2016
DOI: 10.1007/s00466-016-1325-8
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Computational modeling of Li-ion batteries

Abstract: 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. Batt… Show more

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Cited by 67 publications
(49 citation statements)
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References 276 publications
(418 reference statements)
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“…The total overpotential is induced by various processes occurring in a battery, such as the charge-transfer reactions at the electrode/electrolyte interfaces ( ) [64], the diffusion and migration of Li-ions across the electrolyte ( ) [65], diffusion and migration of Li-ions in the electrodes ( ) [66] and Ohmic losses ( ) [67]. Therefore, the total battery overpotential can also be expressed as…”
Section: Heat Generationmentioning
confidence: 99%
“…The total overpotential is induced by various processes occurring in a battery, such as the charge-transfer reactions at the electrode/electrolyte interfaces ( ) [64], the diffusion and migration of Li-ions across the electrolyte ( ) [65], diffusion and migration of Li-ions in the electrodes ( ) [66] and Ohmic losses ( ) [67]. Therefore, the total battery overpotential can also be expressed as…”
Section: Heat Generationmentioning
confidence: 99%
“…Even when the deformation of cathode materials is small, e.g. LiCoO 2 , LiMn 2 O 3 and LiFePO 4 , the cyclic lithiation and delithiation of active particles leads to cracks and loss of contact with the matrix, which gradually results in a capacity loss and eventually failure of the battery [17,18]. Hence, to design a longer lifetime and higher energy density batteries, simulation of coupled diffusion-mechanics is of primary importance [19,20].…”
Section: Introductionmentioning
confidence: 99%
“…Most of the work done in the literature on the simulation of coupled diffusionmechanics in batteries is based on the pioneering works of LarchĂ© and Cahn [21], in which a framework for solid-state diffusion was developed for compositional changes in the solid state [5]. In general, due to its multiphysics and multiscale nature, the simulation of lithium ion batteries is a challenging task [17]. Analytical methods for the solution of coupled diffusion-mechanics problems are limited to simple geometrical shapes [22], therefore approximate solutions using numerical techniques such as finite elements are often required [17].…”
Section: Introductionmentioning
confidence: 99%
“…Sheikhan et al [10] used an artificial neural network to realize feedback correction of the traditional time-integration method: Considering the aging effect of power battery, they used an optimized multi-layer structure perceptron and radial basis function (RBF) neural network as corrective measures of the coulomb counting method to achieve accurate estimation of SOC. Wei et al [11] used the neural network model to estimate SOC and improved the estimation accuracy through the Kalman filter.The model-based SOC estimation method is the most popular method in recent years [12]. It can be divided into two categories: Electrochemical and equivalent circuit.The advantage of the electrochemical model is that it can reflect the internal mechanism of the battery.…”
mentioning
confidence: 99%
“…The model-based SOC estimation method is the most popular method in recent years [12]. It can be divided into two categories: Electrochemical and equivalent circuit.…”
mentioning
confidence: 99%