Atomistic computer simulations of irradiation-induced effects in nanostructured carbon materials

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    The irradiation of solids with energetic electrons and ions is believed to have a detrimental effect on the target material properties. However, recent experiments demonstrate that irradiation can have beneficial effects on nanostructured systems and that electron or ion beams may serve as tools to change their morphology and tailor their mechanical, electronic and even magnetic properties. Harnessing irradiation as a tool for modifying material properties at the nanoscale requires full microscopic understanding of irradiation-induced effects in nanotargets. In this article we review recent theoretical work on such phenomena as defect production in nano-scale carbon systems under irradiation, damage accumulation and annealing, as well as on defect properties. We show that atomistic simulations provide lots of insight into the basic physics, and not only reproduce the experimental results but also predict new effects which can further be used for beam-assisted engineering of carbon nano-systems.
    Original languageEnglish
    JournalJournal of Computational and Theoretical Nanoscience
    Issue number9
    Pages (from-to)1828-1851
    Number of pages24
    Publication statusPublished - 2008
    MoE publication typeA1 Journal article-refereed

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