Atomic Self-Diffusion in Quasicrystals: A Molecular Dynamics Study

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dc.creatorRoth, Johannes
dc.creatorGaehler, Franz
dc.date1996-09-30
dc.date.accessioned2026-07-07T03:08:56Z
dc.date.available2026-07-07T03:08:56Z
dc.descriptionWe present a molecular dynamics study on atomic self-diffusion in Frank-Kasper type dodecagonal quasicrystals. It is found that the quasicrystal-specific flip mechanism for atomic diffusion as predicted by Kalugin and Katz, indeed occurs in this system. However, in order to be effective, this mechanism needs to be catalyzed by other defects such as half-vacancies if the structure is truly three-dimensional. For this reason, flip diffusion is difficult to distinguish from standard vacancy diffusion. In a quasi-two-dimensional setup, however, the flips may occur without other defects. Activation energies and flip frequencies are also determined.
dc.description6 pages, LaTeX, with 4 postscript figures
dc.identifierhttps://arxiv.org/abs/cond-mat/9609282
dc.identifierhttp://arxiv.org/abs/cond-mat/9609282
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/27692
dc.subjectCondensed Matter
dc.titleAtomic Self-Diffusion in Quasicrystals: A Molecular Dynamics Study
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