全固态电池	430	自研的430 Wh/kg全固态电池已完成产线建设，并规划了从半固态到全固态的稳健推进路线，配套产线于2025年正式投用
国轩高科	全固态电池	350	2024年5月，推出金石全固态电池，比能量350 Wh/kg；2025年5月，推出G垣准固态电池，比能量300 Wh/kg；宣布首条全固态实验线贯通，该生产线100%自主开发，设计产能达0.2 GWh，良品率高达90%
蜂巢能源	半固态电池	300	2025年11月，半固态电池产线正式投产，第一代高镍半固态电池（能量密度270 Wh/kg）已实现小批量生产，首搭于欧洲豪华品牌乘用车；第二代高镍半固态电池（能量密度342 Wh/kg）开发完成，主要配套低空飞行器，已完成装机试飞测试
孚能科技	硫化物全固态电池	400～500	硫化物固态电池突破车规级验证，能量密度400 Wh/kg，续航超1000 km，10 min快充80%，安全性能提升10倍，2026年小批量交付广汽埃安等车企
赣锋锂业	固态电池	400～500	2025年6月，表示已形成电池全链路布局，首款500 Wh/kg级10 Ah产品实现小批量量产，400 Wh/kg电池循环寿命突破800次并完成工程验证
鹏辉能源	固态电池	320	2025年8月，表示固态电池能量密度已由280 Wh/kg提升至320 Wh/kg
上汽清陶能源	半固态电池+ 全固态电池	368	国内首条1 GWh半固态电池产线已投产，能量密度368 Wh/kg，搭载上汽智己L6车型实现1000 km续航，全固态电池计划2026年量产，能量密度目标500 Wh/kg
北京卫蓝新能源	半固态电池+ 全固态电池	360	150 kWh半固态电池包已交付蔚来ET7，充电倍率提升至3 C，2025年底，半固态电池已有产能规模达5.6 GWh；全固态电池能量密度达400 Wh/kg，计划2027年小批量装车
LG新能源	固态电池		计划开发包括固态电池在内的下一代电池，并将在2030年前推出成熟产品
三星SDI	全固态电池		新一代电池能量密度预计可达约900 Wh/L，有望在2027年前后应用于下一代Galaxy系列手机及电动交通工具中
SK On	半固态电池		一条半固态电池中试线正在运行，半固态电池样品将在2026年底实现生产
Quantum Scape	全固态电池	400	与大众合作推进固态电池量产，目标能量密度400 Wh/kg；2025年6月，宣布独特的Cobra隔膜工艺已顺利融入基线电池生产流程

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表 3 锂电池常用模型总结

Table 3. Summary of commonly used models for lithium batteries

模型	基本介绍	示意图	优点	缺点	适用范围
电化学模型	基于电化学反应机理构建，如Newman伪二维（pseudo-two-dimensions，P2D）模型，通过偏微分方程描述锂离子在固/液相中的扩散、电荷转移和电解质迁移等过程，典型应用包括电极材料优化和充放电特性预测		①物理意义明确，能精确描述电池内部反应机理； ②适用于微观尺度（如活性颗粒）的优化设计	①计算复杂度高，需大量参数（如扩散系数、反应速率常数）； ②难以扩展到模组或系统级别	电极材料开发、高精度单体电芯性能仿真、基础电化学研究
等效电路模型	通过电路元件（电阻、电容、电感等）模拟电池外特性，如Rint、Thevenin、PNGV模型等，分数阶等效电路模型进一步引入非线性元件提升动态特性拟合能力		①结构简单，参数辨识容易（如通过脉冲测试提取欧姆内阻、极化电阻）； ②计算效率高，适用于实时状态估计，如SOC、SOH	①无法反映电池内部机理（如锂枝晶生长）； ②精度受限于模型阶数，高阶模型参数辨识困难	电池管理系统在线控制、电动汽车能量管理策略、快速仿真场景（如硬件在环测试）
热-电化学-力耦合模型	多物理场耦合模型，结合电化学、热力学和力学效应，模拟电池充放电过程中的电流分布、温度场变化及应力演变（如扩散诱导应力、热应力）		①全面分析电池性能与安全性（如热失控、结构形变）； ②支持固态电池等新型设计的优化	①计算资源消耗巨大，需高性能计算支持； ②模型参数获取复杂（如材料弹性模量、热膨胀系数）	电池热管理设计、固态电池应力分析、极端工况下的安全性评估
神经网络模型	数据驱动模型，通过大量实验数据训练网络（如长短期记忆网络、卷积神经网络）预测电池特性（如容量衰减、电压响应），无需依赖机理公式，适合处理非线性问题		①适应复杂工况（如动态负载、老化演变）； ②可融合多源数据（电压、温度、电流）提升预测精度	①依赖高质量数据集，数据获取成本高； ②模型泛化能力受限，外推性能较差	电池寿命预测、复杂动态工况下的状态估计、数据丰富的工业场景（如电池回收评估）

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表 4 不同结构锂硫银锗矿型固态电解质的离子电导率和电子电导率^[67]

Table 4. Ionic and electronic conductivity of lithium sulfur silver germanite solid electrolytes with different structures^[67]

化学式	离子电导率/（mS·cm⁻¹）	电子电导率/（mS·cm⁻¹）
Li_5.5PS_4.5Cl_1.5	3.9	1.4×10⁻⁵
Li_5.75PS_4.75Cl_1.25	3.0	2.6×10⁻⁵
Li₆PS₅Br	1.9	4.4×10⁻⁶
Li₆PS₅Cl_0.25Br_0.75	3.4	1.1×10⁻⁵
Li₆PS₅Cl_0.5Br_0.5	3.9	1.4×10⁻⁵
Li₆PS₅Cl_0.75Br_0.25	3.2	3.7×10⁻⁶
Li₆PS₅Cl	2.4	5.1×10⁻⁶

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