Site occupancies in ternary C15 ordered Laves phases

P. G. Kotula; I. M. Anderson; F. Chu; D. J. Thoma; J. Bentley; T. E. Mitchell

Site occupancies in ternary C15 ordered Laves phases

P. G. Kotula
, I. M. Anderson
, F. Chu
, D. J. Thoma
, J. Bentley
, T. E. Mitchell

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

8 Scopus citations

Abstract

Site occupancies in three C15-structured AB2(X) Laves phases have been determined with Atom Location by CHanneling Enhanced MIcroanalysis (ALCHEMI). In NbCr2(V), the results are consistent with exclusive site occupancies of Nb for the A sublattice and Cr and V for the B sublattice. The B-site occupancy of V can be interpreted in terms of electronic structure. In NbCr2(Ti), the results are consistent with Ti partitioning mostly to the A sites with some anti-site defects likely. In HfV2(Nb), the results are consistent with Nb partitioning between the A and B sites. The results of the ALCHEMI analyses of these ternary C15 Laves phase materials are discussed with respect to previously determined phase diagrams and first-principles total energy and electronic structure calculations.

Original language	English
Title of host publication	Materials Research Society Symposium - Proceedings
Pages	617-622
Number of pages	6
Volume	460
State	Published - Jan 1 1997
Externally published	Yes

Cite this

@inproceedings{48f9af212c1a4707b2a92db3a1765bce,

title = "Site occupancies in ternary C15 ordered Laves phases",

abstract = "Site occupancies in three C15-structured AB2(X) Laves phases have been determined with Atom Location by CHanneling Enhanced MIcroanalysis (ALCHEMI). In NbCr2(V), the results are consistent with exclusive site occupancies of Nb for the A sublattice and Cr and V for the B sublattice. The B-site occupancy of V can be interpreted in terms of electronic structure. In NbCr2(Ti), the results are consistent with Ti partitioning mostly to the A sites with some anti-site defects likely. In HfV2(Nb), the results are consistent with Nb partitioning between the A and B sites. The results of the ALCHEMI analyses of these ternary C15 Laves phase materials are discussed with respect to previously determined phase diagrams and first-principles total energy and electronic structure calculations.",

author = "Kotula, \{P. G.\} and Anderson, \{I. M.\} and F. Chu and Thoma, \{D. J.\} and J. Bentley and Mitchell, \{T. E.\}",

year = "1997",

month = jan,

day = "1",

language = "English",

volume = "460",

pages = "617--622",

booktitle = "Materials Research Society Symposium - Proceedings",

}

TY - GEN

T1 - Site occupancies in ternary C15 ordered Laves phases

AU - Kotula, P. G.

AU - Anderson, I. M.

AU - Chu, F.

AU - Thoma, D. J.

AU - Bentley, J.

AU - Mitchell, T. E.

PY - 1997/1/1

Y1 - 1997/1/1

N2 - Site occupancies in three C15-structured AB2(X) Laves phases have been determined with Atom Location by CHanneling Enhanced MIcroanalysis (ALCHEMI). In NbCr2(V), the results are consistent with exclusive site occupancies of Nb for the A sublattice and Cr and V for the B sublattice. The B-site occupancy of V can be interpreted in terms of electronic structure. In NbCr2(Ti), the results are consistent with Ti partitioning mostly to the A sites with some anti-site defects likely. In HfV2(Nb), the results are consistent with Nb partitioning between the A and B sites. The results of the ALCHEMI analyses of these ternary C15 Laves phase materials are discussed with respect to previously determined phase diagrams and first-principles total energy and electronic structure calculations.

AB - Site occupancies in three C15-structured AB2(X) Laves phases have been determined with Atom Location by CHanneling Enhanced MIcroanalysis (ALCHEMI). In NbCr2(V), the results are consistent with exclusive site occupancies of Nb for the A sublattice and Cr and V for the B sublattice. The B-site occupancy of V can be interpreted in terms of electronic structure. In NbCr2(Ti), the results are consistent with Ti partitioning mostly to the A sites with some anti-site defects likely. In HfV2(Nb), the results are consistent with Nb partitioning between the A and B sites. The results of the ALCHEMI analyses of these ternary C15 Laves phase materials are discussed with respect to previously determined phase diagrams and first-principles total energy and electronic structure calculations.

UR - https://www.scopus.com/pages/publications/0030653861

M3 - Conference contribution

VL - 460

SP - 617

EP - 622

BT - Materials Research Society Symposium - Proceedings

ER -

Site occupancies in ternary C15 ordered Laves phases

Abstract

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