One of the most exciting tools that have entered the material science toolbox in recent years is machine learning. This collection of statistical methods has already proved to be capable of considerably speeding up both fundamental and applied research. At present, we are witnessing an explosion of works that develop and apply machine learning to solid-state systems. We provide a comprehensive overview and analysis of the most recent research in this topic. As a starting point, we introduce machine learning principles, algorithms, descriptors, and databases in materials science. We continue with the description of different machine learning approaches for the discovery of stable materials and the prediction of their crystal structure. Then we discuss research in numerous quantitative structure–property relationships and various approaches for the replacement of first-principle methods by machine learning. We review how active learning and surrogate-based optimization can be applied to improve the rational design process and related examples of applications. Two major questions are always the interpretability of and the physical understanding gained from machine learning models. We consider therefore the different facets of interpretability and their importance in materials science. Finally, we propose solutions and future research paths for various challenges in computational materials science.

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Recent advances and applications of machine learning in solid-state materials science

Due to increasing concerns about global warming, greenhouse gas emissions, and the depletion of fossil fuels, the electric vehicles (EVs) receive massive popularity due to their performances and efficiencies in recent decades. EVs have already been widely accepted in the automotive industries considering the most promising replacements in reducing CO2 emissions and global environmental issues. Lithium-ion batteries have attained huge attention in EVs application due to their lucrative features such as lightweight, fast charging, high energy density, low self-discharge and long lifespan. This paper comprehensively reviews the lithium-ion battery state of charge (SOC) estimation and its management system towards the sustainable future EV applications. The significance of battery management system (BMS) employing lithium-ion batteries is presented, which can guarantee a reliable and safe operation and assess the battery SOC. The review identifies that the SOC is a crucial parameter as it signifies the remaining available energy in a battery that provides an idea about charging/discharging strategies and protect the battery from overcharging/over discharging. It is also observed that the SOC of the existing lithium-ion batteries have a good contribution to run the EVs safely and efficiently with their charging/discharging capabilities. However, they still have some challenges due to their complex electro-chemical reactions, performance degradation and lack of accuracy towards the enhancement of battery performance and life. The classification of the estimation methodologies to estimate SOC focusing with the estimation model/algorithm, benefits, drawbacks and estimation error are extensively reviewed. The review highlights many factors and challenges with possible recommendations for the development of BMS and estimation of SOC in next-generation EV applications. All the highlighted insights of this review will widen the increasing efforts towards the development of the advanced SOC estimation method and energy management system of lithium-ion battery for the future high-tech EV applications.

A review of lithium-ion battery state of charge estimation and management system in electric vehicle applications: Challenges and recommendations

Accurately predicting the lifetime of complex, nonlinear systems such as lithium-ion batteries is critical for accelerating technology development. However, diverse aging mechanisms, significant device variability and dynamic operating conditions have remained major challenges. We generate a comprehensive dataset consisting of 124 commercial lithium iron phosphate/graphite cells cycled under fast-charging conditions, with widely varying cycle lives ranging from 150 to 2,300 cycles. Using discharge voltage curves from early cycles yet to exhibit capacity degradation, we apply machine-learning tools to both predict and classify cells by cycle life. Our best models achieve 9.1% test error for quantitatively predicting cycle life using the first 100 cycles (exhibiting a median increase of 0.2% from initial capacity) and 4.9% test error using the first 5 cycles for classifying cycle life into two groups. This work highlights the promise of combining deliberate data generation with data-driven modelling to predict the behaviour of complex dynamical systems. Accurately predicting battery lifetime is difficult, and a prediction often cannot be made unless a battery has already degraded significantly. Here the authors report a machine-learning method to predict battery life before the onset of capacity degradation with high accuracy.

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Data-driven prediction of battery cycle life before capacity degradation

Critical review of the methods for monitoring of lithium-ion batteries in electric and hybrid vehicles

Materials discovery and design using machine learning

Experimental investigation of the lithium-ion battery impedance characteristic at various conditions and aging states and its influence on the application

Critical review of on-board capacity estimation techniques for lithium-ion batteries in electric and hybrid electric vehicles

Adaptive estimation of the electromotive force of the lithium-ion battery after current interruption for an accurate state-of-charge and capacity determination

On-line adaptive battery impedance parameter and state estimation considering physical principles in reduced order equivalent circuit battery models: Part 1. Requirements, critical review of methods and modeling

Wladislaw Waag

Papers

Critical review of the methods for monitoring of lithium-ion batteries in electric and hybrid vehicles

Experimental investigation of the lithium-ion battery impedance characteristic at various conditions and aging states and its influence on the application

Critical review of on-board capacity estimation techniques for lithium-ion batteries in electric and hybrid electric vehicles

Adaptive estimation of the electromotive force of the lithium-ion battery after current interruption for an accurate state-of-charge and capacity determination

On-line adaptive battery impedance parameter and state estimation considering physical principles in reduced order equivalent circuit battery models: Part 1. Requirements, critical review of methods and modeling