Atomistic simulation of internal interfaces in copper matrix alloys (B02)

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Internal interfaces in copper matrix alloys are investigated in this subproject by atomistic simulations. The studies are focussed on precipitates with complex structure and composition. In order to obtain most realistic structures, the formation of interfaces during thermal aging is simulated using the kinetic Monte Carlo method. The influence of the obtained precipitates and its interfaces on the strength and the electrical and thermal conductivities of the copper matrix alloys is studied by molecular dynamics simulations and ab initio calculations.