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Melting and thermal ablation of a silver film induced by femtosecond laser heating: a multiscale modeling approach

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Abstract

The femtosecond laser pulse heating of silver film is investigated by performing quantum mechanics (QM), molecular dynamics (MD), and two-temperature model (TTM) integrated multiscale simulation. The laser excitation dependent electron thermophysical parameters (electron heat capacity, electron thermal conductivity, and effective electron–phonon coupling factor) are determined from ab initio QM calculation, and implemented into TTM description of electron thermal excitation, heat conduction, as well as electron–phonon coupled thermal energy transport. The kinetics of atomic motion is modeled by MD simulation. Energy evolution of excited electron subsystem is described by TTM in continuum. The MD and TTM are coupled by utilizing the effective electron–phonon coupling factor. Laser heating with varying laser fluences is systematically studied to determine the thresholds of homogeneous melting and ablation. The thermal ablation induced by rapid expansion of locally and excessively superheated silver is reported. This paper provides a basis for interpreting the phase-change process induced by laser heating, and facilitates the advancement of femtosecond laser pulse processing of material.

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Abbreviations

A :

Material constant describing the electron–electron scattering rate (s−1 K−2)

B :

Material constant describing the electron–phonon scattering rate (s−1 K−1)

C e :

Electron heat capacity (J/(m3K))

E :

Energy (J)

f :

Fermi–Dirac distribution function

g :

Electron density of states

G e–ph :

Effective electron-phonon coupling factor (W/(m3K))

J :

Laser fluence (J/cm2)

k :

Thermal conductivity (W/(mK))

k B :

Boltzmann constant (1.38 × 10−23 J/K)

m :

Mass (kg)

L :

Penetrating depth (m)

q :

Heat flux (W/m2)

\(\varvec{r}_{\varvec{i}}\) :

Position of an atom (m)

t :

Time (s)

T :

Temperature (K)

v :

Velocity (m/s)

V c :

Volume of unit cell (m3)

ɛ :

Electron energy level (J)

μ :

Chemical potential (J)

λ〈ω2〉:

Second moment of the electron–phonon spectral function (meV2)

ρ :

Density (kg/m3)

τ e :

Total electron scattering time (s)

τ xx :

Thermal stress (GPa)

ba:

Ballistic transport

\(e\) :

Electron

F :

Fermi level

\(l\) :

Lattice

op:

Optical penetration

p :

Laser pulse

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Acknowledgements

Support for this work by the U.S. National Science Foundation under Grant Number CBET-133611 is gratefully acknowledged.

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  1. Department of Mechanical and Aerospace Engineering, University of Missouri, Columbia, MO, 65211, USA

    Pengfei Ji & Yuwen Zhang

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Ji, P., Zhang, Y. Melting and thermal ablation of a silver film induced by femtosecond laser heating: a multiscale modeling approach. Appl. Phys. A 123, 671 (2017). https://doi.org/10.1007/s00339-017-1269-7

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