Journal
PHILOSOPHICAL MAGAZINE LETTERS
Volume 90, Issue 9, Pages 683-688Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/09500839.2010.495356
Keywords
cluster formula; alloy phase; Al-Ni-Zr; crystallography
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Funding
- National Fundamental Research Program [2007CB613902]
- Natural Science Foundation of China [50901012, 50631010]
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Composition formulae for alloy phases are developed using first-neighbour coordination polyhedra plus their connections. The resultant cluster formulae [cluster](glue atom)(x), similar to molecular formulae for chemicals, contain key structural and composition information on the alloy phases. As examples, Al-Ni-Zr alloy phases are analysed with the objective of revealing cluster formula properties such as the principal cluster, the cluster phase and the definition of complex alloy phases.
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