BRIGE: Understanding Multiphase Architecture in Li-ion Batteries through Multiscale Modeling

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ECCS-1125588PI: FuqiangLiuInstitution: University of Texas at ArlingtonTitle: BRIGE: Understanding Multiphase Architecture in Li-ion Batteries through Multiscale ModelingABSTRACTIntellectual Merit: The research objective of this BRIGE project is to explore the multiphase architecture of Li-ion battery electrodes through an integrated multiscale modeling approach. Such studies will reveal limitation of the electrode transport processes in greater details and thus provide strategies on how to improve the sluggish species transport and therefore battery capacity. In pursue of the goals, the planned research activities include: (1) developing a 3D multiscale model of transport, electrochemical reaction, and phase transformation in Li-ion electrode materials. The single-cell continuum convection-diffusion model, stochastic microstructure reconstruction, structure-level statistical analysis, single particle phase transformation, and experimental validation will be coupled together; and (2) predicting electrochemical behavior of numerically reconstructed electrodes and validating the model with ex situ and in situ experiments. The validated multiscale model will be applied to in-depth exploration and quantification of the battery electrode architectures reconstructed from SEM/TEM images. Broader Impacts: The planed research will provide a heretofore inaccessible, microscopic insight to the multiphase architectures of Li-ion battery electrodes. Results of this work will result in a significant leap in further development of novel structures and processes for efficient energy storage. The proposed research efforts are integrated with education activities, which target both graduate and undergraduate students, but also high school students as well as minority and underrepresented groups (female, African American, Hispanic and disabled). Hispanic students, which are the fastest growing student segment at the University of Texas at Arlington, will be recruited to attend summer programs, and the PI will mentor them for academic careers in the field of engineering and energy. A suite of interactive numerical models for use in a variety of courses will be created. A combined effort of an interactive virtual nano-energy simulation database and experimental demonstration library will be set up to showcase the research and fully immerse students in the discovery process that defines science and engineering. An interactive summer camp on Electrochemical Energy for K-12 students, in conjunction with the Web-based virtual laboratory, will be developed to raise students awareness in the area of energy storage and to keep them motivated in engineering.