Al diffusion in decagonal Al-Ni-Co and Al-Cu-Co quasicrystals was investigated. Results obtained with embedded-atom method potentials were compared with previous work on effective pair potentials. With both types of potential, strong aluminium diffusion was observed above two-thirds of the melting temperature, and the general behaviours of the system were quite similar. The diffusion constant was measured as a function of temperature and pressure, and the activation enthalpies and activation volumes were determined from the resulting Arrhenius plot. For a number of important diffusion processes, the energy barriers were determined with molecular statics simulations. The qualitative behaviour of the dynamics was also confirmed by ab initio simulations.

Molecular Dynamics Simulation of Aluminium Diffusion in Decagonal Quasicrystals. Hocker, S., Gähler, F., Brommer, P.: Philosophical Magazine, 2006, 86[6-8], 1051-7