Addressing Challenging Thermal Runaway Simulation Requirements through Detailed 3D CFD Models - paper

Oct 3, 2026

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The work addresses challenging thermal runaway simulation requirements by building detailed 3D CFD battery models in CONVERGE. It covers coupled electrothermal response, immersion and air/liquid cooling with phase-change materials, and calibrated thermal runaway mechanisms using ARC and DSC-derived kinetic and multi-reaction parameters. Thermal runaway propagation is modeled with detailed chemical kinetics, Arrhenius-based mechanisms, and vent-gas ignition and combustion. Validation and mitigation studies combine single-cell and assembly testing, calibration, and virtual evaluation of strategies for preventing thermal propagation.

LanguageEnglish

CategoryResearch & Report

FormatPDF

Pages27

Reading Time1 h 8 min

AccessFree to download

Thermal runaway simulation requirements

Detailed 3D battery simulations using CONVERGE

Thermal runaway mechanisms in CONVERGE

Selecting suitable thermal runaway mechanisms

Fighting thermal runaway propagation

Path to no thermal runaway propagation

Single cell testing and calibration setup

Single cell testing results

Addressing Challenging Thermal Runaway Simulation Requirements through Detailed 3D CFD Models Kislaya Srivastava, Tristan Burton Convergent Science Inc., Northville, MI, USA Alexander Fandakov, Lorenz von Roemer, Marc Sens, Marcus Woebke IAV GmbH, Berlin, Germany Detailed 3D Battery Simulations Using CONVERGE • Air/liquid/immersion cooling, including phase-change materials • Electrothermal response using lumped equivalent circuit model or 3D coupled potential solver with electrochemistry • Thermal runaway mechanism calibration tools • ARC Data: Specifying mechanism kinetic parameters • DSC Data: Constructing multi-reaction mechanisms | | | | | --- | --- | --- | • Thermal runaway propagation: SAGE detailed chemical kinetics solver • Arrhenius-based chemical reaction mechanisms • Thermal runaway vent gas ignition and combustion • Vent gas ignition, battery pack fires/explosion, fire | | | suppression, solid ejecta, and deposition | | --- | --- | --- | | | | | * Ren, D., Liu, X., Feng, X., Lu, L. Ouyang, M., Li, J., and He, X., “Model-based thermal runaway prediction of lithium-ion batteries from kinetics analysis of cell components,” Applied Energy, 228, 633-644, 2018. Thermal Runaway Mechanisms in CONVERGE REN TR MECHANISM • 6 reactions, NMC battery chemistry • Ren et al., 2018 * 􀟢􀯫 = 􀜣 􀯫 ⋅ exp 􀜧~~ ~~􀯔􀜴􀜶,~~ ~~ ⋅ 􀝂􀯫 (􀜿􀯫) 􀜿􀯫 = 1 − න􀟢􀯫 􀝀􀝐 􀝂􀯫 􀜿􀯫 = 􀜿􀯡􀯫􀳣 􀜳􀯫 = 􀝉􀯫 ⋅ Δ􀜪􀯫 ⋅ 􀟢􀯫􀜿􀯌􀮾􀯂 = 1 − න􀟢􀯌􀮾􀯂 􀝀􀝐 SEI film decomposition (SEI) Anode and electrolyte (An-E) Anode and binder (An-B) Cathode and anode (Cat-An) Cathode and binder (Cat-B) Cathode decomposition (Cat) 􀜿􀮺􀯡−􀮾 = 􀜿􀮼􀯔􀯧−􀮺􀯡 = 1 − න 􀟢􀮺􀯡−􀮾 + 􀟢 􀮼􀯔􀯧−􀮺􀯡 􀝀􀝐 􀜿􀮺􀯡−􀮻 = 􀜿􀮼􀯔􀯧−􀮻 = 1 − න ~~ ~~1~~ ~~~~ ~~􀟛 ⋅ 􀟢􀮺􀯡−􀮻 + 􀟢 􀮼􀯔􀯧−􀮻 􀝀􀝐 􀜿􀮼􀯔􀯧 = 1 − න􀟢 􀮼􀯔􀯧 􀝀􀝐 􀜳􀯚􀯘􀯡 = 􀜳􀯌􀮾􀯂 + 􀜳􀮺􀯡−􀮾 + 􀜳􀮺􀯡−􀮻 + 􀜳 􀮼􀯔􀯧−􀮺􀯡 + 􀜳 􀮼􀯔􀯧−􀮻 + 􀜳 􀯖􀯔􀯧 Selecting Suitable Thermal Runaway Mechanisms 􀟢􀯫 =⋅ exp 􀜧~~ ~~􀯔􀜴􀜶,~~ ~~ ⋅ 􀝂􀯫 (􀜿 􀯫)􀝂􀯫 􀜿􀯫 = 􀜿􀯡􀯫 􀜳 􀯫 = 􀝉􀯫 ⋅ Δ􀜪􀯫 ⋅ 􀟢􀯫 Fighting Thermal Runaway Propagation • Collaborative work between IAV GmbH and Convergent Science Inc. • Addressing the ever-increasing risk for Thermal Runaway Propagation • Evaluation across different development targets : Cell chemistry, Cell format, Cell2Battery configuration, Thermal management, Venting system • Assess mitigation technologies and develop novel methodologies • Thermal management operation strategy optimization : Predictive 3D simulation approaches • Work published at the 45th International Vienna Motor Symposium Sens, M., Fandakov, A., Mueller, K., von Roemer, L., Woebke, M., Tourlonias, P., Mueller, T., Burton, T., Srivastava, K., and Senecal, P. K.,“From Thermal Runaway to No Thermal Propagation,” 45th International Vienna Motor Symposium, Vienna, Austria, Apr 24–26, 2024. [https://doi.org/10.62626/wznd-tsm7](https://doi.org/10.62626/wznd-tsm7) The Path to No Thermal Runaway Propagation Extensive single cell and cell assembly testing within IAV test facilities Simulation methodology development and validation using CONVERGE Investigation of new TRP mitigation technologies through detailed 3D CFD • Different cell chemistries, cell assembly setups, TR initiation methods, propagation mitigation measures • Measurement data to help validate TR and TRP simulation approaches • Understanding TRP process at critical conditions with different mitigation technologies • Chemistry-based TR mechanism calibration for different cell chemistries • Validation with single cell characterizations • Transfer to cell assembly models and validation with assembly measurements • Consideration of thermal management, pack configuration, vent gases, gas combustion • Deployment of validated TR mechanismsand cell assembly models • Virtual assessment of different technologies for slowing down or mitigating TRP : Foams, compression pads, oil, PCMs, etc. Single Cell Testing NMC LFP SIB • Cell chemistry and triggering method comparison • NMC811, LFP, SIB : 18650 Cylindrical format •

FAQs

What is the purpose of the detailed 3D CFD models in CONVERGE?

To meet challenging requirements for simulating battery thermal runaway, including electrothermal coupling, cooling effects, mechanism calibration, and propagation behavior.

How are thermal runaway mechanisms calibrated?

The approach uses ARC data to specify mechanism kinetic parameters and DSC data to construct multi-reaction mechanisms, then calibrates mechanisms to match measured behavior (e.g., venting timing and thermal response).

What mitigation and validation activities are described?

The document describes collaboration between teams, mitigation technology evaluation, simulation methodology development and validation with CONVERGE, extensive single-cell and assembly testing, and virtual assessment of technologies to slow or mitigate thermal runaway propagation (TRP).

Oct 3, 2026

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