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Methodological challenges in combining quantum-mechanical and continuum approaches for materials science applications

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  1. Article

    Open Access

    A rare-earth free magnesium alloy with improved intrinsic ductility

    Metals are the backbone of manufacturing owing to their strength and formability. Compared to polymers they have high mass density. There is, however, one exception: magnesium. It has a density of only 1.7 g/cm3,...

    S. Sandlöbes, M. Friák, S. Korte-Kerzel, Z. Pei, J. Neugebauer… in Scientific Reports (2017)

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  2. Article

    Open Access

    Atomistic calculations on interfaces: Bridging the length and time scales

    Phase field simulations suitable to describe interfacial phenomena at the mesoscale require as input parameters accurate interfacial energies as well as the interface mobilities. However, this information is n...

    L. Lymperakis, M. Friák, J. Neugebauer in The European Physical Journal Special Topics (2009)

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