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

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

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

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
Volume96
Issue number1
DOIs
Publication statusPublished - Jul 2009
Externally publishedYes

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Laser damage
Molecular dynamics
Nanostructures
Germanium
Hamiltonians
Potential energy surfaces
Carbon Nanotubes
Lasers
Chirality
Computer simulation
Laser pulses
Carbon nanotubes
Melting
Acoustics
Defects
Chemical analysis

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)

Cite this

Molecular dynamics simulations of laser-induced damage of nanostructures and solids. / Jeschke, Harald Olaf; Diakhate, Momar S.; Garcia, Martin E.

In: Applied Physics A: Materials Science and Processing, Vol. 96, No. 1, 07.2009, p. 33-42.

Research output: Contribution to journalArticle

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