Atomic correlations in AlCo decagonal approximant phases

Mike Widom and Eric Cockayne

Physica A: Statistical Mechanics and its Applications, 1996, vol. 232, issue 3, 713-722

Abstract: Many distinct phases of aluminum cobalt alloys occur in a narrow composition range near Al3Co. We compare the distribution functions of these structures with pair potentials calculated for this binary alloy. Both the Al Co and the Co Co distributions display strong modulations out to distances of beyond 10 Å, while the Al Al distributions approach a constant beyond a few Angstroms. Radial distribution functions peaks generally fall in the vicinity of pair potential minima. We show how energetically favorable interatomic spacings relate to local atomic arrangements in a cluster known as a pentagonal bipyramid. Filling space with this cluster suggests a possible tiling model for the decagonal phase.

Date: 1996
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:232:y:1996:i:3:p:713-722

DOI: 10.1016/0378-4371(96)00179-3

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