Molecular dynamics simulations of ion-irradiation induced deflection of 2D graphene films

Sachin S. Terdalkar, Sulin Zhang, Joseph J. Rencis, K. Jimmy Hsia

Research output: Contribution to journalArticle

19 Citations (Scopus)

Abstract

Ion-irradiation induced surface stress generation and the resulting deflection of 2D cantilever graphene films is studied using molecular dynamics (MD) simulations. The simulation results show that the free-end deflection is strongly dependent on the kinetic energy of the incident ions. At low incident energies (≪10 eV), the graphene film bends towards the irradiated side (upward deflection in our simulations); a transition from bending towards the irradiated side (upward deflection) to bending away from the irradiated side (downward deflection) occurs when the incident energy is ∼10 eV; the downward deflection peaks at ∼50 eV. Further increases of the incident energy cause the magnitude of downward deflection to decrease. The evolution of free-end deflection with respect to the number of incidences is also dependent on the incident energy. The dependence of the deflection behavior of the graphene films on the incident energy revealed by our atomistic simulations suggests the generation of intrinsic stress of different levels in the growing films. Such behavior may be attributed to competing mechanisms of production and annihilation of interstitial- and vacancy-like defects in the growing film. Understanding the dependence of thin film deflection on the incident energy provides guidelines for controlling thin film shapes at the nanometer scale using ion-beam machining.

Original languageEnglish (US)
Pages (from-to)3908-3917
Number of pages10
JournalInternational Journal of Solids and Structures
Volume45
Issue number13
DOIs
StatePublished - Jun 30 2008

Fingerprint

Graphite
Graphene
Ion bombardment
ion irradiation
Irradiation
Deflection
Molecular Dynamics Simulation
Molecular dynamics
deflection
graphene
Film growth
molecular dynamics
Computer simulation
Thin films
simulation
Kinetic energy
Ion beams
Energy
Vacancies
Machining

All Science Journal Classification (ASJC) codes

  • Modeling and Simulation
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Applied Mathematics

Cite this

Terdalkar, Sachin S. ; Zhang, Sulin ; Rencis, Joseph J. ; Hsia, K. Jimmy. / Molecular dynamics simulations of ion-irradiation induced deflection of 2D graphene films. In: International Journal of Solids and Structures. 2008 ; Vol. 45, No. 13. pp. 3908-3917.
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Molecular dynamics simulations of ion-irradiation induced deflection of 2D graphene films. / Terdalkar, Sachin S.; Zhang, Sulin; Rencis, Joseph J.; Hsia, K. Jimmy.

In: International Journal of Solids and Structures, Vol. 45, No. 13, 30.06.2008, p. 3908-3917.

Research output: Contribution to journalArticle

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