Molecular dynamics simulations of laser-induced damage of nanostructures and solids

Harald O. Jeschke, Momar S. Diakhate, Martin E. Garcia

Research output: Contribution to journalArticlepeer-review

21 Citations (Scopus)


A theoretical approach to treat laser induced femtosecond structural changes in covalently bonded nanostructures and solids is described. Our approach consists in molecular dynamic simulations performed on the basis of time-dependent, many-body potential energy surfaces derived from tight-binding Hamiltonians. The shape and spectral composition of the laser pulse is explicitly taking into account in a non-perturbative way. We show a few examples of the application of this approach to describe the laser damage and healing of defects in carbon nanotubes with different chiralities and the ultrafast nonequilibrium melting of bulk germanium, initiated by the laser-induced softening and destabilization of transversal acoustic phonon modes.

Original languageEnglish
Pages (from-to)33-42
Number of pages10
JournalApplied Physics A: Materials Science and Processing
Issue number1
Publication statusPublished - Jul 2009
Externally publishedYes

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)


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