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Item AQUEOUS LIQUID SOLUTIONS FOR LI-LIQUID BATTERY(Office of the Vice Chancellor for Research, 2012-04-13) Salim, Jason; Cheah, Seong Shen; Lee, Wen Chao; Mahootcheian Asl, Nina; Chen, Rongrong; Kim, YoungsikThe evolvement of Lithium-ion battery industries has begun to carry the industries to step in a new revolution. Consequently, high demand in high energy density batteries in many electronic and electrical appliances, espe-cially energy storage industries been emerged. This new type of batteries has been in extensive research, such as lithium-water battery. Lithium-water battery is a newly developed battery with lithium as the anode and water as the cathode. Lithium is known as one of the most reac-tive metals in periodic table. Therefore, rigorous reaction will be observed when lithium is reacted with water and hence potentially providing an ex-tremely high energy density. This rigorous reaction can be converted into electrical energy and can be stored in a cell. Lithium-water battery is novel and hence, there is no standardized design. In this presentation, lithium anode is separated from water by liquid electrolyte and a ceramic solid electrolyte. The glass-ceramic solid electro-lyte which has Li1.3Ti1.7Al0.3(PO4)3 composition plays an important role of the design of this lithium–water battery. The main purpose of the solid electro-lyte is to separate water from lithium, avoiding a dangerous exothermic re-action. Also, the presence of the super-ionic conductor ceramic can provide very high lithium ion conductivity. The different sizes of solid electrolytes were used in designing Li-liquid battery cell. The effect of the electrolyte size on the voltage of the cell was studied to optimize the cell design. Then, the aqueous solutions containing different chemicals were tested as the liquid cathodes, and their electro-chemical performance were compared to those of the pure DI water. Further results will be presented in the poster presentation.Item Gaussian process-based prognostics of lithium-ion batteries and design optimization of cathode active materials(Elsevier, 2022-04-30) Valladares, Homero; Li , Tianyi; Zhu, Likun; El-Mounayri, Hazim; Hashem, Ahmed M.; Abdel-Ghany, Ashraf E.; Tovar, Andres; Mechanical and Energy Engineering, School of Engineering and TechnologyThe increasing adoption of lithium-ion batteries (LIBs) in consumer electronics, electric vehicles, and smart grids poses two challenges: the accurate prediction of the battery health to prevent operational impairments and the development of new materials for high-performance LIBs. Characterized by their flexibility and mathematical tractability, Gaussian processes (GPs) provide a powerful framework for monitoring and optimization tasks. This study employs two GP-based techniques: co-kriging surrogate modelling and Bayesian optimization. The GP training data comes from the cycling performance test of five CR2032 cells with Ni contents of 0.0, 0.4, 0.5, 0.6, and 1.0 in their cathode active material Li2NixMn2-xO4. The co-kriging surrogate predicts the capacity degradation profile of a cell by exploiting information from different cells. Bayesian optimization identifies new Ni compositions that can produce cells with high initial specific capacity and large cycle life. The study shows the predictive capabilities of the co-kriging surrogate when correlated data is available. Bayesian optimization predicts that a Ni content of 0.44 produces cells with an initial specific capacity of 103.4 ± 3.8 mAh g−1 and a cycle life of 595 ± 12 cycles. Furthermore, the Bayesian strategy identifies other Ni contents that can improve the overall quality of the current Pareto front.Item Physics-Based Modelling and Simulation Framework for Multi-Objective Optimization of Lithium-Ion Cells in Electric Vehicle Applications(2022-05) Gaonkar, Ashwin; El-Mounayri, Hazim; Tovar, Andres; Zhu, Likun; Shin, HosopIn the last years, lithium-ion batteries (LIBs) have become the most important energy storage system for consumer electronics, electric vehicles, and smart grids. The development of lithium-ion batteries (LIBs) based on current practice allows an energy density increase estimated at 10% per year. However, the required power for portable electronic devices is predicted to increase at a much faster rate, namely 20% per year. Similarly, the global electric vehicle battery capacity is expected to increase from around 170 GWh per year today to 1.5 TWh per year in 2030--this is an increase of 125% per year. Without a breakthrough in battery design technology, it will be difficult to keep up with the increasing energy demand. To that end, a design methodology to accelerate the LIB development is needed. This can be achieved through the integration of electro-chemical numerical simulations and machine learning algorithms. To help this cause, this study develops a design methodology and framework using Simcenter Battery Design Studio® (BDS) and Bayesian optimization for design and optimization of cylindrical cell type 18650. The materials of the cathode are Nickel-Cobalt-Aluminum (NCA)/Nickel-Manganese-Cobalt-Aluminum (NMCA), anode is graphite, and electrolyte is Lithium hexafluorophosphate (LiPF6). Bayesian optimization has emerged as a powerful gradient-free optimization methodology to solve optimization problems that involve the evaluation of expensive black-box functions. The black-box functions are simulations of the cyclic performance test in Simcenter Battery Design Studio. The physics model used for this study is based on full system model described by Fuller and Newman. It uses Butler-Volmer Equation for ion-transportation across an interface and solvent diffusion model (Ploehn Model) for Aging of Lithium-Ion Battery Cells. The BDS model considers effects of SEI, cell electrode and microstructure dimensions, and charge-discharge rates to simulate battery degradation. Two objectives are optimized: maximization of the specific energy and minimization of the capacity fade. We perform global sensitivity analysis and see that thickness and porosity of the coating of the LIB electrodes that affect the objective functions the most. As such the design variables selected for this study are thickness and porosity of the electrodes. The thickness is restricted to vary from 22microns to 240microns and the porosity varies from 0.22 to 0.54. Two case studies are carried out using the above-mentioned objective functions and parameters. In the first study, cycling tests of 18650 NCA cathode Li-ion cells are simulated. The cells are charged and discharged using a constant 0.2C rate for 500 cycles. In the second case study a cathode active material more relevant to the electric vehicle industry, Nickel-Manganese-Cobalt-Aluminum (NMCA), is used. Here, the cells are cycled for 5 different charge-discharge scenarios to replicate charge-discharge scenario that an EVs battery module experiences. The results show that the design and optimization methodology can identify cells to satisfy the design objective that extend and improve the pareto front outside the original sampling plan for several practical charge-discharge scenarios which maximize energy density and minimize capacity fade.