Experimental and theoretical investigations of order-disorder in Cu2AlMn

R. McCormack; M. Asta; J. J. Hoyt; B. C. Chakoumakos; S. T. Misture; J. D. Althoff; D. D. Johnson

doi:10.1016/s0927-0256(97)00014-1

Experimental and theoretical investigations of order-disorder in Cu₂AlMn

R. McCormack, M. Asta, J. J. Hoyt, B. C. Chakoumakos, S. T. Misture, J. D. Althoff, D. D. Johnson

Single Crystal Diffraction

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7 Scopus citations

Abstract

A combination of X-ray and neutron powder diffraction has been used to measure the two long range order parameters vs. temperature below the disorder-B2 transition in the ternary alloy Cu₂AlMn. The results indicate that at temperatures just below the critical point the Al + Mn sublattice is enriched in Al. First-principles calculations based on only the atomic numbers of Cu, Mn and Al support the experimentally-observed preference of Al for the Al + Mn sublattice, and reveal the interplay between the constituent binary systems that gives rise to this behavior.

Original language	English
Pages (from-to)	39-45
Number of pages	7
Journal	Computational Materials Science
Volume	8
Issue number	1-2
DOIs	https://doi.org/10.1016/s0927-0256(97)00014-1
State	Published - May 1997

Funding

RPM was supported by a National Research Council PostdoctoralFellowship. Work at Sandia was supportedb y the U.S. DOE, Office of Basic Energy Sciences, Division of Materials Science under contract No. DE-AC04-94AL85000. J.J.H. was supported by the National Science Foundation under contract No. DMR 9301220. The Oak Ridge National Laboratory (ORNL) is operatedb y Lockheed Martin Research Corporation for the U. S. Department of Energy (DOE) under Contract No. DE-AC05960R22464. The X-ray work was sponsored by the Assistant Secretaryf or Energy Efficiency and Renewable Energy, Office of Transportation Technologies, as part of the High TemperatureM aterials Lab (ORNL). STM was supported in part by an appointment to the ORNL Postdoctoral Research Associates Program administeredj ointly by ORNL and ORISE.

Funders	Funder number
Division of Materials Science
Office of Basic Energy Sciences
Office of Transportation Technologies
U. S. Department of Energy
U.S. DOE
National Science Foundation
U.S. Department of Energy
Office of Energy Efficiency and Renewable Energy
Oak Ridge National Laboratory
Oak Ridge Institute for Science and Education
National Research Council

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abstract = "A combination of X-ray and neutron powder diffraction has been used to measure the two long range order parameters vs. temperature below the disorder-B2 transition in the ternary alloy Cu2AlMn. The results indicate that at temperatures just below the critical point the Al + Mn sublattice is enriched in Al. First-principles calculations based on only the atomic numbers of Cu, Mn and Al support the experimentally-observed preference of Al for the Al + Mn sublattice, and reveal the interplay between the constituent binary systems that gives rise to this behavior.",

author = "R. McCormack and M. Asta and Hoyt, {J. J.} and Chakoumakos, {B. C.} and Misture, {S. T.} and Althoff, {J. D.} and Johnson, {D. D.}",

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AU - McCormack, R.

AU - Asta, M.

AU - Hoyt, J. J.

AU - Chakoumakos, B. C.

AU - Misture, S. T.

AU - Althoff, J. D.

AU - Johnson, D. D.

PY - 1997/5

Y1 - 1997/5

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AB - A combination of X-ray and neutron powder diffraction has been used to measure the two long range order parameters vs. temperature below the disorder-B2 transition in the ternary alloy Cu2AlMn. The results indicate that at temperatures just below the critical point the Al + Mn sublattice is enriched in Al. First-principles calculations based on only the atomic numbers of Cu, Mn and Al support the experimentally-observed preference of Al for the Al + Mn sublattice, and reveal the interplay between the constituent binary systems that gives rise to this behavior.

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JO - Computational Materials Science

JF - Computational Materials Science

IS - 1-2

ER -

Experimental and theoretical investigations of order-disorder in Cu₂AlMn

Abstract

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