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Lithium Sulfur Battery Modeling
Thermo-electrochemical Modeling of LiFePO4 Battery Pack

Materials Simulation

Battery safety becomes significant concern recently due to various accidents. The burning or explosion of batteries is usually induced by heat accumulation and ultimately thermal runaway. Coupled model framework considering energy balance, mass balance and electrochemical reaction kinetics are developed to simulate discharge behavior and temperature distribution of LFP batteries and battery packs.

Lithium sulfur battery is considered as next generation battery for portable applications. However, the technology faces sever challenges due to the lack of understanding of the Li-S system. A multi-scale model framework from ab initio to continuum level is developed to gain insight into underlying physics of the lithium sulfur battery.

The basic function of a porous SOFC cathode is to reduce oxygen to oxygen ions and transport these ions to the electrolyte. Transition metal perovskite oxides is advantageous in their ability to accommodate oxygen vacancies, while preserving the lattice structure for electron transport. We utilize the smoothed-boundary model framework to implement such a dual-path model to simulate ion transport in perovskite oxide materials. 

Dendrite formation in lithium metal battery is a long existed problem that hampered its realization. We develop an electrochemical model and implement a linear stability analysis to investigate the effects of elastic separators on dendrite growth kinetics. The onset of morphological stability is found to be dependent on the shear modulus of the separator and the lithium electrode.

Oxygen Ion Transport in Solid Oxide Fuel Cell
Li-Metal Dendrite Inhibition
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