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Three electrodes coin cell assembly. This cell is made to validate the battery model. The reference electrode is used for measuring the electrode potentials. 

Three electrodes coin cell assembly. This cell is made to validate the battery model. The reference electrode is used for measuring the electrode potentials. 

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Battery design variable optimization can significantly affect battery capacity, discharge specific power, and discharge specific energy. However, many design variables need to be taken into consideration, which requires intensive computation and simulation. Our previously developed comprehensive battery degradation model is utilized in this optimiz...

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... validation.-We developed a three-electrode cell for model validation, as shown in Figure 3. The cell is made of graphite as the anode, LiMn 2 O 4 as the cathode, and lithium metal as the reference electrode. ...

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... The SEI layer grows as the reaction proceeds, which results in an electrical resistance proportional to its thickness [111,112,[126][127][128]. Liu et al. demonstrated that optimizing a Li-ion battery for power density can also reduce the SEI thickness [129]. SEI formation occurs at the particle level, so coupling with particle-scale models is expected. ...
Article
The increasing demand for batteries’ application in grid-balancing, electric vehicles, and portable electronics has prompted research efforts on improving their performance and safety features. The improvement of batteries involves the comparison of multiple battery designs and the determination of electrochemical and thermal property distributions at the continuum scale. This is achieved by using multiphysics modeling for investigatory battery research, as conventional experimental approaches would be costly and impractical. The fundamental electrochemical models for these batteries have been established, hence, new models are being developed for specific applications, such as thermal runaway and battery degradation in lithium-ion batteries, gas evolution in lead-acid batteries, and vanadium crossover in vanadium redox flow batteries. The inclusion of new concepts in multiphysics modeling, however, necessitates the consideration of phenomena beyond the continuum scale. This work presents a comprehensive review on the multiphysics models of lithium-ion, lead-acid, and vanadium redox flow batteries. The electrochemical models of these chemistries are discussed along with their physical interpretations and common applications. Modifications of these multiphysics models for adaptation and matching to end applications are outlined. Lastly, we comment on the direction of future work with regards to the interaction of multiphysics modeling with modeling techniques in other length and time scales. Molecular-scale models such as density functional theory and kinetic Monte Carlo can be used to create new multiphysics models and predict transport property correlations from first principles. Nanostructures and pore-level geometries can be optimized and integrated into continuum-scale models. The reduction of multiphysics models via machine learning, mathematical simplification, or regression enables their application in battery management systems and energy systems modeling.
... The objectives of the multi-disciplinary design optimization are to maximize specific energy and discharge specific power with minimized capacity loss [66]. The design variables like binder thickness, N/P ratio, thickness of electrodes, particle size and porosity can be optimized that significantly affects the battery performance [67]. The flowchart depicting the non-dominated sorting genetic algorithm (NSGA-II) is as shown in Fig. 4. ...
Article
Battery technology has been a hot spot for many researchers lately. Electrochemical researchers have been focusing on the synthesis and design of battery materials; researchers in the field of electronics have been studying the simulation and design of battery management system (BMS); whereas mechanical engineers have been dealing with structural safety and thermal management strategies for batteries. However, overcoming battery limitation in only one or two domains will not design an efficient battery pack as it requires an integrated framework. So far, there are few research studies that circumscribed all the multi-disciplinary aspects (cell material selection, cell-electrode design, cell clustering, state of health (SOH) estimation, thermal management, cell monitoring and recycling) simultaneously for battery packs in electric vehicles (EVs). This paper presents a holistic engineering design and simulation strategy for a future advanced battery pack and its parts by assimilating paradigmatic solutions for cell material selection, component design, cell clustering, thermal management, battery monitoring and recycling aspects of the battery and its components. The developed framework has been proposed based on DFT based cell material selection, topology design based cell-electrode design, machine learning (ML) based SOH estimation along with multi-disciplinary design optimization based liquid cooling system. The proposed framework also highlights the optimal configuration of cells using ML algorithms and multi-objective optimization of cell-assembly parameters. The role of digital twins for real-time and faster acquisition of data has been highlighted for the advanced and futuristic battery pack designs. Furthermore, preliminary investigation of robot assisted disassembly and recycling of battery packs has been summarized. Each proposed methodology has been discussed in detail, along with the advantages and limitations. Critical research orientations are also discussed in the end.
