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

Pengfei Ji, Yuwen Zhang*

*此作品的通讯作者

科研成果: 期刊稿件文章同行评审

12 引用 (Scopus)

摘要

By combining the ab initio quantum mechanics (QM) calculation and the 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 (MD) and the two-temperature model (TTM). 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 a deeper melting region, a larger number of density waves travelling inside the copper film, and more various speeds of atomic clusters ablated from the irradiated film surface.

源语言英语
页(从-至)128-136
页数9
期刊Numerical Heat Transfer; Part A: Applications
71
2
DOI
出版状态已出版 - 17 1月 2017
已对外发布

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Ji, P., & Zhang, Y. (2017). Multiscale modeling of femtosecond laser irradiation on a copper film with electron thermal conductivity from ab initio calculation. Numerical Heat Transfer; Part A: Applications, 71(2), 128-136. https://doi.org/10.1080/10407782.2016.1257305