Study on microstructures of electrodes in lithium-ion batteries using variational multi-scale enrichment

Lee, S.; Sastry, Ann Marie; Park, Jong‐Hyun

doi:10.1016/j.jpowsour.2016.02.086

Cited by 25 publications

(33 citation statements)

References 45 publications

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“…Lee et al [269] adapted the variational multi-scale principle to a Li-ion battery system, in order to improve the predictions of battery performance by including multiphysics phenomena among the particle aggregates in the electrode. The role of the microstructure was highlighted, in terms of particle shape, tortuosity, and material composition.…”

Section: Ferguson and Bazantmentioning

confidence: 99%

Computational modeling of Li-ion batteries

2016

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This review focuses on energy storage materials modeling, with particular emphasis on Li-ion batteries. Theoretical and computational analyses not only provide a better understanding of the intimate behavior of actual batteries under operational and extreme conditions, but they may tailor new materials and shape new architectures in a complementary way to experimental approaches. Modeling can therefore play a very valuable role in the design and lifetime prediction of energy storage materials and devices. Batteries are inherently multi-scale, in space and time. The macro-structural characteristic lengths (the thickness of a single cell, for instance) are order of magnitudes larger than the particles that form the microstructure of the porous electrodes, which in turn are scale-separated from interface layers at which atomistic intercalations occur. Multi-physics modeling concepts, methodologies, and simulations at different scales, as well as scale transition strategies proposed in the recent literature are here revised. Finally, computational challenges toward the next generation of Li-ion batteries are discussed.

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Section: Ferguson and Bazantmentioning

confidence: 99%

Computational modeling of Li-ion batteries

2016

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“…There are also earlier pioneering efforts. For instance, Park and co‐workers developed a model to include multiscale and multiphysics phenomena in composite electrode . The developed model has revealed complicated dynamic electrochemical behaviors related to the variation of particle shape, tortuosity, material composition, etc.…”

Section: Discussionmentioning

confidence: 99%

Strategies for Building Robust Traffic Networks in Advanced Energy Storage Devices: A Focus on Composite Electrodes

Wang

Min

et al. 2018

Advanced Materials

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portable electronics, cell phones, electrical vehicles (EVs), aerospace, etc. For advanced batteries, higher and higher energy density and/or power density, long cycling stability, good device safety, and low-cost are the primary goals. Since the energy density is mainly dependent on the specific capacity and loading level of active materials (AMs), AMs usually dominate the volume and weight inside the batteries. Because of this, tremendous efforts have been focused on high-performance AMs. However, the electrochemical performance of energy storage devices (ESDs) is fundamentally determined by a collective contribution or teamwork of all the components: AMs, electrolyte, separator, conductive agent, binders, etc. More importantly, with the increasing interests on high-capacity AMs (e.g., silicon, sulfur, Li-rich cathode, etc.), it becomes very clear that the "traffic system" (i.e., the charge transport system) plays very critical roles in the performance of the high-capacity AMs. Take silicon anode for example, a durable and flexible conductive network inside the electrode composite has been vital for addressing the big volume change issue. In this case, high-performance binders and conductive agent that can generate advanced conductive network are the keys. [2] In addition, with the increasing interests on EVs and flexible electronics, building a powerful and robust charge transport system inside ESDs is an urgent and critical task to support fast charging/ discharging capability and even flexibility of ESDs. In short, with the fast development of energy storage technologies, EVs, cell phones, etc., there is a critical, urgent, and challenging task on building powerful and durable charge transport system in next-generation advanced ESDs. Charge Transport Inside ESDsThe thriving of big cities highly relies on a powerful traffic system that transports the people, foods, products, etc. Similar to this picture, ESDs are powered by the transportation of charges, including both ions and electrons. As illustrated in Figure 1a, one can analogize the charge transport system and AMs in the electrodes of ESDs to the traffic system and buildings (i.e., host system of people), respectively. This analogy example not only help to explain the relationship between The charge transport system in an energy storage device (ESD) fundamentally controls the electrochemical performance and device safety. As the skeleton of the charge transport system, the "traffic" networks connecting the active materials are primary structural factors controlling the transport of ions/electrons. However, with the development of ESDs, it becomes very critical but challenging to build traffic networks with rational structures and mechanical robustness, which can support high energy density, fast charging and discharging capability, cycle stability, safety, and even device flexibility. This is especially true for ESDs with high-capacity active materials (e.g., sulfur and silicon), which show notable volume change during cycling. Therefore, there is an ur...

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“…Bower et al [55] formulated a continuum electro-chemo-mechanical half-cell model in the large deformation framework with 330 plastic ow. Furthermore, there are multi-scale approaches of lithium-ion ba ery cells, where the particles embedded in the polymer binders are modeled at the micro-scale [56,57]. For a fair representation of geometric irregularity, Lee et al [57]…”

Section: Sian B-spline Meshesmentioning

confidence: 99%

Variational boundary conditions based on the Nitsche method for fitted and unfitted isogeometric discretizations of the mechanically coupled Cahn–Hilliard equation

Zhao

Schillinger

2017

Journal of Computational Physics

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e primal variational formulation of the fourth-order Cahn-Hilliard equation requires C 1continuous nite element discretizations, e.g., in the context of isogeometric analysis. In this paper, we explore the variational imposition of essential boundary conditions that arise from the thermodynamic derivation of the Cahn-Hilliard equation in primal variables. Our formulation is based on the symmetric variant of Nitsche's method, does not introduce additional degrees of freedom and is shown to be variationally consistent. In contrast to strong enforcement, the new boundary condition formulation can be naturally applied to any mapped isogeometric parametrization of any polynomial degree. In addition, it preserves full accuracy, including higher-order rates of convergence, which we illustrate for boundary-ed discretizations of several benchmark tests in one, two and three dimensions. Un ed Cartesian B-spline meshes constitute an e ective alternative to boundary-ed isogeometric parametrizations for constructing C 1 -continuous discretizations, in particular for complex geometries. We combine our variational boundary condition formulation with un ed Cartesian B-spline meshes and the nite cell method to simulate chemical phase segregation in a composite electrode. is example, involving coupling of chemical elds with mechanical stresses on complex domains and coupling of di erent materials across complex interfaces, demonstrates the exibility of variational boundary conditions in the context of higher-order un ed isogeometric discretizations.

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Study on microstructures of electrodes in lithium-ion batteries using variational multi-scale enrichment

Cited by 25 publications

References 45 publications

Computational modeling of Li-ion batteries

Computational modeling of Li-ion batteries

Strategies for Building Robust Traffic Networks in Advanced Energy Storage Devices: A Focus on Composite Electrodes

Variational boundary conditions based on the Nitsche method for fitted and unfitted isogeometric discretizations of the mechanically coupled Cahn–Hilliard equation

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