Cohesive modeling of crack nucleation under diffusion induced stresses in a thin strip: Implications on the critical size for flaw tolerant battery electrodes

Bhandakkar, Tanmay K.; Gao, Huajian

doi:10.1016/j.ijsolstr.2010.02.001

Cited by 180 publications

(108 citation statements)

References 41 publications

(65 reference statements)

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“…In parallel to these experiments, models of different length scales have been established, ranging from first-principles simulations, [25][26][27][28][29][30][31][32][33][34][35][36] molecular dynamics with empirical force fields on the atomic scale, [37][38][39][40][41][42] continuum-level simulations that couple field equations dictating Li transport and mechanical equilibrium. 9,12,[43][44][45][46][47][48][49][50][51][52][53][54][55] Together, this has opened a bottom-up avenue for developing high-performance LIBs, in contrast to the top-down approach adopted by the conventional battery development.…”

Section: Introductionmentioning

confidence: 99%

Chemomechanical modeling of lithiation-induced failure in high-volume-change electrode materials for lithium ion batteries

Zhang

2017

npj Comput Mater

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The rapidly increasing demand for efficient energy storage systems in the last two decades has stimulated enormous efforts to the development of high-capacity, high-power, durable lithium ion batteries. Inherent to the high-capacity electrode materials is material degradation and failure due to the large volumetric changes during the electrochemical cycling, causing fast capacity decay and low cycle life. This review surveys recent progress in continuum-level computational modeling of the degradation mechanisms of high-capacity anode materials for lithium-ion batteries. Using silicon (Si) as an example, we highlight the strong coupling between electrochemical kinetics and mechanical stress in the degradation process. We show that the coupling phenomena can be tailored through a set of materials design strategies, including surface coating and porosity, presenting effective methods to mitigate the degradation. Validated by the experimental data, the modeling results lay down a foundation for engineering, diagnosis, and optimization of high-performance lithium ion batteries.

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Section: Introductionmentioning

confidence: 99%

Chemomechanical modeling of lithiation-induced failure in high-volume-change electrode materials for lithium ion batteries

Zhang

2017

npj Comput Mater

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“…[8][9][10][11][12][13][14] Christensen and Newman 8 considered the effect of pressure-driven diffusion and nonideal interactions between lithium and host material. Cheng and Verbrugge [10][11][12] took the analogy with thermallyinduced stresses and obtained analytical solutions for a range of nanoparticle shapes.…”

Section: Introductionmentioning

confidence: 99%

Strong stress-enhanced diffusion in amorphous lithium alloy nanowire electrodes

Gao¹,

Zhou²

2011

Journal of Applied Physics

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Diffusion-induced stress (DIS) development and stress-enhanced diffusion (SED) in amorphous lithium alloy nanowire battery electrodes are investigated using a finite deformation model, accounting for full two-way coupling between diffusion and stress evolution. Analytical solutions are derived using a perturbation method. The analyses reveal significant contributions to the driving force for diffusion by stress gradient, an effect much stronger than those seen in cathode lattices but so far has been neglected for alloy-based anodes. The contribution of stress to diffusion is small at low lithium concentrations, this lack of SED leads to significantly higher DIS levels in early stages of a charging cycle. As lithium concentration increases, SED becomes more pronounced, leading to lower DIS levels. The long-term DIS level in the material scales with charging rate, nanowire radius, and the mobility of Li ions as modulated by the effect of stress. The solutions obtained provide guidance for lowering stresses during charging. In particular, lower charging rates should be used during the initial stages of charging cycles.

