Random Cluster Model for Icosahedral Phase AlMnSi

摘要: Results are presented on a computer generated model of A1MnSi. Atomic clusters consisting 12 Mn and 42 Al(Si) atoms randomly packed to form continuous random network while placing constraints the allowed local cluster configurations. The topological characteristics explored in both R‖ R⊥ space including an examination phason disorder. Preliminary X-ray neutron diffraction patterns calculated for comparison with experimental intensity data. origin peak at Q=1.62A−1, associated prepeak found “amorphous” A1MnSi, as well “diffuse” scattering seen experimentally under groups strong peaks, revealed selectively partial intensities Al-Al, Mn-Mn, Mn-Al correlations.