Article contents
Atomistic Simulation of Displacement Cascades in Zircon
Published online by Cambridge University Press: 21 March 2011
Abstract
Low-energy displacement cascades in zircon (ZrSiO4) initiated by a Zr primary knock-on atom have been investigated by molecular dynamics (MD) simulations using a Coulombic model for long-range interactions, Buckingham potential for short-range interactions and Ziegler-Biersack potentials for close pair interactions. Displacements are found to occur mainly in the O sublattice, and O replacements by a ring mechanism are predominant. Clusters containing Si interstitials bridged by O interstitials, vacancy clusters and anti-site defects are found to occur. This Si-O-Si bridging is considerable in ZrSiO4 quenched from the melt in MD simulations.
- Type
- Research Article
- Information
- Copyright
- Copyright © Materials Research Society 2002
References
REFERENCES
- 1
- Cited by