Total-energy-based structure prediction for d(AlNiCo)
نویسندگان
چکیده
منابع مشابه
Total-energy-based prediction of a quasicrystal structure
Quasicrystals are metal alloys whose noncrystallographic symmetry and lack of structural periodicity challenge methods of experimental structure determination. Here we employ quantum-based total-energy calculations to predict the structure of a decagonal quasicrystal from first principles considerations. We employ Monte Carlo simulations, taking as input the knowledge that a decagonal phase occ...
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ژورنال
عنوان ژورنال: Journal of Alloys and Compounds
سال: 2002
ISSN: 0925-8388
DOI: 10.1016/s0925-8388(02)00199-8