… Quasicrystals are metal alloys whose noncrystallographic … to predict the structure of a
decagonal quasicrystal from first-… a limited amount of experimental structural data. The resulting …

… The following features of the d(AlNiCo) structures are evident … We construct trial quasicrystal
structures that achieve low … of structures, including all reasonable quasicrystal structures. …

… We represent the quasicrystal structure as a decoration of disjoint tiles. There are several
reasons for doing so, rather than as a irrational cut through a five-dimensional hypercrystal. …

… Quasicrystals are metal alloys whose … methods of structure determination. We employ
quantumbased total-energy calculations to predict the structure of a decagonal quasicrystal from …

… Here, we perform first-principles calculations on quasicrystal … high confidence that the
icosahedral quasicrystals ScZn7.33 and YbCd5.… Although we find the ScZn7.33 quasicrystal to be …

… structural periodicity challenge methods of both experimental structure determination and
theoretical structural prediction. … to predict the structure of a decagonal quasicrystal from nearly …

… the established structures of Al-rich decagonal quasicrystals [… ; (3) we predict both structure
and existence from first principles… Given our quasicrystal model we study structural stability by …

… Widom and co-workers (personal communication) have completed a total-energy-based
prediction of the structure of AlNiCo, making no prior assumption about the existence of …

… approximation for quasilattice and each … total-energy-based structure of decagonal Al–
Co–Ni. Open and filled circles denote the composition at which the HBS and HBS+D structures …

… By calculating the Gibbs free energy, we predict the quasicrystal to be entropically stabilized
at elevated temperatures. This conclusion is consistent with experimental evidence that the …