Solid-solid Phase Transitions at Surfaces (A03)

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Using classical molecular dynamics simulation we will investigate the mechanisms underlying the martensitic transformation in iron and iron-based alloys (Fe-C, Fe-Ni, Fe-Cr). The influence of defects such as grain boundaries, precipitates or dislocations on the phase transformation, and the effect of various mechanical stress states in the material will be characterized. Our atomistic data allows to generate parameters as input for mesoscopic phase field model calculations.