Ternary site preference energies, size misfits and solid solution hardening in NiAl and FeAl

N. I. Medvedeva, Yu N. Gornostyrev, D. L. Novikov, O. N. Mryasov, Arthur J Freeman

Research output: Contribution to journalArticle

136 Citations (Scopus)

Abstract

The electronic structure of NiAl and FeAl doped with Ti, V, Cr, Mn, Fe, Co, Y, La and Zr additions in both sublattices has been investigated with the local density linear muffin-tin orbital (LMTO) method. The peculiarities of chemical bonding for both undoped and with some ternary additions in NiAl and FeAl were analyzed using the LMTO-Green function method. The preferred sites for ternary additions were found and the sensitivity of site preference energies to crystal relaxation effects was investigated. It was shown that the relaxation has an elastic nature and the values of size misfit parameters for substitutional impurities were estimated. The experimental data concerning solid solution hardening were reanalyzed and the additional contributions to hardening besides the conventional size misfit mechanism were shown to be of importance for Ti ternary additions.

Original languageEnglish
Pages (from-to)3433-3442
Number of pages10
JournalActa Materialia
Volume46
Issue number10
Publication statusPublished - Jun 12 1998

Fingerprint

Tin
Hardening
Solid solutions
Green's function
Electronic structure
Impurities
Crystals

ASJC Scopus subject areas

  • Materials Science(all)
  • Electronic, Optical and Magnetic Materials
  • Metals and Alloys

Cite this

Medvedeva, N. I., Gornostyrev, Y. N., Novikov, D. L., Mryasov, O. N., & Freeman, A. J. (1998). Ternary site preference energies, size misfits and solid solution hardening in NiAl and FeAl. Acta Materialia, 46(10), 3433-3442.

Ternary site preference energies, size misfits and solid solution hardening in NiAl and FeAl. / Medvedeva, N. I.; Gornostyrev, Yu N.; Novikov, D. L.; Mryasov, O. N.; Freeman, Arthur J.

In: Acta Materialia, Vol. 46, No. 10, 12.06.1998, p. 3433-3442.

Research output: Contribution to journalArticle

Medvedeva, NI, Gornostyrev, YN, Novikov, DL, Mryasov, ON & Freeman, AJ 1998, 'Ternary site preference energies, size misfits and solid solution hardening in NiAl and FeAl', Acta Materialia, vol. 46, no. 10, pp. 3433-3442.
Medvedeva NI, Gornostyrev YN, Novikov DL, Mryasov ON, Freeman AJ. Ternary site preference energies, size misfits and solid solution hardening in NiAl and FeAl. Acta Materialia. 1998 Jun 12;46(10):3433-3442.
Medvedeva, N. I. ; Gornostyrev, Yu N. ; Novikov, D. L. ; Mryasov, O. N. ; Freeman, Arthur J. / Ternary site preference energies, size misfits and solid solution hardening in NiAl and FeAl. In: Acta Materialia. 1998 ; Vol. 46, No. 10. pp. 3433-3442.
@article{cddb3ecc48934718ba2e94d997213964,
title = "Ternary site preference energies, size misfits and solid solution hardening in NiAl and FeAl",
abstract = "The electronic structure of NiAl and FeAl doped with Ti, V, Cr, Mn, Fe, Co, Y, La and Zr additions in both sublattices has been investigated with the local density linear muffin-tin orbital (LMTO) method. The peculiarities of chemical bonding for both undoped and with some ternary additions in NiAl and FeAl were analyzed using the LMTO-Green function method. The preferred sites for ternary additions were found and the sensitivity of site preference energies to crystal relaxation effects was investigated. It was shown that the relaxation has an elastic nature and the values of size misfit parameters for substitutional impurities were estimated. The experimental data concerning solid solution hardening were reanalyzed and the additional contributions to hardening besides the conventional size misfit mechanism were shown to be of importance for Ti ternary additions.",
author = "Medvedeva, {N. I.} and Gornostyrev, {Yu N.} and Novikov, {D. L.} and Mryasov, {O. N.} and Freeman, {Arthur J}",
year = "1998",
month = "6",
day = "12",
language = "English",
volume = "46",
pages = "3433--3442",
journal = "Acta Materialia",
issn = "1359-6454",
publisher = "Elsevier Limited",
number = "10",

}

TY - JOUR

T1 - Ternary site preference energies, size misfits and solid solution hardening in NiAl and FeAl

AU - Medvedeva, N. I.

AU - Gornostyrev, Yu N.

AU - Novikov, D. L.

AU - Mryasov, O. N.

AU - Freeman, Arthur J

PY - 1998/6/12

Y1 - 1998/6/12

N2 - The electronic structure of NiAl and FeAl doped with Ti, V, Cr, Mn, Fe, Co, Y, La and Zr additions in both sublattices has been investigated with the local density linear muffin-tin orbital (LMTO) method. The peculiarities of chemical bonding for both undoped and with some ternary additions in NiAl and FeAl were analyzed using the LMTO-Green function method. The preferred sites for ternary additions were found and the sensitivity of site preference energies to crystal relaxation effects was investigated. It was shown that the relaxation has an elastic nature and the values of size misfit parameters for substitutional impurities were estimated. The experimental data concerning solid solution hardening were reanalyzed and the additional contributions to hardening besides the conventional size misfit mechanism were shown to be of importance for Ti ternary additions.

AB - The electronic structure of NiAl and FeAl doped with Ti, V, Cr, Mn, Fe, Co, Y, La and Zr additions in both sublattices has been investigated with the local density linear muffin-tin orbital (LMTO) method. The peculiarities of chemical bonding for both undoped and with some ternary additions in NiAl and FeAl were analyzed using the LMTO-Green function method. The preferred sites for ternary additions were found and the sensitivity of site preference energies to crystal relaxation effects was investigated. It was shown that the relaxation has an elastic nature and the values of size misfit parameters for substitutional impurities were estimated. The experimental data concerning solid solution hardening were reanalyzed and the additional contributions to hardening besides the conventional size misfit mechanism were shown to be of importance for Ti ternary additions.

UR - http://www.scopus.com/inward/record.url?scp=0032083886&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0032083886&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0032083886

VL - 46

SP - 3433

EP - 3442

JO - Acta Materialia

JF - Acta Materialia

SN - 1359-6454

IS - 10

ER -