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D. Böhm, T. Schrefl, A. Eder, C. Eisenmenger-Sittner:
"Prediction of composition and structural properties of sputtered multi-component coatings by a Virtual Machine";
Vortrag: ÖGV-Seminar 2021, Seminar der Österreichischen Gesellschaft für Vakuumtechnik 2021, Wien; 24.09.2021.

Keywords: sputtering, co-sputtering, thin film multilayer, thin film composite material, sputter-simulation, simulated film growth, XRD diffractogram calculation, XRD measurement, microstructure prediction

To be able to predict the composition and the structural properties of multi-component thin films deposited by magnetron sputtering a so-called Virtual Machine (VM) was designed. The VM is an interactive ray tracing software that simulates film growth by a line-of-sight model.
The VM is initiated with a 3D model of a real sputter system which includes the static arrangement of multiple targets and the substrate and eventual obstacles, as well as dynamics. Then the composition, the microstructure and the crystallographic phases with their associated XRD patterns are calculated for the simulated film. On each sampling point a composition is calculated over several time steps.
With this information and a library of binary phase diagrams the corresponding crystallographic phase can be calculated and displayed. Another way to display the data is to stack the appearing composition and phases over all time steps. Such a phase stack is equivalent to an EDX line scan performed on a metallurgical cross section of the coated sample. On the basis of examples the above mentioned comparisons are presented.
Acknowledgments
This project has received funding from the Clean Sky 2 Joint Undertaking under the European Union´s Horizon 2020 research and innovation program under Grant No 785414