1996/09/30 by Johannes Roth, Roth, Johannes, Franz Gaehler +1
Earth and Planetary Sciences · Materials Science · Physics and Astronomy · #Condensed Matter (cond-mat) #FOS: Physical sciences #Phase-change materials and chalcogenides #Quasicrystal Structures and Properties #cond-mat #nanoparticles nucleation surface interactions
paper · pdf · doi:10.48550/arxiv.cond-mat/9609282
6 pages, LaTeX, with 4 postscript figures
arxiv created 1996/09/30 · openalex publication_date 1996/09/30 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We 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.