SIERRA Multimechanics Module: Aria User Manual – Version 4.40

Notz, Patrick; Subia, Samuel R.; Hopkins, Matthew M.; Moffat, Harry K.; Noble, David R.; Okusanya, Tolulope O.

doi:10.2172/1262728

Cited by 7 publications

(7 citation statements)

References 0 publications

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“…The mathematical model was applied to our reconstructed domain and solved using Sierra Multi-Mechanics Module Aria. 31 This process of reconstruction, surface meshing, and CDFEM are described in detail by Roberts et al 32 and was recently used by Mendoza et al 29 Binder was represented in this reconstructed geometry by retracting the LiCoO 2 particle surface slightly and replacing that retracted region with a separate binder phase as shown in Figure 14a. This method created a uniform coating of binder on the outside of all particlesa morphology proposed and used by several other researchers.…”

Section: Mechanical Cycling Of Lithium Cobalt Oxide Cathodesmentioning

confidence: 99%

Conductivity Degradation of Polyvinylidene Fluoride Composite Binder during Cycling: Measurements and Simulations for Lithium-Ion Batteries

Grillet

Humplik

Stirrup

et al. 2016

J. Electrochem. Soc.

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The polymer-composite binder used in lithium-ion battery electrodes must both hold the electrodes together and augment their electrical conductivity while subjected to mechanical stresses caused by active material volume changes due to lithiation and delithiation. We have discovered that cyclic mechanical stresses cause significant degradation in the binder electrical conductivity. After just 160 mechanical cycles, the conductivity of polyvinylidene fluoride (PVDF):carbon black binder dropped between 45-75%. This degradation in binder conductivity has been shown to be quite general, occurring over a range of carbon black concentrations, with and without absorbed electrolyte solvent and for different polymer manufacturers. Mechanical cycling of lithium cobalt oxide (LiCoO 2 ) cathodes caused a similar degradation, reducing the effective electrical conductivity by 30-40%. Mesoscale simulations on a reconstructed experimental cathode geometry predicted the binder conductivity degradation will have a proportional impact on cathode electrical conductivity, in qualitative agreement with the experimental measurements. Finally, ohmic resistance measurements were made on complete batteries. Direct comparisons between electrochemical cycling and mechanical cycling show consistent trends in the conductivity decline. This evidence supports a new mechanism for performance decline of rechargeable lithium-ion batteries during operation -electrochemically-induced mechanical stresses that degrade binder conductivity, increasing the internal resistance of the battery with cycling. Lithium-ion batteries (LIB) are an enabling energy storage technology for portable consumer electronics, electric vehicles and renewable power generation in part due to their high energy densities. The energy density is driven by not only the relatively large potential of lithium-ion chemistries, but also the ability of active materials to store large amounts of lithium.1 The most common graphitic carbon anode can absorb up to one lithium for every carbon atom. Recent research on higher capacity anodes such as silicon has highlighted an increased need for understanding the mechanics of lithium-ion batteries. As the lithium is shuttled between the anode and cathode, the active materials expand and contract to accommodate the lithium. The resulting volume changes are accentuated for high capacity materials such as silicon which can increase in volume by up to 400% during lithiation. 2Because most LIB electrodes are porous multicomponent composites, understanding the generation and impact of mechanical stresses on batteries can be difficult. The electrode is generally 50-75 vol% solid fraction with active material consisting of micron-sized particles held together by an active binder, which is itself a composite of conductive carbon particles and polymer. The performance of the battery is highly dependent on this complex structure which must allow efficient ion and electron transport through the electrode. The void space in the porous structure allows lith...

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Section: Mechanical Cycling Of Lithium Cobalt Oxide Cathodesmentioning

confidence: 99%

Conductivity Degradation of Polyvinylidene Fluoride Composite Binder during Cycling: Measurements and Simulations for Lithium-Ion Batteries

Grillet

Humplik

Stirrup

et al. 2016

J. Electrochem. Soc.

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“…The mathematical model in Sec. 2 is solved on the reconstruction-based computational mesh using the Galerkin finite-element method (FEM), implemented in SIERRA/Aria [57]. The numerical model is solved on this conformal, tetrahedral element mesh using linear (Q1) basis functions.…”

Section: Methodsmentioning

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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“…Assuming quasi-static loading conditions, the point-wise equilibrium equation is expressed in the current configuration at t ∈ [t i , t i+1 ) as divT t j ;t + ρb = 0 for all R t j ;t ⊂ R t , (21) subject to boundary conditions…”

Section: Balance Lawsmentioning

confidence: 99%

“…4. This mesh motion implementation closely resembles procedures commonly used in production codes, e.g., [21]. The mesh optimization strategy does not constrain element edges to align with prior growth interfaces, thus allowing the element size and shape to be independent of the growth/resorption rate and time increment between spurts.…”

Section: Discretization Of Surface Growth and Resorptionmentioning

confidence: 99%

A finite element method for modeling surface growth and resorption of deformable solids

Bergel

Papadopoulos

2021

Comput Mech

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This work explores a continuum-mechanical model for a body simultaneously undergoing finite deformation and surface growth/resorption. This is accomplished by defining the kinematics as well as the set of material points that constitute the domain of a physical body at a given time in terms of an evolving reference configuration. The implications of spatial and temporal discretization are discussed, and an extension of the Arbitrary Lagrangian–Eulerian finite element method is proposed to enforce the resulting balance laws on the grown/resorbed body in two spatial dimensions. Representative numerical examples are presented to highlight the predictive capabilities of the model and the numerical properties of the proposed solution method.

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SIERRA Multimechanics Module: Aria User Manual – Version 4.40

Cited by 7 publications

References 0 publications

Conductivity Degradation of Polyvinylidene Fluoride Composite Binder during Cycling: Measurements and Simulations for Lithium-Ion Batteries

Conductivity Degradation of Polyvinylidene Fluoride Composite Binder during Cycling: Measurements and Simulations for Lithium-Ion Batteries

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

A finite element method for modeling surface growth and resorption of deformable solids

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