Molecular Dynamics Simulations of Laser-Materials Interactions: General and Material-Specific Mechanisms of Material Removal and Generation of Crystal Defects. In: Veiko V., Konov V. (eds) Fundamentals of Laser-Assisted Micro- and Nanotechnologies

Karim, Eaman T.; Wu, Chengping; Zhigilei, Leonid V.

doi:10.1007/978-3-319-05987-7_2

Title: Molecular Dynamics Simulations of Laser-Materials Interactions: General and Material-Specific Mechanisms of Material Removal and Generation of Crystal Defects. In: Veiko V., Konov V. (eds) Fundamentals of Laser-Assisted Micro- and Nanotechnologies

Book · Tue May 20 00:00:00 EDT 2014

DOI:https://doi.org/10.1007/978-3-319-05987-7_2· OSTI ID:1567509

Karim, Eaman T. ^[1]; Wu, Chengping ^[1]; Zhigilei, Leonid V. ^[1]

University of Virginia, Charlottesville, VA

Molecular dynamics simulations of laser-materials interactions are capable of providing detailed information on the complex processes induced by the fast laser energy deposition and can help in the advancement of laser-driven applications. This chapter provides a brief overview of recent progress in the atomic- and molecular-level modeling of laser-materials interactions and presents several examples of the application of atomistic simulations for investigation of laser melting and resolidification, generation of crystal defects, photomechanical spallation, and ablation of metals and molecular targets. A particular focus of the analysis of the computational results is on revealing the general and material-specific phenomena in laser-materials interactions and on making connections to experimental observations.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: FA9550-10-1-0541

OSTI ID:: 1567509

Country of Publication:: United States

Language:: English

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