Regensburg 2025 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 9: Poster

MM 9.38: Poster

Montag, 17. März 2025, 18:30–20:30, P1

An extended two-temperature model for copper — •Simon Kümmel and Johannes Roth — FMQ, University of Stuttgart, Germany

Since its introduction, the two-temperature model (TTM) has been a very powerful tool used to simulate material under strong electronic excitation following strong laser irradiation by coupled heat conduction equations for the electronic and lattice system.

Here, we present an implementation of the TTM, coupled to a molecular dynamics code, in which the heat capacity, the heat conduction, electron-phonon coupling parameter depend on the degree of excitation. We extend this model by also including an interatomic potential that depends on the degree of excitation and is capable of reproducing non-thermal effects predicted by electron temperature-dependent density functional theory calculations.

We investigate the influence and importance of each parameter in a case study applied to copper and compare our findings to experimental investigations.

Keywords: Molecular dynamics; Two-temperature model; Non-thermal; DFT