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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

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DOE OSTI2017

Mechanical Abuse Simulation and Thermal Runaway Risks of Large-Format Li-ion Batteries

Internal short circuit of large-format Li-ion cells induced by mechanical abuse was simulated using a modified mechanical pinch test. A torsion force was added manually at ~40% maximum compressive loading force during the pinch test. The cell was twisted about 5 degrees to the side by horizontally pulling a wire attached to the anode tab. The combined torsion-compression force created small enough failure at the separator and allowed testing of fully charged large format Li-ion cells without triggering thermal runaway. Two types of commercial cells were tested using 4-6 cells at each state-of-charge (SOC). The 18 Ah LiFePO 4 (LFP) and 25 Ah Li(NiMnCo) 1/3 O 2 (NMC) cells were tested and the thermal runaway risk (TRR) score system was used to evaluate the safety risk of the cells under the same testing conditions. The aim is to provide the cell manufacturers and end users a tool to compare different designs and safety features.

25 ENERGY STORAGE↗

DOE OSTI2016

Computer Aided Battery Engineering Consortium

A multi-national lab collaborative team was assembled that includes experts from academia and industry to enhance recently developed Computer-Aided Battery Engineering for Electric Drive Vehicles (CAEBAT)-II battery crush modeling tools and to develop microstructure models for electrode design - both computationally efficient. Task 1. The new Multi-Scale Multi-Domain model framework (GH-MSMD) provides 100x to 1,000x computation speed-up in battery electrochemical/thermal simulation while retaining modularity of particles and electrode-, cell-, and pack-level domains. The increased speed enables direct use of the full model in parameter identification. Task 2. Mechanical-electrochemical-thermal (MECT) models for mechanical abuse simulation were simultaneously coupled, enabling simultaneous modeling of electrochemical reactions during the short circuit, when necessary. The interactions between mechanical failure and battery cell performance were studied, and the flexibility of the model for various batteries structures and loading conditions was improved. Model validation is ongoing to compare with test data from Sandia National Laboratories. The ABDT tool was established in ANSYS. Task 3. Microstructural modeling was conducted to enhance next-generation electrode designs. This 3- year project will validate models for a variety of electrodes, complementing Advanced Battery Research programs. Prototype tools have been developed for electrochemical simulation and geometric reconstruction.

25 ENERGY STORAGE↗

DOE OSTI2019

Efficient Simulation and Abuse Modeling of Mechanical-Electrochemical-Thermal Phenomena in Li-Ion Batteries

This poster covered simultaneous coupling of electrochemical-thermal models with mechanical deformation in lithium ion batteries. Efficiency and stability of mechanical models was significantly enhanced by implementing electrochemical models into LS-DYNA using User-Defined Elements. Six case studies were built and licensed out to participants from Industry for initial testing and their feedback is being incorporated into these tools. Dynamic response of the cells was incorporated by measuring mechanical response of components at strain rates as high as 250 /s. Temperature range for property measurements was expanded (as high as 200 degrees C) to account for property changes at high temperatures experienced by cell components under battery abuse. Multi-cell validation has been expanded to include four different sets of experimental data, with support from various partners. Complex failure modes and fracture response are currently being investigated. These are still very challenging, given the limited amount of prior work available in the literature.

25 ENERGY STORAGE↗

DOE OSTI2023

Experimental Simulations of Field-Induced Mechanical Abuse Conditions

Mechanical failure of cell components is an important component to understanding safety outcomes for batteries subjected to external loading. Several key parameters governing the mechanical response at the component to the module level are discussed in this chapter. Specifically, nuances associated with experimental measurements of these properties – including development of test methods, fixturing the test articles, ways to minimize errors in measurements, and improving the repeatability of some of these experiments – are examined closely.

