Molecular dynamics study of nanoparticle evolution in a background gas under laser ablation conditions |
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Authors: | K Gouriet LV Zhigilei |
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Institution: | a Laboratory of Lasers, Plasmas and Photonic Processes (LP3 CNRS), Université de la Méditerranée, Campus de Luminy, Case 917, 13288 Marseille, France b Department of Materials Science & Engineering, University of Virginia, 395 McCormick Road, Charlottesville, VA 22904-4745, USA |
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Abstract: | Long-time evolution of nanoparticles produced by short laser interactions is investigated for different materials. To better understand the mechanisms of the nanoparticle formation at a microscopic level, we use molecular dynamics (MD) simulations to analyse the evolution of a cluster in the presence of a background gas with different parameters (density and temperature). In particular, we compare the simulation results obtained for materials with different interaction potentials (Morse, Lennard-Jones, and Embedded Atom Model). Attention is focused on the evaporation and condensation processes of a cluster with different size and initial temperature. As a result of the MD calculations, we determinate the influence of both cluster properties and background gas parameters on the nanoparticle evolution. The role of the interaction potential is discussed based on the results of the simulations. |
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Keywords: | Molecular dynamics method Cluster Evaporation rate Potential interaction |
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