Atomic Models of n Structural Variants - Overview

APPLIED PHYSICS OF CONDENSED MATTER, APCOM 2022(2023)

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摘要
The present work is focused on the overview of atomic models of en decagonal quasi crystalline approximants in the Al-Pd-Co system. Atomic structural models of the structural variants epsilon(6), epsilon(16), epsilon(22), epsilon(28) and epsilon(34) were created using abinitio calculations and/or Monte Carlo simulation. Atomic models were calculated based on the experimental results obtained by X-ray diffraction and scanning transmission electron microscopy. Good agreement was obtained between calculated and experimentally observed atomic structures of the epsilon(n) phase. The calculated data for the structural variant epsilon(28) are available in the appendix, as CIF file in text format.
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