Year: 1996
Type: preprint
Abstract: 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.
Source: arXiv (Cornell University)
Authors: Roth, Johannes, Gaehler, Franz
Institution: University of Stuttgart
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
Award: G222768804
OpenAlex ID: W2950450641