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Smoothed Boundary Method Framework for Electrochemical Simulation of Li-ion Battery Cathode with Complex Microstructure: Model, Formulation and Parameterization
Hui-Chia Yu, Bernardo Orvananos, Scott Cronin +3
Rechargeable battery electrodes have highly complex microstructures, consisting of nonuniform electrode particles, tortuous electrolyte channels, and irregular particle-electrolyte…
Crossover Dynamics of Non-Fickian Ionic Diffusion in Solids
Gangbin Yan, Pierfrancesco Ombrini, Zhichu Tang +14
Ionic diffusion in solids is central to energy storage, electronics, and catalysis, yet its chemical origins are difficult to resolve because conventional diffusion models struggle…
Learning Reaction-Diffusion Kinetics from Mechanical Information
Royal C. Ihuaenyi, Hongbo Zhao, Ruqing Fang +3
A central challenge in materials science is characterizing chemical processes that are elusive to direct measurement, particularly in functional materials operating under realistic…
Accelerating and enhancing thermodynamic simulations of electrochemical interfaces
Xiaochen Du, Mengren Liu, Jiayu Peng +6
Electrochemical interfaces are crucial in catalysis, energy storage, and corrosion, where their stability and reactivity depend on complex interactions between the electrode, adsor…