Open AccessMolecular dynamics simulations of the laser ablation of silicon with the thermal spike model
Author(s) -
Dominic Klein,
Eugen Eisfeld,
Johannes Roth
Publication year - 2020
Publication title -
journal of physics. d, applied physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.857
H-Index - 198
eISSN - 1361-6463
pISSN - 0022-3727
DOI - 10.1088/1361-6463/abb38e
Subject(s) - silicon , boltzmann equation , electron , context (archaeology) , thermal , excitation , boltzmann constant , statistical physics , laser , molecular dynamics , dephasing , mesoscale meteorology , physics , computational physics , condensed matter physics , thermodynamics , optoelectronics , optics , quantum mechanics , paleontology , biology , meteorology
The purpose of this work is to model laser ablation of silicon on an atomistic scale in combination with a mesoscale model for the description of the electron-phonon interaction and an electron-temperature dependent interaction potential. The well-known continuum two-temperature model (TTM) for solids with highly excited electrons is extended from metals to silicon by explicitly taking charge carrier transport effects into account (nTTM). This is accomplished by the drift-diffusion limit of the Boltzmann-transport equation leading to the so called thermal-spike model (TSM). The model is further enhanced by extending the static modified Tersoff potential to a dynamical carrier excitation dependent interaction potential. We compare the TSM and nTTM with regard to physical correctness, numerical stability and applicability in the context of large-scale massive parallel high performance computing.