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Dynamic Material Parameters in Molecular Dynamics and Hydrodynamic Simulations on Ultrashort-Pulse Laser Ablation of Aluminum

Scharring, Stefan and Patrizio, Marco and Eckel, Hans-Albert and Roth, Johannes and Povarnitsyn, Mikhail (2018) Dynamic Material Parameters in Molecular Dynamics and Hydrodynamic Simulations on Ultrashort-Pulse Laser Ablation of Aluminum. In: High Performance Computing in Science and Engineering ' 17 Transactions of the High Performance Computing Center, Stuttgart (HLRS). Springer. pp. 169-186. doi: 10.1007/978-3-319-68394-2_10. ISBN 978-3-319-68393-5.

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Official URL: http://www.springer.com/de/book/9783319683935

Abstract

Molecular Dynamics reveals a detailed insight into the material processes. Among various available codes, IMD features an implementation of the two-temperature model for laser-matter interaction. Reliable simulations, however, are restricted to the femtosecond regime, since a constant absorptivity is assumed. For picosecond pulses, changes of the dielectric permittivity epsilon and the electron thermal conductivity kappa due to temperature, density and mean charge have to be considered. Therefore, IMD algorithms were modified for the dynamic recalculation of epsilon and kappa for every timestep following the corresponding implementation in the hydrodynamic code Polly-2T. The usage of dynamic permittivity yields an enhanced absorptivity during the pulse leading to greater material heating. In contrast, increasing conductivity induces material cooling which in turn decreases absorptivity and heating resulting in a higher ablation threshold. This underlines the importance of a dynamic model for epsilon and kappa with longer pulses which is commonly often neglected. Summarizing all simulations with respect to absorbed laser fluence, ablation depths in Polly-2T are two times higher than in IMD. This can be ascribed to the higher spallation strength in IMD stemming from the material-specific potential deviating from the equations of state used in Polly-2T.

Item URL in elib:https://elib.dlr.de/117444/
Document Type:Contribution to a Collection
Title:Dynamic Material Parameters in Molecular Dynamics and Hydrodynamic Simulations on Ultrashort-Pulse Laser Ablation of Aluminum
Authors:
AuthorsInstitution or Email of AuthorsAuthor's ORCID iD
Scharring, StefanStefan.Scharring (at) dlr.deUNSPECIFIED
Patrizio, Marcom.patrizio (at) gsi.deUNSPECIFIED
Eckel, Hans-AlbertHans-Albert.Eckel (at) dlr.dehttps://orcid.org/0000-0002-4581-6375
Roth, Johannesjohannes (at) itap.physik.uni-stuttgart.deUNSPECIFIED
Povarnitsyn, Mikhailpovar (at) ihed.ras.ruUNSPECIFIED
Date:5 January 2018
Journal or Publication Title:High Performance Computing in Science and Engineering ' 17
Refereed publication:Yes
Open Access:Yes
Gold Open Access:No
In SCOPUS:Yes
In ISI Web of Science:No
DOI :10.1007/978-3-319-68394-2_10
Page Range:pp. 169-186
Editors:
EditorsEmailEditor's ORCID iD
Nagel, Wolfgang E.UNSPECIFIEDUNSPECIFIED
Kröner, Dietmar H.UNSPECIFIEDUNSPECIFIED
Resch, Michael M.UNSPECIFIEDUNSPECIFIED
Publisher:Springer
Series Name:Transactions of the High Performance Computing Center, Stuttgart (HLRS)
ISBN:978-3-319-68393-5
Status:Published
Keywords:Molecular Dynamics, Hydrodynamic Simulation, Laser Ablation, Ultrashort Laser Pulses, Two-Temperature Model, Heat Conductivity, Permittivity, Electron-Phonon-Coupling
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Aeronautics
HGF - Program Themes:fixed-wing aircraft
DLR - Research area:Aeronautics
DLR - Program:L AR - Aircraft Research
DLR - Research theme (Project):L - Laser Research and Technology (old)
Location: Stuttgart
Institutes and Institutions:Institute of Technical Physics > Studies and Concepts
Deposited By: Scharring, Stefan
Deposited On:08 Jan 2018 08:38
Last Modified:10 Mar 2022 10:47

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