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“…39 The effects of particle size and rate of lithiation-delithiation in silicon were appropriately captured. A similar governing equation that is capable of predicting the phase separation and diffusion within Si active particles has been adopted in the present study.Several computational studies have been conducted to investigate the large volume expansion and subsequent stress generation within Si anodes during the lithiation process (see 38,42,45 Journal of The Electrochemical Society, 163 (6) A1120-A1137 (2016) A1121 and nanowires, possibility of pre-existing cracks to propagate during the lithiation-delithiation process has been studied (see 46,47 ). The effect of surface energy in nano-sized Si particles and wires to eliminate the microcrack formation has also been investigated.…”

mentioning

confidence: 99%

“…In silicon thin films A1121 and nanowires, possibility of pre-existing cracks to propagate during the lithiation-delithiation process has been studied (see 46,47 ). The effect of surface energy in nano-sized Si particles and wires to eliminate the microcrack formation has also been investigated.…”

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confidence: 99%

Mechano-Electrochemical Stochastics in High-Capacity Electrodes for Energy Storage

Barai

Mukherjee

2016

J. Electrochem. Soc.

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High-capacity anode materials (such as, silicon) are of critical importance for lithium-ion batteries aimed at achieving longer drive range for electric vehicles. Large lithium retention in these alloying materials is, however, accompanied by high volume expansion, which results in severe mechanical degradation and capacity decay. The inherently coupled mechano-electrochemical stochastics is elucidated in this work. A stochastic computational methodology has been developed to capture the large deformation and mechanical degradation in high-capacity anode materials. Lithiation and delithiation in such active particles follow a two-phase diffusive interface formation and propagation. Mechano-electrochemical interactions lead to different tensile forces acting on the active particle that may lead to microcrack formation. In this study, we have demonstrated that: (a) concentration gradient induced stress at the two-phase interface does not lead to severe mechanical degradation; and (b) large volume expansion induced tensile force at the particle surface actually gives rise to multiple spanning crack formation and further propagation during delithiation. Anode materials with higher partial molar volume of the lithiated phase can lead to enhanced mechanical degradation. Functionally graded materials, with reduced elastic modulus near the surface, hold potential for significant reduction in crack formation. Lithium-ion batteries (LIBs) are poised to play a major role in the advancement toward wide-spread vehicle electrification.1-3 Significant effort is being invested to make use of lithium ion chemistry in commercial aircrafts (see 4,5 ) as well as large-scale grid energy storage systems (see 6,7 ). Increasing the specific energy of both cathode (see 8,9 ) and anode (see 10,11 ) electrode active material will effectively result in enhanced energy density of the LIB. Commercial batteries use lithium cobalt oxide (LiCoO 2 ) or nickel-manganese-cobalt (LiNi 1/3 Mn 1/3 Co 1/3 O 2 ) as the cathode material, which shows around 170mAh/g as the effective specific energy.12 Graphite is used regularly as anode active material within commercial batteries, which shows a maximum of 372mAh/g specific capacity. 12Next generation lithium ion batteries are supposed to use high capacity cathode as well as anode materials.11 Layered-layered composite cathode structures, represented as xLi 2 MnO 3 · (1-x)LiMO 2 (M = Mn, Ni, Co), has received attention due to high rechargeable capacity of 250mAh/g when cycled between 4.6 V and 2.0 V (see [13][14][15] ). Gas generation due to oxygen release is one of the major modes of degradation in these composite cathode materials. These high-capacity layered composite cathodes do not experience severe volume expansion during lithiation process. 16 High capacity anode materials can show almost ten times higher theoretical specific energy than graphite (such as, silicon (Si), tin (Sn) and germanium (Ge)) (see [17][18][19][20] ). The theoretical capacity of silicon is 4200mAh/g and the same for tin is 994...

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Cohesive modeling of crack nucleation under diffusion induced stresses in a thin strip: Implications on the critical size for flaw tolerant battery electrodes

Cited by 180 publications

References 41 publications

Chemomechanical modeling of lithiation-induced failure in high-volume-change electrode materials for lithium ion batteries

Chemomechanical modeling of lithiation-induced failure in high-volume-change electrode materials for lithium ion batteries

Strong stress-enhanced diffusion in amorphous lithium alloy nanowire electrodes

Mechano-Electrochemical Stochastics in High-Capacity Electrodes for Energy Storage

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