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From the Femtoscale to the Mesoscale and Back: an Integrated Multiscale Approach

Materials Design introduces new state-of-the art tools for integrated multi-scale modeling of material microstructure and mesoscale properties. The power of our newly enhanced MedeA modeling environment is showcased via engineering applications. 

Microstructure modeling plays a pivotal role in understanding material behavior and enables the design of advanced materials that are crucial for numerous industries. To this end, phase field methods informed by first principles computations and atomistic simulations offer a powerful tool for modeling multi-physics phenomena occurring at length and timescales unreachable with atomistic methods alone. We present engineering examples addressing problems in hydrogen embrittlement, alloy corrosion, battery manufacturing, and semiconductor development, illustrating the current state-of-the-art in phase field simulation and its coupling to atomistic simulation methods.

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