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Structural studies of a Ti–Zr–Ni quasicrystal-forming liquid

T H Kim1, G W Lee2, A K Gangopadhyay1, R W Hyers3, J R Rogers4, A I Goldman5 and K F Kelton1

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Employing the technique of electrostatic levitation coupled with high-energy x-ray diffraction, Ti39.5Zr39.5Ni21 liquids were shown previously to develop significant short-range icosahedral order with supercooling. However, that conclusion was based on the assumption of a single dominant cluster type in the liquid and the observed evolution of the high-q shoulder on the second peak in the structure factor, S(q). Here, new diffraction data that were obtained using more rapid data acquisition methods are presented. These allow structural studies to be made down to and through recalescence to the icosahedral quasicrystal. The liquid structures obtained from a Reverse Monte Carlo analysis of these data are characterized by their bond-angle distributions, Honeycutt and Andersen indices and bond orientational order parameters. These analyses indicate that while there are several different types of local order, the icosahedral short-range order is dominant and increases gradually with supercooling.


PACS

61.25.Mv Liquid metals and alloys

61.20.Ja Computer simulation of liquid structure

61.44.Br Quasicrystals

Subjects

Soft matter, liquids and polymers

Condensed matter: structural, mechanical & thermal

Dates

Issue 45 (14 November 2007)

Received 29 August 2007, in final form 30 August 2007

Published 24 October 2007



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