A new binary decagonal Frank-Kasper quasicrystal phase
نویسندگان
چکیده
A structure model of atoms of two sizes, interacting with Lennard-Jones potentials and simulated by molecular dynamics, was observed to freeze into a decagonal quasicrystal dominated by Frank-Kasper coordination shells and closely related to the Henley-Elser model for icosahedral quasicrystals. Idealized structure models can be described as decorations of triangle-rectangle and rhombus tilings. Equilibrium properties of the idealized model have been determined by molecular dynamics simulations and a high stability of the model and a low jump rate of the atoms have also been observed. PACS: 61.44.Br, 61.50.Ah, 61.43.Bn preprint ITAP-3/96-1
منابع مشابه
Quasicrystal approximants with novel compositions and structures
We identify several new quasicrystal approximants in alloy systems in which quasicrystals have not been previously reported. Some occur in alloys with large size contrast between the constituent elements, either containing small Boron atoms, or large Ca/Eu atoms, leading to quasicrystal structures quite different from currently known systems where the size contrast is smaller. Another group of ...
متن کاملnovel compositions and structures
We identify several new quasicrystal approximants in alloy systems in which quasicrystals have not been previously reported. Some occur in alloys with large size contrast between the constituent elements, either containing small Boron atoms, or large Ca/Eu atoms, leading to quasicrystal structures quite different from currently known systems where the size contrast is smaller. Another group of ...
متن کاملThe quasiperiodic average structure of highly disordered decagonal Zn-Mg-Dy and its temperature dependence.
A single-crystal X-ray diffraction structure analysis of decagonal Zn-Mg-Dy, a Frank-Kasper-type quasicrystal, was performed using the higher-dimensional approach. For this first Frank-Kasper (F-K) decagonal quasicrystal studied so far, significant differences to the decagonal Al-TM-based (TM: transition metal) phases were found. A new type of twofold occupation domain is located on certain edg...
متن کاملAtomic self-di usion in dodecagonal quasicrystalsa
A molecular dynamics study of atomic self-diiusion in Frank-Kasper type do-decagonal quasicrystals is presented. It is found that the quasicrystal-speciic ip mechanism for atomic diiusion, predicted by Kalugin and Katz, indeed occurs in this system. However, in order to be eeective, this mechanism needs to be catalyzed by other defects, such as half-vacancies. For this reason, it is diicult to ...
متن کاملFirst-principles prediction of a decagonal quasicrystal containing boron.
We interpret experimentally known B-Mg-Ru crystals as quasicrystal approximants whose deterministic decoration of tiles by atoms can be extended quasiperiodically. Experimentally observed disorder corresponds to phason fluctuations. First-principles total energy calculations find many distinct tilings close to stability and suggest a phase transition from a crystalline state at low temperatures...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 1997