Generation of nanoclusters by ultrafast laser ablation of Al: Molecular dynamics study

Miloshevsky, Alexander; Phillips, Mark C.; Harilal, Sivanandan S.; Dressman, Phillip; Miloshevsky, Gennady

doi:10.1103/PhysRevMaterials.1.063602

Title: Generation of nanoclusters by ultrafast laser ablation of Al: Molecular dynamics study

Journal Article · Wed Nov 01 00:00:00 EDT 2017 · Physical Review Materials

DOI:https://doi.org/10.1103/PhysRevMaterials.1.063602· OSTI ID:1426363

Miloshevsky, Alexander; Phillips, Mark C.; Harilal, Sivanandan S.; Dressman, Phillip; Miloshevsky, Gennady

The laser ablation of materials induced by an ultrashort femtosecond pulse is a complex phenomenon, which depends on both the material properties and the properties of the laser pulse. The unique capability of a combination of molecular dynamics (MD) and Momentum Scaling Model (MSM) methods is developed and applied to a large atomic system for studying the process of ultrafast laser-material interactions, behavior of matter in a highly non-equilibrium state, material disintegration, and formation of nanoparticles (NPs). Laser pulses with several fluences in the range from 500 J/m2 to 5000 J/m2 interacting with a large system of aluminum atoms are simulated. The response of Al material to the laser energy deposition is investigated within the finite-size laser spot. It is found that the shape of the plasma plume is dynamically changing during an expansion process. At several tens of picoseconds it can be characterized as a long hollow ellipsoid surrounded by atomized and nano-clustered particles. The time evolution of NP clusters in the plume is investigated. The collisions between the single Al atoms and generated NPs and fragmentation of large NPs determine the fractions of different-size NP clusters in the plume. The MD-MSM simulations show that laser fluence greatly affects the size distribution of NPs, their polar angles, magnitude and direction vectors of NP velocities. These results and predictions are supported by the experimental data and previous MD simulations.

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Research Organization:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: AC05-76RL01830

OSTI ID:: 1426363

Report Number(s):: PNNL-SA-126853; PRMHAR

Journal Information:: Physical Review Materials, Vol. 1, Issue 6; ISSN 2475-9953

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

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