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Short- and medium-range order in Zr80Pt20 liquids

Mauro, N. A. and Wessel, V. and Bendert, J. C. and Klein, S. and Gangopadhyay, A. K. and Kramer, M. J. and Hao, S. G. and Rustan, G. E. and Kreyssig, A. and Goldman, A. I. and Kelton, K. F. (2011) Short- and medium-range order in Zr80Pt20 liquids. Physical Review B, pp. 1841091-1841098. DOI: 10.1103/PhysRevB.83.184109.

Full text not available from this repository.

Official URL: http://prb.aps.org/abstract/PRB/v83/i18/e184109

Abstract

The atomic structures in equilibrium and supercooled liquids of Zr80Pt20 were determined as a function of temperature by in situ high-energy synchrotron diffraction studies of the levitated liquids (containerless processing) using the beamline electrostatic levitation (BESL) technique. The presence of a pronounced pre-peak at q ∼ 1.7 °A^−1 in the static structure factor indicates medium-range order (MRO) in the liquid. The position and intensity of the pre-peak remain constant with cooling, indicating that the MRO is already present in the liquid above its melting temperature. An analysis of the liquid atomic structures obtained using the Reverse Monte Carlo method utilizing both the structure factor S(q) from x-ray diffraction experiments and the partial pair-correlation functions from ab initio molecular dynamics simulations show that the pre-peak arises from a Pt-Pt correlation that can be identified with icosahedral short-range order around the Pt atoms. The local atomic ordering is dominated by icosahedral-like structures, raising the nucleation barrier between the liquid and these phases, thus assisting glass formation.

Document Type:Article
Title:Short- and medium-range order in Zr80Pt20 liquids
Authors:
AuthorsInstitution or Email of Authors
Mauro, N. A.Department of Physics, Center for Materials Innovation, Washington University, St. Louis, Missouri 63130, USA
Wessel, V.ETH Zurich, Department of Materials, Zurich, Switzerland
Bendert, J. C.Department of Physics, Center for Materials Innovation, Washington University, St. Louis, Missouri 63130, USA
Klein, S.Institut für Materialphysik im Weltraum, Deutsches Zentrum für Luft- und Raumfahrt (DLR), 51170 Köln, Germany
Gangopadhyay, A. K.Department of Physics, Center for Materials Innovation, Washington University, St. Louis, Missouri 63130, USA
Kramer, M. J.Ames Laboratory and Department of Materials Science and Engineering, Iowa State University, Ames, Iowa 50011, USA
Hao, S. G.Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA
Rustan, G. E.Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA
Kreyssig, A.Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA
Goldman, A. I.Department of Physics and Astronomy, Iowa State University, Ames, Iowa 50011, USA
Kelton, K. F.Department of Physics, Center for Materials Innovation, Washington University, St. Louis, Missouri 63130, USA
Date:18 May 2011
Journal or Publication Title:Physical Review B
Refereed publication:Yes
In SCOPUS:Yes
In ISI Web of Science:Yes
DOI:10.1103/PhysRevB.83.184109
Page Range:pp. 1841091-1841098
Status:Published
Keywords:Short-range order, medium-range order, containerless processing, undercooled liquids
HGF - Research field:Aeronautics, Space and Transport (old)
HGF - Program:Space (old)
HGF - Program Themes:W FR - Forschung unter Weltraumbedingungen (old)
DLR - Research area:Space
DLR - Program:W FR - Forschung unter Weltraumbedingungen
DLR - Research theme (Project):W - Vorhaben Materialwissenschaftliche Forschung (old)
Location: Köln-Porz
Institutes and Institutions:Institute of Materials Physics in Space
Deposited By: Stefan Klein
Deposited On:25 May 2011 08:14
Last Modified:26 Mar 2013 13:29

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