Energy-based Structure Prediction for d(Al70Co20Ni10)
  We use energy minimization principles to predict the structure of a decagonal quasicrystal - d(AlCoNi) - in the Cobalt-rich phase. Monte Carlo methods are then used to explore configurations while relaxation and molecular dynamics are used to obtain a more realistic structure once a low energy configuration has been found. We find five-fold symmetric decagons 12.8 A in diameter as the characteristic formation of this composition, along with smaller pseudo-five-fold symmetric clusters filling the spaces between the decagons. We use our method to make comparisons with a recent experimental approximant structure model from Sugiyama et al (2002). 
Nan Gu (1,2), M. Mihalkovic (1,3), and C. L. Henley (1) ((1) Cornell   U. (2) current M.I.T., (3) perm.Slovak Acad.Sci.)