A molecular dynamics study of radiation damage in rutile, TiO 2

1 January 1982

journal article
research article
Published by Taylor & Francis in Radiation Effects

Vol. 68 (3) , 89-92
https://doi.org/10.1080/01422448208226914

Abstract

Preliminary results of radiation damage simulations in rutile, TiO₂, are presented. Apart from the strong anisotropy of threshold energy with impulse direction, it has been found that there is a very low threshold energy for oxygen displacement in the basal plane along some directions, of about 10 eV. The defect structures are not simple, with three-ion crowdions and interstitial-divacancy complexes being favoured over interstitials and vacancies.

Keywords

This publication has 4 references indexed in Scilit:

Defect energetics in $α$ - ${Al}_{2}$ $O_{3}$ and rutile Ti $O_{2}$
Physical Review B, 1982
Interionic potentials in alkali halides and their use in simulations of the molten salts
Advances in Physics, 1976
Dynamics of Radiation Damage in Face-Centered-Cubic Alkali Halides
Physical Review B, 1967
Ionic sizes and born repulsive parameters in the NaCl-type alkali halides—I
Journal of Physics and Chemistry of Solids, 1964