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• W3102238377 abstract "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 Å 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. (K. Sugiyama, S. Nishimura and K. Hiraga, J. Alloy Comp. 342 65 (2002))." @default.
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• W3102238377 date "2007-12-01" @default.
• W3102238377 modified "2023-09-25" @default.
• W3102238377 title "Energy-based structure prediction ford(Al70Co20Ni10)" @default.
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• W3102238377 doi "https://doi.org/10.1080/09500830701581775" @default.
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