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Ab-Initio Energetics of Transition Metal Ordering in Decagonal Al-Co-Cu

Published

Author(s)

M Widom, I Al-Lehyani, Yijun Wang, Eric J. Cockayne

Abstract

We perform ab-initio total energy calculations for approximants to a model of decagonal A1CoCu. These calculations support previously proposed chemical ordering of Co and Cu atoms along tile edges. Preferred arrow orientations are identified and shown to obey a subset of the Penrose matching rules.
Citation
Materials Science and Engineering A-Structural Materials Properties Microstructure and Processing
Volume
294

Keywords

ab-initio, AlCOCu, decagonal quasicrystal

Citation

Widom, M. , Al-Lehyani, I. , Wang, Y. and Cockayne, E. (2000), Ab-Initio Energetics of Transition Metal Ordering in Decagonal Al-Co-Cu, Materials Science and Engineering A-Structural Materials Properties Microstructure and Processing (Accessed April 24, 2024)
Created January 20, 2000, Updated October 12, 2021