Investigation of the influence of carbon on the dislocation mobility in alpha-iron using atomistic simulations

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In this project, the influence of solute carbon in ferritic iron on the mechanisms of plastic deformation is to be studied using atomistic simulations. For this case, a recently developed method to couple Molecular Dynamics simulation and Monte-Carlo methods shall be extended in order to simulated both dislocation based plasticity and diffusion of carbon in an unified framework. With this approach, the formation of Cottrell-athmospheres around dislocation cores and their influence on the mobility of dislocations is to be studied on an atomistic scale. From such simulation, the cause of macroscopically observed effects, e.g. an increased yield strength, is to be deduced.