{"title":"用于加速高维模拟的锂离子热失控机制列表法","authors":"","doi":"10.1016/j.est.2024.113982","DOIUrl":null,"url":null,"abstract":"<div><div>High-Fidelity numerical simulations of the Thermal Runaway (TR) phenomenon on lithium-ion batteries (LIB) depict stiff system of equations that need to be solved with extremely low time-steps to ensure numerical stability. In the present study, a methodology is presented to improve computational times and convergence of three-dimensional studies. A tabulation approach of the developed chemical kinetics models on the literature is presented to avoid the resolution of the set of Ordinary Differential Equations (ODE) that define the self-heating behavior of LIB under thermal degradation conditions. The desired tables have been obtained through 0-dimensional models for three different cathode materials (<span><math><msub><mrow><mi>LiCoO</mi></mrow><mrow><mn>2</mn></mrow></msub></math></span>, NMC111 and NCA) and the TR mechanism have been replicated with the tabulation method firstly through the 0-dimensional approach and then translated to a 3-dimensional model to ensure its functionality and assess the minimum time-step needed for performing TR simulations. The results through the tabulation method replicate almost exactly the onset temperature for the three cathode chemistry both 0-dimensonally and 3-dimensionally. Additionally, a significant speed up is reported for TR propagation studies performed, allowing time-steps three orders of magnitude larger than through traditional methods while ensuring numerical stability.</div></div>","PeriodicalId":15942,"journal":{"name":"Journal of energy storage","volume":null,"pages":null},"PeriodicalIF":8.9000,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A tabulation method of Li-ion Thermal Runaway mechanisms for the acceleration of high dimensional simulations\",\"authors\":\"\",\"doi\":\"10.1016/j.est.2024.113982\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>High-Fidelity numerical simulations of the Thermal Runaway (TR) phenomenon on lithium-ion batteries (LIB) depict stiff system of equations that need to be solved with extremely low time-steps to ensure numerical stability. In the present study, a methodology is presented to improve computational times and convergence of three-dimensional studies. A tabulation approach of the developed chemical kinetics models on the literature is presented to avoid the resolution of the set of Ordinary Differential Equations (ODE) that define the self-heating behavior of LIB under thermal degradation conditions. The desired tables have been obtained through 0-dimensional models for three different cathode materials (<span><math><msub><mrow><mi>LiCoO</mi></mrow><mrow><mn>2</mn></mrow></msub></math></span>, NMC111 and NCA) and the TR mechanism have been replicated with the tabulation method firstly through the 0-dimensional approach and then translated to a 3-dimensional model to ensure its functionality and assess the minimum time-step needed for performing TR simulations. The results through the tabulation method replicate almost exactly the onset temperature for the three cathode chemistry both 0-dimensonally and 3-dimensionally. Additionally, a significant speed up is reported for TR propagation studies performed, allowing time-steps three orders of magnitude larger than through traditional methods while ensuring numerical stability.</div></div>\",\"PeriodicalId\":15942,\"journal\":{\"name\":\"Journal of energy storage\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":8.9000,\"publicationDate\":\"2024-10-11\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of energy storage\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2352152X24035680\",\"RegionNum\":2,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"ENERGY & FUELS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of energy storage","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2352152X24035680","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENERGY & FUELS","Score":null,"Total":0}
A tabulation method of Li-ion Thermal Runaway mechanisms for the acceleration of high dimensional simulations
High-Fidelity numerical simulations of the Thermal Runaway (TR) phenomenon on lithium-ion batteries (LIB) depict stiff system of equations that need to be solved with extremely low time-steps to ensure numerical stability. In the present study, a methodology is presented to improve computational times and convergence of three-dimensional studies. A tabulation approach of the developed chemical kinetics models on the literature is presented to avoid the resolution of the set of Ordinary Differential Equations (ODE) that define the self-heating behavior of LIB under thermal degradation conditions. The desired tables have been obtained through 0-dimensional models for three different cathode materials (, NMC111 and NCA) and the TR mechanism have been replicated with the tabulation method firstly through the 0-dimensional approach and then translated to a 3-dimensional model to ensure its functionality and assess the minimum time-step needed for performing TR simulations. The results through the tabulation method replicate almost exactly the onset temperature for the three cathode chemistry both 0-dimensonally and 3-dimensionally. Additionally, a significant speed up is reported for TR propagation studies performed, allowing time-steps three orders of magnitude larger than through traditional methods while ensuring numerical stability.
期刊介绍:
Journal of energy storage focusses on all aspects of energy storage, in particular systems integration, electric grid integration, modelling and analysis, novel energy storage technologies, sizing and management strategies, business models for operation of storage systems and energy storage developments worldwide.