Capturing thin-film microstructure contributions during ultrafast laser-metal interactions using atomistic simulations

Materials & Design, vol. 256, pp. 114224

Abstract

Progress in the emerging fields of atomic and close-to-atomic scale manufacturing is underpinned by enhanced precision and optimization of laser-controlled nanostructuring. Understanding thin films' crystallographic orientations and microstructure effects becomes crucial for optimizing the laser-metallic thin film interactions; however, these effects remain largely unexplored at the atomic scale. Using a hybrid two-temperature model and molecular dynamics, we simulated ultrafast laser-metal interactions for gold thin films with varying crystallographic orientations and microstructure configurations. Microstructure features, namely grain size, grain topology, and local crystallographic orientation, controlled the rate and extent of lattice disorder evolution and phase transformation, particularly at lower applied fluences. Our simulations provided comprehensive insights encompassing both the nanomechanical and thermodynamic aspects of ultrafast laser-metal interactions at atomic resolution. Microstructure-aware/informed thin film fabrication and targeted defect engineering could improve the precision of nanoscale laser processing and potentially emerge as an energy-efficient optimization strategy.

Authors 2

1. Hariprasath Ganesan corresponding

   Forschungszentrum Jülich

   Affiliation as printed

   Institute for Advanced Simulations – Materials Data Science and Informatics (IAS-9), Forschungszentrum Juelich, Juelich, Germany

2. Stefan Sandfeld Aachen Faculty of Georesources and Materials Engineering Chair of Materials Data Science and Materials Informatics

   RWTH Aachen University · Forschungszentrum Jülich

   Affiliation as printed

   Institute for Advanced Simulations – Materials Data Science and Informatics (IAS-9), Forschungszentrum Juelich, Juelich, Germany

   RWTH Aachen University, Faculty of Georesources and Materials Engineering, Chair of Materials Data Science and Materials Informatics, Aachen, Germany