Torres-castro, Loraine↗

DOE OSTI2017

Efficient Simulation and Abuse Modeling of Mechanical-Electrochemical-Thermal Phenomena in Lithium-Ion Batteries

NREL's Energy Storage team is exploring the effect of mechanical crush of lithium ion cells on their thermal and electrical safety. PHEV cells, fresh as well as ones aged over 8 months under different temperatures, voltage windows, and charging rates, were subjected to destructive physical analysis. Constitutive relationship and failure criteria were developed for the electrodes, separator as well as packaging material. The mechanical models capture well, the various modes of failure across different cell components. Cell level validation is being conducted by Sandia National Laboratories.

25 ENERGY STORAGE↗

DOE OSTI2023

Chapter 6: Abuse Response of Batteries Subjected to Mechanical Impact

Electrochemical and thermal models to simulate nominal performance and abuse response of lithium-ion cells and batteries have been reported widely in the literature. Studies on mechanical failure of cell components and how such events interact with the electrochemical and thermal response are relatively less common. This chapter outlines a framework developed under the Computer Aided Engineering for Batteries program to couple failure modes resulting from external mechanical loading to the onset and propagation of electrochemical and thermal events that follow. Starting with a scalable approach to implement failure criteria based on thermal, mechanical, and electrochemical thresholds, we highlight the practical importance of these models using case studies at the cell and module level. The chapter also highlights a few gaps in our understanding of the comprehensive response of batteries subjected to mechanical crash events, the stochastic nature of some of these failure events, and our approach to build safety maps that help improve robustness of battery design by capturing the sensitivity of some key design parameters to heat generation rates under different mitigation strategies.

abuse simulations↗

DOE OSTI2023

Observation and Modeling of the Thermal Runaway of High-Capacity Pouch Cells Due to an Internal Short Induced by an Indenter

Owing to the complexity of coupling mechanical and electrical solvers for finite element analysis (FEA) of mechanical abuse of a battery, the simulation should be performed by incorporating a local short circuit model activated based on the status of battery elements. However, the approach should also consider various other conditions of the battery simulated, such as the initial state of charge (SOC), for precise simulations of the internal short. This study proposes an approach developed with a mechanical model and single-particle battery model, along with a reaction kinetics model for thermal abuse using LS-DYNA. Several key parameters were selected, such as the activation criteria, kinetic abuse and element integration points during the internal short circuit induced by the indenter. The impact of these key parameters in the FEA on thermal runaway response for various initial SOCs from 25 to 100 % were analyzed. The FEA results obtained were compared against experimental results with various parameters such as activation criterion of internal short, kinetic abuse based on accelerating rate calorimetry (ARC) data. Finally, the root causes of the discrepancy between the FEA and experimental results are discussed regarding integration point what solver can make difference during calculation.

ENERGY STORAGE↗

DOE OSTI2020

Modeling strategy for progressive failure prediction in lithium-ion batteries under mechanical abuse

The prediction for the internal failure of lithium-ion batteries (LIBs) under external mechanical abuse loading remains a challenge for safe design. This paper systematically studies the modeling approach for progressive failure simulation and short-circuit prediction. Hemispherical indentation experiments are conducted on a battery specimen containing 5 representative sandwich (RS) layers to examine the deformation and progressive failure behavior of battery components. Three different models, viz, a high-fidelity detailed model, an intermediate homogenized model and a fully homogenized model, are developed and employed to simulate the progressive failure in a multi-layer battery specimen. The simulation results obtained using the three models all correlate well with experimental phenomena, capturing the overall stress-strain response and ultimate failure of the battery structure. The numerical results can help us understand the failure behavior and the mechanism for mechanical abuse-induced short circuit in LIBs. The feasibility of the three models for use in progressive failure prediction is compared by analyzing the capability of the models in predicting the critical failure events, the computational efficiency of the models, and the feasibility to implement coupled mechanical-electrochemical-thermal simulations. The results of this work provide useful insights on practical choices for the modeling strategy and safety design of LIBs under mechanical abuse conditions.