... L'intégration d'une batterie dans un véhicule électrique représente un défi considérable. Ainsi, l'optimisation du dimensionnement de la batterie consiste en une approche holistique multi-physique et multi-objectifs [93]. Les variables critiques à optimiser sont : ...
Thesis
Les batteries au lithium ion sont considérées comme un des vecteurs principaux de la transition énergétique. Elles sont dotées d’une importante densité d’énergie, combinée avec un faible effet de mémoire. Grâce à ces avantages, la technologie Li-ion est largement privilégiée pour des applications de stockage embarqué, notamment à bord des véhicules électriques. Cependant, l’intégration réussite des batteries Li-ion est confrontée à un défi majeur qui est le vieillissement de ces éléments. En effet, les performances de ces batteries se dégradent au fil du temps et d’usage. Ceci se traduit par la diminution de la quantité d’énergie et la perte de la puissance délivrée par la batterie. Dans ce cadre, deux objectifs principaux sont visés à travers ce travail. D’une part, l’étude expérimentale du comportement ainsi que du vieillissement des batteries Li-ion sous différentes conditions d’opération. Et d’autre part, l’élaboration d’une nouvelle approche pour l’estimation de l’état de santé des batteries. Ainsi, une intense activité de caractérisation est conduite après la prise en main d’un nouveau dispositif expérimental d’une échelle industrielle. Ensuite, la question de l’estimation du SoH est abordée. D’abord, une synthèse exhaustive des méthodes existantes est réalisée. Puis, deux solutions sont proposées afin de répondre au mieux aux exigences d’une application en ligne.La première campagne expérimentale a été menée pour étudier le comportement d’un paramètre clé des batteries qui est la tension en circuit ouvert. Ce dernier rentre en jeu lors de l’élaboration des modèles de simulation. Ainsi, deux technologies de batteries ont été testées à plusieurs niveaux de températures. Cette étude a permis d’apporter une nouvelle évaluation de l’impact des variations de l’OCV sous l’effet de la température sur le comportement des éléments du circuit équivalent de la batterie. La deuxième campagne expérimentale était consacrée à la mise en place du vieillissement accéléré des batteries. Le protocole des tests est élaboré en alternant des phases de sollicitions dynamiques émulant deux modes d’opération en véhicule tout électrique et hybride. Ensuite, un test de référence fut réalisé afin de mesurer les caractéristiques des batteries et ainsi quantifier leurs niveaux de dégradation.Une nouvelle méthode d’estimation de la dégradation est développée dans ce travail. Elle consiste en la combinaison d’un modèle de comportement sous forme de circuit équivalent et un modèle d’évolution de la dégradation qui est le processus de Wiener. Dans cette configuration, le premier modèle fourni au deuxième l’information sur l’état actuel des paramètres internes de la batterie. Ce dernier délivre une projection future de l’évolution de l’état de la batterie. Cette nouvelle combinaison permet de réaliser deux objectifs à la fois. D’abord, la RUL peut être prédite grâce à l’estimation de l’évolution de la dégradation qu’offre le processus de Wiener. Ce dernier a été toujours employé d’une façon hors ligne, où ses paramètres sont mis à jour en se basant sur une information qui n’est pas obtenue en temps réel. Grâce à la solution proposée, l’information sur la dégradation est acquise à travers le circuit équivalent pour mettre à jour le processus de Wiener en temps réel. Ceci est le deuxième objectif réalisé. En somme, les deux modèles se complètent pour tirer le maximum de profits de leurs propriétés respectives.Enfin, une amélioration des techniques d’apprentissage automatique pour l’estimation de la dégradation des batteries Li-ion est proposée. En particulier, l’attention a été protée aux caractéristiques qui représentent les signatures de la dégradation. D’abord, un grand nombre est extrait englobant pour la première fois toutes les caractéristiques citées en littérature dans un seul modèle d’estimation. Ensuite, nous avons intégré la méthode du « meilleur sous ensemble » pour tirer l’information la plus pertinente des caractéristiques.
