Molecular dynamics study of defect production due to low-energy collisions

J. M. Finder, D. F. Richards, James Adams

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Molecular dynamics (MD) simulations of collision cascades were studied in order to understand the effect of energy, temperature and direction of the primary knock-on atom (PKA) on the defect production in single crystal silicon for low-energy collision events. MD simulations were performed with ion energies ranging from 100 eV to 1 keV where the PKA was directed along the three major crystallographic directions at 0, 300 and 600 K. Collision cascades resulting from PKA energies above 100 eV appeared to undergo a solid- to liquid-like transformation at the height of the cascade event. Upon cooling, the liquid-like regions collapse resulting in the formation of numerous isolated defects and clusters of defects. We found that bulk and near-surface collision events followed the modified Kinchin-Pease model for defect production in silicon for the energies studied. Minimal temperature dependence was found for collision events that occurred in the bulk of the silicon crystal within the first 10 ps of the simulation.

Original languageEnglish (US)
Pages (from-to)495-502
Number of pages8
JournalModelling and Simulation in Materials Science and Engineering
Volume7
Issue number4
DOIs
StatePublished - Jul 1999

Fingerprint

Molecular Dynamics
Molecular dynamics
Silicon
Collision
Defects
molecular dynamics
collisions
defects
Cascade
Energy
cascades
Atoms
Molecular Dynamics Simulation
silicon
energy
Cascades (fluid mechanics)
Liquid
Computer simulation
Liquids
atoms

ASJC Scopus subject areas

  • Materials Science(all)
  • Modeling and Simulation
  • Physics and Astronomy (miscellaneous)

Cite this

Molecular dynamics study of defect production due to low-energy collisions. / Finder, J. M.; Richards, D. F.; Adams, James.

In: Modelling and Simulation in Materials Science and Engineering, Vol. 7, No. 4, 07.1999, p. 495-502.

Research output: Contribution to journalArticle

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