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Site occupancies in ternary C15 ordered Laves phases

Technical Report ·
DOI:https://doi.org/10.2172/441755· OSTI ID:441755
; ; ;  [1]; ;  [2]
  1. Los Alamos National Lab., NM (United States). Materials Science and Technology Div.
  2. Oak Ridge National Lab., TN (United States). Metals and Ceramics Div.
Site occupancies in three C15-structured AB{sub 2}(X) Laves phases have been determined by Atom Location by CHanneling Enhanced MIcroanalysis (ALCHEMI). In NbCr{sub 2}(V), the results were 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 is not expected from atom size effects alone. In NbCr{sub 2}(Ti), the results were consistent with Ti partitioning mostly to the A sites with some anti-site defects likely. In HfV{sub 2}(Nb), the results were consistent with Nb partitioning between the A and B sites. The results of the ALCHEMI analyses of these ternary C15 Laves phase materials will be discussed with respect to previously determined phase diagrams and first-principles total energy and electronic structure calculations.
Research Organization:
Los Alamos National Lab., NM (United States)
Sponsoring Organization:
USDOE Assistant Secretary for Human Resources and Administration, Washington, DC (United States)
DOE Contract Number:
W-7405-ENG-36
OSTI ID:
441755
Report Number(s):
LA-UR--96-4068; CONF-961202--30; ON: DE97001690
Country of Publication:
United States
Language:
English

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