Overview of AI-based multiscale simulations for reversible solid oxide cells. (IMAGE)

Seoul National University College of Engineering

Overview of AI-based multiscale simulations for reversible solid oxide cells.

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Left: Large-scale modeling and thermodynamic stability evaluation of 2,860 interface structures using machine-learning interatomic potentials. Center: Analysis of oxygen-vacancy formation-energy distributions and oxygen-ion diffusion behavior. Right: DFT-based analysis of interfacial energy bands and charge transfer driven by the built-in interfacial potential.

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© Nature Energy, originally published in Nature Energy

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