Multiscale modeling of femtosecond laser irradiation on copper film with electron thermal conductivity from ab initio calculation

Abstract

By combining ab initio quantum mechanics calculation and Drude model, electron temperature and lattice temperature dependent electron thermal conductivity is calculated and implemented into a multiscale model of laser material interaction, which couples the classical molecular dynamics and two-temperature model. The results indicated that the electron thermal conductivity obtained from ab initio calculation leads to faster thermal diffusion than that using the electron thermal conductivity from empirical determination, which further induces deeper melting region, larger number of density waves travelling inside the copper film and more various speeds of atomic clusters ablated from the irradiated film surface.

References in corpus (4)

• Ab initio determination of effective electron-phonon coupling factor in copper
• Femtosecond Laser Processing of Germanium: An Ab Initio Molecular Dynamics Study
• Continuum-atomistic simulation of picosecond laser heating of copper with electron heat capacity from ab initio calculation
• Structural, Dynamic, and Vibrational Properties during Heat Transfer in Si/Ge Superlattices: A Car-Parrinello Molecular Dynamics Study

Cited by in corpus (1)

• Melting and thermal ablation of a silver film induced by femtosecond laser heating: A multiscale modeling approach