Ab initio simulation is one of the most effective theoretical tools to study the electrons evolved heat transfer process. Here, we report the use of finite-temperature density functional theory (DFT) to investigate the electron thermal excitation, electron–phonon coupled heat transfer, and the corresponding thermal response induced by energy deposition of femtosecond laser pulse in gold. The calculated results for cases with different scales of electron excitations demonstrate significant electron temperature dependence of electron heat capacity and electron–phonon coupling factor. Bond hardening of laser-irradiated gold and structural variation from solid to liquid are observed. The obtained results shed light upon the ultrafast microscopic processes of thermal energy transport from electron subsystem to lattice subsystem and serve for an improved interpretation of femtosecond laser–metal interaction.
Electron–Phonon Coupled Heat Transfer and Thermal Response Induced by Femtosecond Laser Heating of Gold
University of Missouri,
Columbia, MO 65211
Presented a the 2016 ASME 5th Micro/Nanoscale Heat & Mass Transfer International Conference. Paper No. MNHMT2016-6428.
Contributed by the Heat Transfer Division of ASME for publication in the JOURNAL OF HEAT TRANSFER. Manuscript received May 26, 2016; final manuscript received October 5, 2016; published online February 7, 2017. Assoc. Editor: Zhuomin Zhang.
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Ji, P., and Zhang, Y. (February 7, 2017). "Electron–Phonon Coupled Heat Transfer and Thermal Response Induced by Femtosecond Laser Heating of Gold." ASME. J. Heat Transfer. May 2017; 139(5): 052001. https://doi.org/10.1115/1.4035248
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