Physics – Condensed Matter – Materials Science
Scientific paper
2007-03-25
Phys. Rev. B 75, 115418 (2007)
Physics
Condensed Matter
Materials Science
5 pages, 4 figures
Scientific paper
10.1103/PhysRevB.75.115418
Understanding radiation-induced defect formation in carbon materials is crucial for nuclear technology and for the manufacturing of nanostructures with desired properties. Using first principles molecular dynamics, we perform a systematic study of the non-equilibrium processes of radiation damage in graphite. Our study reveals a rich variety of defect structures (vacancies, interstitials, intimate interstitial-vacancy pairs, and in-plane topological defects) with formation energies of 5--15 eV. We clarify the mechanisms underlying their creation and find unexpected preferences for particular structures. Possibilities of controlled defect-assisted engineering of nanostructures are analyzed. In particular, we conclude that the selective creation of two distinct low-energy intimate Frenkel pair defects can be achieved by using a 90--110 keV electron beam irradiation.
Helm Lothar
Rothlisberger Ursula
Tavernelli Ivano
Yazyev Oleg V.
No associations
LandOfFree
Early stages of radiation damage in graphite and carbon nanostructures: A first-principles molecular dynamics study does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Early stages of radiation damage in graphite and carbon nanostructures: A first-principles molecular dynamics study, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Early stages of radiation damage in graphite and carbon nanostructures: A first-principles molecular dynamics study will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-68237