Phase stability and site substitution in Nb-Al compounds

M. Sluiter; M. Takahashi; Yoshiyuki Kawazoe

Phase stability and site substitution in Nb-Al compounds

M. Sluiter, M. Takahashi, Yoshiyuki Kawazoe

New Industry Creation Hatchery Center (NICHe)

Research output: Contribution to journal › Conference article › peer-review

Abstract

The site preferences of Ta, Mo, and W in A15 Nb₃Al, the phase stability of off-stoichiometric A15 Nb₃Al, and the atomic order of the Nb₂Al D8_b (σ) phase are investigated by performing electronic structure calculations based on the local density approximation. Mo, W, and Ta are found to have a preference for the Nb sublattice. Ta has the strongest site preference. It was shown that some recently proposed ground states for off-stoichiometric A15 phases are unlikely to occur in the Nb-Al system. Moreover, it was shown that the atomic order in the D8_b Nb₂Al phase contributes significantly to its stability.

Original language	English
Pages (from-to)	1111-1116
Number of pages	6
Journal	Materials Research Society Symposium - Proceedings
Volume	364
Issue number	2
Publication status	Published - 1995 Jan 1
Event	Proceedings of the 1994 MRS Fall Meeting - Boston, MA, USA Duration: 1994 Nov 28 → 1994 Nov 30

ASJC Scopus subject areas

Materials Science(all)
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

Cite this

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title = "Phase stability and site substitution in Nb-Al compounds",

abstract = "The site preferences of Ta, Mo, and W in A15 Nb3Al, the phase stability of off-stoichiometric A15 Nb3Al, and the atomic order of the Nb2Al D8b (σ) phase are investigated by performing electronic structure calculations based on the local density approximation. Mo, W, and Ta are found to have a preference for the Nb sublattice. Ta has the strongest site preference. It was shown that some recently proposed ground states for off-stoichiometric A15 phases are unlikely to occur in the Nb-Al system. Moreover, it was shown that the atomic order in the D8b Nb2Al phase contributes significantly to its stability.",

author = "M. Sluiter and M. Takahashi and Yoshiyuki Kawazoe",

year = "1995",

month = jan,

day = "1",

language = "English",

volume = "364",

pages = "1111--1116",

journal = "Materials Research Society Symposium - Proceedings",

issn = "0272-9172",

publisher = "Materials Research Society",

number = "2",

note = "Proceedings of the 1994 MRS Fall Meeting ; Conference date: 28-11-1994 Through 30-11-1994",

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TY - JOUR

T1 - Phase stability and site substitution in Nb-Al compounds

AU - Sluiter, M.

AU - Takahashi, M.

AU - Kawazoe, Yoshiyuki

PY - 1995/1/1

Y1 - 1995/1/1

N2 - The site preferences of Ta, Mo, and W in A15 Nb3Al, the phase stability of off-stoichiometric A15 Nb3Al, and the atomic order of the Nb2Al D8b (σ) phase are investigated by performing electronic structure calculations based on the local density approximation. Mo, W, and Ta are found to have a preference for the Nb sublattice. Ta has the strongest site preference. It was shown that some recently proposed ground states for off-stoichiometric A15 phases are unlikely to occur in the Nb-Al system. Moreover, it was shown that the atomic order in the D8b Nb2Al phase contributes significantly to its stability.

AB - The site preferences of Ta, Mo, and W in A15 Nb3Al, the phase stability of off-stoichiometric A15 Nb3Al, and the atomic order of the Nb2Al D8b (σ) phase are investigated by performing electronic structure calculations based on the local density approximation. Mo, W, and Ta are found to have a preference for the Nb sublattice. Ta has the strongest site preference. It was shown that some recently proposed ground states for off-stoichiometric A15 phases are unlikely to occur in the Nb-Al system. Moreover, it was shown that the atomic order in the D8b Nb2Al phase contributes significantly to its stability.

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UR - http://www.scopus.com/inward/citedby.url?scp=0029231495&partnerID=8YFLogxK

M3 - Conference article

AN - SCOPUS:0029231495

SN - 0272-9172

VL - 364

SP - 1111

EP - 1116

JO - Materials Research Society Symposium - Proceedings

JF - Materials Research Society Symposium - Proceedings

IS - 2

T2 - Proceedings of the 1994 MRS Fall Meeting

Y2 - 28 November 1994 through 30 November 1994

ER -

Phase stability and site substitution in Nb-Al compounds

Abstract

ASJC Scopus subject areas

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