SKM 2023 – wissenschaftliches Programm

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DS: Fachverband Dünne Schichten

DS 12: Poster

DS 12.6: Poster

Mittwoch, 29. März 2023, 17:00–19:00, P3

Molecular Dynamics - Two Temperature Model simulations of gold — •Othmane Benhayoun¹, Emiliano Princippi³, Bernd Bauerhenne¹, Dmitry S. Ivanov², and Martin E. Garcia¹ — ¹University of Kassel, Theoretical physics II, Kassel, Germany — ²Moscow, Russia — ³Elettra-Sincrotrone Trieste S.C.p.A., Trieste, Italy

We aim to explain the results obtained from a recent Ultrafast Electron Diffraction (UED) experiment that showed periodic oscillations in both height and width of the (311) Au diffraction peak. The same effect is however not observed in polycrystalline gold. We have thus performed Molecular Dynamics - Two Temperature Model (MD-TTM) simulations to model more than 11 million atoms, enabling us to understand the underlying physical processes. In our simulations, we obtain similar peak oscillations and determine the major mechanisms that lead to such lattice dynamics.