... 为 10 A·m −2 时不同 De 体系恒电位沉积模拟 Fig.4 Potentiostatic simulations of cells with different De and the same i 0 of 10 A·m −2 (a)~(c)分别表示 i 0 为 10、200、1000 A·m −2 时的沉积形貌。当电极过电位较大时,exp(−Fη/RT) ≪ c s /c 0 ,fu,c ≈ c s max/c s min,由于操作电流远未达到 Imax 电解液中的离子浓度更加均匀,fu,c 与 fu,η均接近 1,晶核顶部与底部的沉积 速率接近, 图 5(a)即为这种情况。 而如果当电极电位接近平衡电极电位时, 此时 exp(−Fη/RT) ≈ c s /c 0 , 则 fu,c ≫ c s max/c s min,相比之下不均匀系数急剧增加,沉积形貌表现出针状生长,如图 5(c)所示。 图 5(d)展示了不同交换电流密度体系的不均匀系数, 虽然溶液中 Li + 浓度差异不大, 但更大的 i 0 使过电位接近 0, 会使 fu,c 增大,在这种情况下,仍会产生不均匀电流。图 5(e)包含不同 i 0 体系的极化曲线,可以看出,随着 i 0 的增 大,极化曲线整体向平衡电位方向移动, 沉积电流对反应条件更加敏感,从而形成枝晶形貌。据文献[34][35] 报道,Li + /Li 的交换电流密度为 5~10 A·m −2 ,这一数值与扩散系数(10 −12~1 0 −10 m 2 ·s −1 )[31][32][33] 相比不匹配,因而降低交换电流密度是 另一个提升锂沉积均匀性的方向。 图 5 De 为 10 −10 m 2 ·s -1 时不同 i 0 体系恒电流沉积模拟Fig.5 Galvanostatic simulations of cells with different i 0 and the same De of 10 10 m 2 ·s Factors in non-uniform current density 如图 7 所示,通过极化曲线能够对沉积形貌进行预测。传质与反应的相对关系对电解液中的浓度分布有很大影 响 [39] ,不发生浓差极化时,体系中锂离子浓度均匀,表现为均匀沉积,极化曲线可用于判断电极极化的状态。当处 于电化学极化状态时 dlgjc/dηc 为常数,而当发生浓差极化时,由于浓度项的变化使得 dlgjc/dηc 逐渐减小,体现在极 化曲线(lgjc-,ref ,cRed,cRed ,ref --分别为氧化态浓度、氧化态参比浓度、还原态浓度、还原态参比浓度,mol·m −3 ci,c s ,c 0 --分别为 i 离子的浓度、电极/电解质界面浓度、电解液中 Li + 初始浓度,mol·m −3 De,Di--分别为 Li + ,离子 i 在电解液中扩散系数,m 2 ·s −1 Eeq--反应平衡电极电位,V F--法拉第常数,C·mol −1 fu, c,fu, j,fu, η--分别为浓度、电流、过电位的不均匀系数 GR--化学反应生成 i 离子的速率,mol·m −3 ·s −1 i 0 --交换电流密度,A·m −2 iapp--操作电流密度,A·m −2 il--电解液电流密度(矢量) ,A·m −2 Jm ,i ,Jd ,i --分别为离子 i 迁移通量和扩散通量(矢量) ,mol·m ...
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Lithium is the most promising anode material for future lithium batteries due to its extremely high theoretical specific energy density. However, dendritic growth on strip edges during continuous lithium electroplating morphology remains a significant challenge for commercial use. Mechanism of dendrite propagation in lithium metal batteries (LMB) is still to be fundamentally described. Herein, we studied the effects of electrochemical parameters on the behavior of lithium plating at the electrode/electrolyte interface using a tertiary current model by finite-element methods. The results show that dendrite growth is intrinsically influenced by differences in concentration and potential. A higher diffusion coefficient (De) of Li ion in electrolyte is effective to improve uniformity of local concentration and a smaller exchange current density (i0) is essential for reducing sensitivity of interface reaction. Activation polarization is beneficial for uniform plating of lithium. Thus, the polarization curve is extremely important to determine whether lithium deposits uniformly or not. This work results in a new understanding of principles for dendrite growth, and is expected to lead to new insights on strategies for dendrite suppression.
... Research on multi-objective optimization methods that automate and simplify these processes as much as possible has also been conducted. [13][14][15][16] In these works, multiobjective optimization of battery design parameters was performed to target battery performance (such as energy density) and battery capacity deterioration. C. Liu et al. 13 obtained a Pareto solution for optimal conditions for battery performance and degradation. ...
... [13][14][15][16] In these works, multiobjective optimization of battery design parameters was performed to target battery performance (such as energy density) and battery capacity deterioration. C. Liu et al. 13 obtained a Pareto solution for optimal conditions for battery performance and degradation. Nevertheless, few of these works focused on optimization calculations from the safety perspective. ...