25 ENERGY STORAGE↗

DOE OSTI2026

Mechanical, Electrochemical & Thermal Modeling of Electric Vehicle Batteries for Crash Simulation (CRADA CRD-19-00811 Final Report)

Under the proposed effort in partnership with Hyundai Motor Company (HMC), the National Laboratory of the Rockies (NLR) will cooperate with HMC to develop mathematical models for battery cells and modules for simulating abuse response in batteries subject to the type of mechanical crushing that can occur in a full motor vehicle crash.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2016

Interpretation of Simultaneous Mechanical-Electrical-Thermal Failure in a Lithium-Ion Battery Module: Preprint

Lithium-ion batteries are currently the state-of- the-art power sources for electric vehicles, and their safety behavior when subjected to abuse, such as a mechanical impact, is of critical concern. A coupled mechanical-electrical-thermal model for simulating the behavior of a lithium-ion battery under a mechanical crush has been developed. We present a series of production-quality visualizations to illustrate the complex mechanical and electrical interactions in this model.

25 ENERGY STORAGE↗

DOE OSTI2016

Energy Storage Annual Progress Report for FY15

The Energy Storage research and development (R&D) subprogram within the DOE Vehicle Technologies Office (VTO) provides support and guidance for projects focusing on batteries for plug-in electric vehicles (PEVs) in support of the EV Everywhere Grand Challenge. PEVs could have a significant impact on the nation's goal of reducing dependence on imported oil and gaseous pollutant emissions. The Energy Storage program targets overcoming technical barriers to enable market success, including: (1) significantly reducing battery cost; (2) increasing battery performance (power, energy, durability); (3) reducing battery weight and volume; and (4) increasing battery tolerance to abusive conditions such as short circuit, overcharge, and crush. The National Renewable Energy Laboratory (NREL) supports the VTO's Energy Storage program by evaluating the thermal performance of cells and packs, developing electrochemical-thermal models to accelerate the design cycle for developing batteries, investigating the behavior of lithium-ion batteries under abuse conditions such as crush, enhancing the durability of electrodes by coatings such as atomic layer deposition, synthesis of materials for higher energy density batteries, and conducting techno-economic analysis of batteries in various electric-drive vehicles. This report describes the progress made by NREL on the research and development projects funded by the DOE VTO Energy Storage subprogram in FY15.

25 ENERGY STORAGE↗

DOE OSTI2018

Battery Safety Testing

Abuse tests are designed to determine the safe operating limits of HEV\PHEV energy storage devices. Testing is intended to achieve certain worst-case scenarios to yield quantitative data on cell\module\pack response, allowing for failure mode determination and guiding developers toward improved materials and designs. Standard abuse tests with defined start and end conditions are performed on all devices to provide comparison between technologies. New tests and protocols are developed and evaluated to more closely simulate real world failure conditions. While robust mechanical models for vehicles and vehicle components exist, there is a gap for mechanical modeling of EV batteries. The challenge with developing a mechanical model for a battery is the heterogeneous nature of the materials and components (polymers, metals, metal oxides, liquids). Our work will provide empirical data on the mechanical behavior of batteries under compressive load to understand how a battery may behave in a vehicle crash scenario. This work is performed in collaboration with the U.S. Council for Automotive Research (USCAR) and Computer Aided Engineering of Batteries (CAEBAT). These programs have supported the design and development of a drop tower testing apparatus to close the gap between cell/string level testing and full scale crash testing with true dynamic rate effects.

25 ENERGY STORAGE↗

DOE OSTI2021

I.6.C Battery Safety Testing

25 ENERGY STORAGE↗

DOE OSTI2020

Battery Abuse Testing

Abuse tests are designed to determine the safe operating limits of HEV\PHEV energy storage devices. Testing is intended to achieve certain worst-case scenarios to yield quantitative data on cell\module\pack response, allowing for failure mode determination and guiding developers toward improved materials and designs. Standard abuse tests with defined start and end conditions are performed on all devices to provide comparison between technologies. New tests and protocols are developed and evaluated to more closely simulate real-world failure conditions. While robust mechanical models for vehicles and vehicle components exist, there is a gap for mechanical modeling of EV batteries. The challenge with developing a mechanical model for a battery is the heterogeneous nature of the materials and components (polymers, metals, metal oxides, liquids). This year saw the stand up of a new drop tower tester capable of providing dynamic mechanical test results.

