Modeling laser interactions with aluminum and tantalum targets using a hybrid atomistic-continuum model

Chen, Ching; Galitskiy, Sergey; Mishra, Avanish; Dongare, Avinash M.

doi:10.1063/5.0138389

Modeling laser interactions with aluminum and tantalum targets using a hybrid atomistic-continuum model

Journal Article · Thu Mar 09 00:00:00 EST 2023 · Journal of Applied Physics

DOI:https://doi.org/10.1063/5.0138389· OSTI ID:2417902

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University of Connecticut, Storrs, CT (United States); OSTI
University of Connecticut, Storrs, CT (United States)

A hybrid atomistic-continuum method can model the microstructure evolution of metals subjected to laser irradiation. This method combines classical molecular dynamics (MD) simulations with the two-temperature model (TTM) to account for the laser energy absorption and heat diffusion behavior. Accurate prediction of the temperature evolution in the combined MD-TTM method requires reliable accuracy in electron heat capacity, electron thermal conductivity, and electron–phonon coupling factor across the temperatures generated. This study uses the electronic density of states (DOS) obtained from first-principle calculations. The calculated electron temperature-dependent parameters are used in MD-TTM simulations to study the laser metal interactions in FCC and BCC metals and the phenomenon of laser shock loading and melting. This study uses FCC Al and BCC Ta as model systems to demonstrate this capability. When subjected to short pulsed laser shocks, the dynamic failure behavior predicted using temperature-dependent parameters is compared with the experimentally reported single-crystal and nanocrystalline Al and Ta systems. The MD-TTM simulations also investigate laser ablation and melting behavior of Ta to compare with the ablation threshold reported experimentally. In conclusion, this manuscript demonstrates that integrating the temperature-dependent parameters into MD-TTM simulations leads to the accurate modeling of the laser–metal interaction and allows the prediction of the kinetics of the solid–liquid interface.

View Accepted Manuscript (DOE)

Research Organization:: Texas A & M University, College Station, TX (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: NA0003857

OSTI ID:: 2417902

Alternate ID(s):: OSTI ID: 1960559

Journal Information:: Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 10 Vol. 133; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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