Berlin 2018 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 76: Methods in Computational Materials Modelling (methodological aspects, numerics)

MM 76.4: Talk

Friday, March 16, 2018, 12:00–12:15, TC 006

Molecular Dynamics Simulation of Periodic Nanostructuring of Au due to UV Laser Pulse under Water Layer on the Experimental Scale — •Dmitry Ivanov^1,2, Andreas Blumenstein^2,3, Baerbel Rethfeld², Juergen Ihlemman³, Peter Simon³, and Martin Garcia¹ — ¹Physics Department, University of Kassel, 34132 Kassel, Germany — ²Physics Department, Technical University of Kaiserslautern and OPTIMAS Research Centre, 67663 Kaiserslautern, Germany — ³Laser-Laboratorium Göttingen e.V., 37033 Göttingen, Germany

The physical mechanism of materials surface restructuring involves a lot of fast, non-equilibrium, and interrelated processes while the solid is in a transient state. While the experimental investigation of the material restructuring mechanism can be limited to post-priory observations, the theoretical methods, working within a single computational approach with corresponding spatial and temporal scales, cannot address all physical aspects of the nanostructuring process. In this work we propose a combined atomistic-continuum approach suitable for the investigation of periodic nanostructuring mechanism due to a UV ultrashort laser pulse on the experimental scale. The combined model is applied to investigate the nanostructuring mechanism under conditions of vacuum ambient and in the regime of spatial confinement due to a thick water layer above the target. The obtained results, generated on the same temporal and spatial scales as they are in the experiment, allowed to extract the main mechanisms of nanostructuring process and the reasons for a higher quality of structures generated under water.