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MM: Fachverband Metall- und Materialphysik

MM 19: Poster Session

MM 19.38: Poster

Dienstag, 10. März 2026, 18:00–20:00, P5

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

The two-temperature model (TTM) describes a set of coupled heat conduction equations of an electronic and lattice subsystem that allows the study of materials under strong electronic excitation following laser irradiation.

Here, we present recent advances in the development of an implementation coupled to a molecular dynamics code. In particular, this implementation allows the study of effects that emerge from the change of the bond strength at high degrees of excitation. For that, we recently developed an electron temperature-dependent interaction potential for copper [1] that is capable of reproducing bond-hardening at high degrees of excitation. We discuss the importance of energy conservation when using such interactions and propose an implementation strategy.

Furthermore, we discuss the importance of taking ballistic electron motion into account before the establishment of an electron temperature within such TTM simulations. We compare two approaches and discuss the differences.

[1] S. Kümmel, J. Roth, J. Phys. D: Appl. Phys. 58, 415302 (2025)

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