Site preference occupation of Ni and v in Fe3Al based alloys

David Fuks; Simon Dorfman; Vlad Liubich; Larisa Kutsenko; Helmut Mehrer

doi:10.4028/0-87849-962-8.81

Site preference occupation of Ni and v in Fe₃Al based alloys

David Fuks, Simon Dorfman, Vlad Liubich, Larisa Kutsenko, Helmut Mehrer

Department of Materials Engineering

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

Abstract

Nonempirical study of the site preference occupation for Ni and V substituting in Fe₃ Al has been carried out in the framework of the coherent potential approximation. Obtained values of total energies show in a full agreement with experiments that Ni atoms in the equilibrium configuration occupy the iron sub-lattice for alloying with 5 at % of Ni in the Fe ₃Al-based alloy. Calculations of alloys with the V-doped iron aluminide in the DO₃ phase show differences in bonding and site occupation preferences in comparison with Ni doping. V atoms occupy aluminum sublattice.

Original language	English
Title of host publication	Cross-Disciplinary Applied Research in Materials Science and Technology - Proceedings of the 1st International Meeting on Applied Physics, (APHYS-2003)
Publisher	Trans Tech Publications Ltd
Pages	81-88
Number of pages	8
ISBN (Print)	0878499628, 9780878499625
DOIs	https://doi.org/10.4028/0-87849-962-8.81
State	Published - 1 Jan 2005
Event	1st International Meeting on Applied Physics, APHYS-2003 - Badajoz, Spain Duration: 13 Oct 2003 → 18 Oct 2003

Publication series

Name	Materials Science Forum
Volume	480-481
ISSN (Print)	0255-5476
ISSN (Electronic)	1662-9752

Conference

Conference	1st International Meeting on Applied Physics, APHYS-2003
Country/Territory	Spain
City	Badajoz
Period	13/10/03 → 18/10/03

Keywords

Alloying
CPA
Intermetallics
LMTO
Ni
Nonempirical calculations
V

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

Access to Document

10.4028/0-87849-962-8.81

Cite this

Fuks, D., Dorfman, S., Liubich, V., Kutsenko, L., & Mehrer, H. (2005). Site preference occupation of Ni and v in Fe₃Al based alloys. In Cross-Disciplinary Applied Research in Materials Science and Technology - Proceedings of the 1st International Meeting on Applied Physics, (APHYS-2003) (pp. 81-88). (Materials Science Forum; Vol. 480-481). Trans Tech Publications Ltd. https://doi.org/10.4028/0-87849-962-8.81

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Fuks, D, Dorfman, S, Liubich, V, Kutsenko, L & Mehrer, H 2005, Site preference occupation of Ni and v in Fe₃Al based alloys. in Cross-Disciplinary Applied Research in Materials Science and Technology - Proceedings of the 1st International Meeting on Applied Physics, (APHYS-2003). Materials Science Forum, vol. 480-481, Trans Tech Publications Ltd, pp. 81-88, 1st International Meeting on Applied Physics, APHYS-2003, Badajoz, Spain, 13/10/03. https://doi.org/10.4028/0-87849-962-8.81

Site preference occupation of Ni and v in Fe₃Al based alloys. / Fuks, David; Dorfman, Simon; Liubich, Vlad et al.
Cross-Disciplinary Applied Research in Materials Science and Technology - Proceedings of the 1st International Meeting on Applied Physics, (APHYS-2003). Trans Tech Publications Ltd, 2005. p. 81-88 (Materials Science Forum; Vol. 480-481).

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

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Fuks D, Dorfman S, Liubich V, Kutsenko L, Mehrer H. Site preference occupation of Ni and v in Fe₃Al based alloys. In Cross-Disciplinary Applied Research in Materials Science and Technology - Proceedings of the 1st International Meeting on Applied Physics, (APHYS-2003). Trans Tech Publications Ltd. 2005. p. 81-88. (Materials Science Forum). doi: 10.4028/0-87849-962-8.81