Article
Numerical physics-based models for Li-ion batteries under abuse conditions are useful in understanding failure mechanisms and deciding safety designs. Since battery design is generally required to decrease the failure risks while increasing the performance, multi-objective optimization methods are useful. Nevertheless, these usually require huge computational costs because these models targeting abuse battery conditions generally have many input physical parameters and computational costs for calculating one result are high. Therefore, we develop a framework for performing multi-objective optimization at a reasonable computational cost using machine learning methods. With this framework, an inverse analysis of optimal Li-ion battery design conditions, including safety conditions, is performed. Nail penetration simulations on different input conditions are performed so as to build a database for battery design conditions/test conditions (descriptors) and safety/performance (predictors). As a result of analyzing the relationship between descriptors and predictors, a high correlation between fire spread and negative electrode active material diameter is confirmed. Furthermore, a regression model to predict the database is created with a Gaussian process model. Using the model and a genetic algorithm, optimal design conditions are searched, and the design conditions that offer higher safety and better performance are identified under the assumed conditions. © 2020 The Electrochemical Society ("ECS"). Published on behalf of ECS by IOP Publishing Limited.
... In recent years, great efforts have been made in order to develop new battery electrochemistries and optimize design variables for increasing cell performance and reducing degradation. Different models as tools for battery design and optimization have been elaborated in the literature [3][4][5]. ...
... The funders had no role in the design of the study; in the collection, analyses, or interpretation of data; in the writing of the manuscript, or in the decision to publish the results. (4) 3.04 (8) 0.034 (5) 1.13 slag 10866 --238.9 -−10 6 metal 2.85 (4) 8.28 (8) 0.020 (5) 2.11 slag 12462 --217.1 -−11 6 metal <dl 10.32 (8) 0.026 (4) -2.01 slag 11242 --293.9 ...
... (4) 3.04 (8) 0.034 (5) 1.13 slag 10866 --238.9 -−10 6 metal 2.85 (4) 8.28 (8) 0.020 (5) 2.11 slag 12462 --217.1 -−11 6 metal <dl 10.32 (8) 0.026 (4) -2.01 slag 11242 --293.9 -* The values in brackets represent concentrations (x/8) above the detection limit. ...
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Recycling of metals from different waste streams must be increased in the near future for securing the availability of metals that are critical for high-tech applications, such as batteries for e-mobility. Black copper smelting is a flexible recycling route for many different types of scrap, including Waste Electrical and Electronic Equipment (WEEE) and some end-of-life energy storage materials. Fundamental thermodynamic data about the behavior of battery metals and the effect of slag additives is required for providing data necessary for process development, control, and optimization. The goal of our study is to investigate the suitability of black copper smelting process for recycling of battery metals lithium, cobalt, manganese, and lanthanum. The experiments were performed alumina crucibles at 1300 °C, in oxygen partial pressure range of 10−11‒10−8 atm. The slags studied contained 0 to 6 wt% of MgO. Electron probe microanalysis (EPMA) and laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS) techniques were utilized for phase composition quantifications. The results reveal that most cobalt can be recovered into the copper alloy in extremely reducing process conditions, whereas lithium, manganese, and lanthanum deport predominantly in the slag at all investigated oxygen partial pressures.
... A strong correlation between battery temperature and battery degradation is reported for battery performance in the literature [2][3][4][5][6][7]. Therefore, the research on battery degradation induced by temperature effects is a vital multidisciplinary field with research branches in battery temperature monitoring and regulation [3,4,8], battery performance prediction [9][10][11][12][13][14][15] and optimization [8,16,17], as well as battery system design [1,[18][19][20]. The shared aim is to decrease the impact of temperature-induced fault mechanisms and battery cell performance flaws within the associated battery system, while, as the applications demand, safety objectives and durability ambitions are met [17,21,22]. ...
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To draw reliable conclusions about the thermal characteristic of or a preferential cooling strategy for a lithium–ion battery, the correct set of thermal input parameters and a detailed battery layout is crucial. In our previous work, an electrochemical model for a commercially-available, 40 Ah prismatic lithium–ion battery was validated under heuristic temperature dependence. In this work the validated electrochemical model is coupled to a spatially resolved, three dimensional (3D), thermal model of the same battery to evaluate the thermal characteristics, i.e., thermal barriers and preferential heat rejection patterns, within common environment layouts. We discuss to which extent the knowledge of the batteries’ interior layout can be constructively used for the design of an exterior battery thermal management. It is found from the study results that: (1) Increasing the current rate without considering an increased heat removal flux at natural convection at higher temperatures will lead to increased model deviations; (2) Centralized fan air-cooling within a climate chamber in a multi cell test arrangement can lead to significantly different thermal characteristics at each battery cell; (3) Increasing the interfacial surface area, at which preferential battery interior and exterior heat rejection match, can significantly lower the temperature rise and inhomogeneity within the electrode stack and increase the batteries’ lifespan.