25 ENERGY STORAGE↗

DOE OSTI2017

A Simulation Framework for Battery Cell Impact Safety Modeling Using LS-DYNA

The development process of electrified vehicles can benefit significantly from computer-aided engineering tools that predict themultiphysics response of batteries during abusive events. A coupled structural, electrical, electrochemical, and thermal model framework has been developed within the commercially available LS-DYNA software. The finite element model leverages a three-dimensional mesh structure that fully resolves the unit cell components. The mechanical solver predicts the distributed stress and strain response with failure thresholds leading to the onset of an internal short circuit. In this implementation, an arbitrary compressive strain criterion is applied locally to each unit cell. A spatially distributed equivalent circuit model provides an empirical representation of the electrochemical responsewith minimal computational complexity.The thermalmodel provides state information to index the electrical model parameters, while simultaneously accepting irreversible and reversible sources of heat generation. The spatially distributed models of the electrical and thermal dynamics allow for the localization of current density and corresponding temperature response. The ability to predict the distributed thermal response of the cell as its stored energy is completely discharged through the short circuit enables an engineering safety assessment. A parametric analysis of an exemplary model is used to demonstrate the simulation capabilities.

25 ENERGY STORAGE↗

DOE OSTI2016

Coupling of Mechanical Behavior of Lithium Ion Cells to Electrochemical-Thermal (ECT) Models for Battery Crush

Vehicle crashes can lead to crushing of the battery, damaging lithium ion battery cells and causing local shorts, heat generation, and thermal runaway. Simulating all the physics and geometries at the same time is challenging and takes a lot of effort; thus, simplifications are needed. We developed a material model for simultaneously modeling the mechanical-electrochemical-thermal behavior, which predicted the electrical short, voltage drop, and thermal runaway behaviors followed by a mechanical abuse-induced short. The effect of short resistance on the battery cell performance was studied.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2017

Constitutive behavior and progressive mechanical failure of electrodes in lithium-ion batteries

The electrodes of lithium-ion batteries (LIB) are known to be brittle and to fail earlier than the separators during an external crush event. Thus, the understanding of mechanical failure mechanism for LIB electrodes (anode and cathode) is critical for the safety design of LIB cells. In this paper, we present experimental and numerical studies on the constitutive behavior and progression of failure in LIB electrodes. Mechanical tests were designed and conducted to evaluate the constitutive properties of porous electrodes. Constitutive models were developed to describe the stress-strain response of electrodes under uniaxial tensile and compressive loads. The failure criterion and a damage model were introduced to model their unique tensile and compressive failure behavior. The failure mechanism of LIB electrodes was studied using the blunt rod test on dry electrodes, and numerical models were built to simulate progressive failure. The different failure processes were examined and analyzed in detail numerically, and correlated with experimentally observed failure phenomena. Finally, the test results and models improve our understanding of failure behavior in LIB electrodes, and provide constructive insights on future development of physics-based safety design tools for battery structures under mechanical abuse.

25 ENERGY STORAGE↗

DOE OSTI2023

Energetics of high temperature degradation of fentanyl into primary and secondary products

Fentanyl is a synthetic opioid used for managing chronic pain. Due to its higher potency (50–100×) than morphine, fentanyl is also an abused drug. A sensor that could detect illicit fentanyl by identifying its thermally degraded fragments would be helpful to law enforcement. While experimental studies have probed the thermal degradation of fentanyl, little theoretical work has been done to understand the mechanism. Here, we studied the thermal degradation pathways of fentanyl using extensive ab initio molecular dynamics simulations combined with enhanced sampling via multiple-walker metadynamics. We calculated the free energy profile for each bond suggested earlier as a potential degradation point to map the thermodynamic driving forces. In conclusion, we also estimated the forward attempt rate of each bond degradation reaction to gain information about degradation kinetics.

Poudel, Bharat↗