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Citation: V.V. Zhakhovskii, N.A. Inogamov, Y.V. Petrov, S.I. Ashitkov, and K. Nishihara (2009), "Molecular dynamics simulation of femtosecond ablation and spallation with different interatomic potentials", Applied Surface Science, 255(24), 9592-9596. DOI: 10.1016/j.apsusc.2009.04.082.
Abstract: Fast heating of target material by femtosecond laser pulse (fsLP) with duration τL~40–100fs results in the formation of thermomechanically stressed state. Its unloading may cause frontal cavitation of subsurface layer at a depth of 50nm for Al and 100nm for Au. The compression wave propagating deep into material hits the rear-side of the target with the formation of rarefaction wave. The last may produce cracks and rear-side spallation. Results of MD simulations of ablation and spallation of Al and Au metals under action fsLP are presented. It is shown that the used EAM potentials (Mishin et al. and our new one) predict the different ablation and spallation thresholds on absorbed fluence in Al: ablation Fa=6065mJ/cm2 and spallation Fs=120190mJ/cm2, where numbers in brackets show the corresponding values for Mishin potential. The strain rate in spallation zone was 4.3×10^9 1/s at spallation threshold. Simulated spall strength of Al is 7.48.7GPa, that is noticeably less than 10.314GPa obtained from acoustic approximation with the use of velocity pullback on velocity profile of free rear surface. The ablation threshold Fa≈120mJ/cm2 and crater depth of 110nm are obtained in MD simulations of gold with the new EAM potential. They agree well with experiment.

Notes: Dr. Zhakhovsky noted that the potential was used in several works related to MD simulations of laser ablation and shock-wave loading, and that the potential was designed to reproduce the cold stress curves, the shock Hugoniot, and the melting point with good accuracy.

LAMMPS pair_style eam/alloy (2009--Zhakhovskii-V-V--Au--LAMMPS--ipr1)
See Computed Properties
Notes: These files were sent by V.V. Zhakhovsky (VNIIA) on 25 Feb. 2017 and posted with his permission. Update March 15, 2020: This version was identified to not be compatible with LAMMPS.
File(s): retracted

LAMMPS pair_style eam/alloy (2009--Zhakhovskii-V-V--Au--LAMMPS--ipr2)
See Computed Properties
Notes: This file was posted on 15 March 2020. It corrects the 4th line to be compatible with LAMMPS by removing the comment "3.81 ! cohesive energy [eV] to check".

Implementation Information

This page displays computed properties for the 2009--Zhakhovskii-V-V--Au--LAMMPS--ipr1 implementation of the 2009--Zhakhovskii-V-V-Inogamov-N-A-Petrov-Y-V-et-al--Au potential. Computed values for other implementations can be seen by clicking on the links below:

Date Created: October 5, 2010 | Last updated: July 31, 2020