... Typically RuO 2 , NiO, TiO 2 , MnO 2 , Nb 2 O 5 , and V 2 O 5 electrodes have been used for supercapacitors, whereas LiMn 2 O 4 , LiCoO 2 , LiNiO 2 , LiFeO 2 , V 2 O 5 electrodes have been used as cathodes and C, Si and Li 4 Ti 5 O 12 /Li 2 TiO 3 have been used as anodes for Li-ion batteries. [7][8][9][10][11][12][13][14][15][16][17][18][19][20] Among these metal oxides, vanadium pentoxide (V 2 O 5 ) has been considered as a promising electrode material for energy storage applications, as the high oxidation state of vanadium offers the possibilities of storing more than one electron per formula unit, layered structure with weak van der Wall's forces for guest ion intercalation/de-intercalation, large potential window, high theoretical capacity, low cost and much abundance. [21][22][23] Moreover, vanadium oxide with multi-valence states can be used as an active material in multi-functional applications such as catalysis, bolometers, actuators, memory devices, optical switching devices, and electrochromic display devices. ...
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Nanocrystalline V2O5 thin films were prepared by radio frequency (RF) magnetron sputtering and explored as potential electrodes for Li-ion microbatteries and supercapacitors based on microstructure and electrochemical properties. All the films grown in the substrate temperature (Ts) range 250–350°C exhibited predominant (001) orientation corresponding to the orthorhombic V2O5 layered structure. However, notable changes were observed in the surface morphology and crystallite size of the grown films by varying the substrate temperature. The films deposited at Ts of 250°C showed uniformly distributed spherical grain morphology and demonstrated pseudocapacitive behavior with a specific capacitance of 960 mF cm⁻² at current density of 1 mA cm⁻² with good cycle stability. The films deposited at Ts of 350°C showed needle like nanorod structure with an average crystallite size of 36 nm. These films exhibited sharp oxidation and reduction peaks, exhibiting cathodic behavior with a discharge capacity of 62.6 μAh cm⁻² μm⁻¹ at a current rate of 50 μA. Graphic Abstract Open image in new window
... The operating conditions, such as environment temperature, applied current, state of charge (SoC), and mechanical stress within the battery design induce component degradation and can individually or in combination with each other influence the lifetime performance of the battery [3][4][5][6]. Hence, the classification, prediction, and minimization of these stress factors have emerged as important but challenging topics in the field of battery research [7][8][9][10][11]. ...
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The key challenge in developing a physico-chemical model is the model parameterization. The paper presents a strategic model parameterization procedure, parameter values, and a developed model that allows simulating electrochemical and thermal behavior of a commercial lithium-ion battery with high accuracy. Steps taken are the analysis of geometry details by opening a battery cell under argon atmosphere, building upon reference data of similar material compositions, incorporating cell balancing by a quasi-open-circuit-voltage experiment, and adapting the battery models reaction kinetics behavior by comparing experiment and simulation of an electrochemical impedance spectroscopy and hybrid pulse power characterization. The electrochemical-thermal coupled model is established based on COMSOL Multiphysics ® platform (Stockholm, Sweden) and validated via experimental methods. The parameterized model was adopted to analyze the heat dissipation sources based on the internal states of the battery at different operation modes. Simulation in the field of thermal management for lithium-ion batteries highly depends on state of charge-related thermal issues of the incorporated cell composition. The electrode balancing is an essential step to be performed in order to address the internal battery states realistically. The individual contribution of the cell components heat dissipation has significant influence on the temperature distribution pattern based on the kinetic and thermodynamic properties.
... This neglect of the low-frequency diffusion is popular in EIS analysis in the field of LIBs [13][14][15][16][17][18][19][20][21][22][23][24][25][26]. However, studies on electrode-structure optimization show that diffusion is key to the battery performance [42][43][44]. Indeed, there are a few works that have recognized the importance of lowfrequency diffusion to the impedance rise during battery aging [29][30][31]. ...