Molecular Dynamics Simulations of Laser-Materials Interactions: General and Material-Specific Mechanisms of Material Removal and Generation of Crystal Defects

  • Eaman T. Karim
  • Chengping Wu
  • Leonid V. ZhigileiEmail author
Part of the Springer Series in Materials Science book series (SSMATERIALS, volume 195)


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.


Laser Fluence Irradiate Target Ablation Plume Phase Explosion Melting Front 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.



Financial support for this work was provided by the National Science Foundation (NSF) through Grants DMR-0907247 and CMMI-1301298, Electro Scientific Industries, Inc., and the Air Force Office of Scientific Research through Grant FA9550-10-1-0541. Computational support was provided by the Oak Ridge Leadership Computing Facility (project MAT048) and NSF through the Extreme Science and Engineering Discovery Environment (project TG-DMR110090).


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Copyright information

© Springer International Publishing Switzerland 2014

Authors and Affiliations

  • Eaman T. Karim
    • 1
  • Chengping Wu
    • 1
  • Leonid V. Zhigilei
    • 1
    Email author
  1. 1.Department of Materials Science and EngineeringUniversity of VirginiaCharlottesvilleUSA

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