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Project leaders: Prof. Dr. Babette Tonn, Prof. Dr. Harald Schmidt, Prof. Dr. Nina Merkert (Simulation Science Center)
Funding period: 01.01.2022 - 31.12.2026
Funding body: DFG
Researchers: M.Sc. Vanessa Glück-Nardi, M.Sc. Yiran Zhu
The possibility of combining materials with different mechanical, chemical and physical properties in one component leads to the development of hybrid components with improved properties that meet technological and industrial progress. Accordingly, the composite casting process is highlighted here, as it is an efficient method for producing semi-finished products from hybrids. During the process, the high temperatures allow diffusion and reaction of the starting products at the contact surface and brittle intermetallic layers are formed. From a technological perspective, engineers seek to understand how the development of the intermetallic phases affects the performance of the final component, while metallurgists and materials scientists contribute essential information on the chemistry of alloy formation, which is responsible for the final quality of the hybrid components. Understanding and controlling the formation and growth of these intermetallic phases is therefore the key factor in optimizing the composite strength of newly developed hybrid components. In this context, it is essential to be able to predict the final thickness of the intermetallic layers and avoid a series of trial-and-error experiments. Currently, in composite casting of aluminum alloys and brass, the numerical prediction of the intermetallic layer thickness is complicated by the complex diffusion behavior of the main elements Al, Cu and Zn. The aim of this project is to develop a sequential multiscale approach in which molecular dynamics (MD) simulation will provide the diffusion data needed for the macromodel equations describing the solid-liquid diffusion process in composite casting. This multiscale approach will allow the prediction of layer thicknesses of the intermetallic phases in the Al-Cu-Zn multicomponent and multiphase system. To achieve our goal, fundamental diffusion experiments are essential to validate the MD simulation results. Solid-liquid diffusion experiments on a laboratory scale are performed to investigate the mechanism of interface formation and to validate the results on the thickness of the intermetallic layers.