Growth, melting, and clustering of icosahedral quasicrystals: Monte Carlo simulations

Details of the three-dimensional Monte Carlo simulations for atomic growth (up to 106 atoms) and melting of icosahedral quasicrystals are presented. The local atomic order is supposed to be similar to that found in crystalline approximants of quasicrystals whereas the quasiperiodic long-range structure arises during the growth process according to statistical and energetical criteria. The complementary picture in the perpendicular space is found to be very informative for better understanding of quasicrystal formation. It is shown that melting of quasicrystals is accompanied by formation of large atomic clusters on the surface (the clustering is less pronounced for growth).