Safer Batteries through Coupled Multiscale Modeling

Turner, John A.; Allu, Srikanth; Berrill, M.; Elwasif, Wael; Kalnaus, Sergiy; Kumar, Abhishek; Lebrun-Grandié, Damien; Pannala, Sreekanth; Simunovic, Srdjan

doi:10.1016/j.procs.2015.05.286

Cited by 9 publications

(8 citation statements)

References 41 publications

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“…Later on, mechanical aspects were added into this open platform (termed VIBE, virtual integrated battery environment) for analysis of crush scenarios such as vehicle crashes. 423…”

Section: Cellmentioning

confidence: 99%

“… The work which focused on the importance of heat dissipation via metal current collectors was validated on several case studies (unrolled cell, pouch cell, and cylindrical cell). Later on, mechanical aspects were added into this open platform (termed VIBE, virtual integrated battery environment) for analysis of crush scenarios such as vehicle crashes …”

Section: Cellmentioning

confidence: 99%

“…Later on, mechanical aspects were added into this open platform (termed VIBE, virtual integrated battery environment) for analysis of crush scenarios such as vehicle crashes. 424 A different approach to coupling the various scales, from atomistic to continuum levels, was proposed by Latz and Zausch. 425 The authors proposed a mathematical average formalism, using the framework of rational thermodynamics, which allows one to capture and couple the relevant physics on each scale, including the ionic and electronic transport and the heat.…”

Section: Cellmentioning

confidence: 99%

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Boosting Rechargeable Batteries R&D by Multiscale Modeling: Myth or Reality?

et al. 2019

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This review addresses concepts, approaches, tools, and outcomes of multiscale modeling used to design and optimize the current and next generation rechargeable battery cells. Different kinds of multiscale models are discussed and demystified with a particular emphasis on methodological aspects. The outcome is compared both to results of other modeling strategies as well as to the vast pool of experimental data available. Finally, the main challenges remaining and future developments are discussed.

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“…Later on, mechanical aspects were added into this open platform (termed VIBE, virtual integrated battery environment) for analysis of crush scenarios such as vehicle crashes. 423…”

Section: Cellmentioning

confidence: 99%

Section: Cellmentioning

confidence: 99%

Section: Cellmentioning

confidence: 99%

See 1 more Smart Citation

Boosting Rechargeable Batteries R&D by Multiscale Modeling: Myth or Reality?

et al. 2019

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“…Due to the widespread consumer usage of LIBs, especially as electric vehicles and their associated infrastructure become more prevalent, there is significant motivation to improve our understanding of their behavior and performance. 1 While a large portion of battery research observes and models battery behavior from a cell or batterypack level, [2][3][4] the physical phenomena governing the battery operation take place at the mesoscale (particle-scale). At the mesoscale, electrochemical reactions occur on active material particle surfaces and ions/electrons undergo transport through the tortuous bi-continuous network formed by the constituent phases.…”

mentioning

confidence: 99%

Mesoscale Effective Property Simulations Incorporating Conductive Binder

Trembacki

Noble

Brunini

et al. 2017

J. Electrochem. Soc.

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Lithium-ion battery electrodes are composed of active material particles, binder, and conductive additives that form an electrolytefilled porous particle composite. The mesoscale (particle-scale) interplay of electrochemistry, mechanical deformation, and transport through this tortuous multi-component network dictates the performance of a battery at the cell-level. Effective electrode properties connect mesoscale phenomena with computationally feasible battery-scale simulations. We utilize published tomography data to reconstruct a large subsection (1000+ particles) of an NMC333 cathode into a computational mesh and extract electrode-scale effective properties from finite element continuum-scale simulations. We present a novel method to preferentially place a composite binder phase throughout the mesostructure, a necessary approach due difficulty distinguishing between non-active phases in tomographic data. We compare stress generation and effective thermal, electrical, and ionic conductivities across several binder placement approaches. Isotropic lithiation-dependent mechanical swelling of the NMC particles and the consideration of strain-dependent composite binder conductivity significantly impact the resulting effective property trends and stresses generated. Our results suggest that composite binder location significantly affects mesoscale behavior, indicating that a binder coating on active particles is not sufficient and that more accurate approaches should be used when calculating effective properties that will inform battery-scale models in this inherently multi-scale battery simulation challenge.

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“…A new area of interest in battery modeling is multiscale models [43,44,65]. Volume-averaged models, such as the virtual integrated battery environment (VIBE) [66], are required for cell-, module-, and pack-scale simulations.…”

Section: Ongoing Effortsmentioning

confidence: 99%

Insights Into Lithium-Ion Battery Degradation and Safety Mechanisms From Mesoscale Simulations Using Experimentally Reconstructed Mesostructures

Roberts

Mendoza

Brunini

et al. 2016

Journal of Electrochemical Energy Conversion and Storage

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Battery performance, while observed at the macroscale, is primarily governed by the bicontinuous mesoscale network of the active particles and a polymeric conductive binder in its electrodes. Manufacturing processes affect this mesostructure, and therefore battery performance, in ways that are not always clear outside of empirical relationships. Directly studying the role of the mesostructure is difficult due to the small particle sizes (a few microns) and large mesoscale structures. Mesoscale simulation, however, is an emerging technique that allows the investigation into how particle-scale phenomena affect electrode behavior. In this manuscript, we discuss our computational approach for modeling electrochemical, mechanical, and thermal phenomena of lithium-ion batteries at the mesoscale. We review our recent and ongoing simulation investigations and discuss a path forward for additional simulation insights.

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Safer Batteries through Coupled Multiscale Modeling

Cited by 9 publications

References 41 publications

Boosting Rechargeable Batteries R&D by Multiscale Modeling: Myth or Reality?

Boosting Rechargeable Batteries R&D by Multiscale Modeling: Myth or Reality?

Mesoscale Effective Property Simulations Incorporating Conductive Binder

Insights Into Lithium-Ion Battery Degradation and Safety Mechanisms From Mesoscale Simulations Using Experimentally Reconstructed Mesostructures

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