First-principles study of the effect of nitrogen vacancies on the decomposition pattern in cubic Ti1-xAlxN1-y [Elektronisk resurs]

Original Publication: Björn Alling, A. Karimi, Lars Hultman and Igor Abrikosov, First-principles study of the effect of nitrogen vacancies on the decomposition pattern in cubic Ti1-xAlxN1-y, 2008, Applied Physics Letters, (92), 071903-1-071903-3. http://dx.doi.org/10.1063/1.2838747 Copyright: American Institute of Physics http://www.aip.org/
Published
gratis
The effect of nitrogen substoichiometry on the isostructural phase stabilities of the cubic Ti 1− x Al x N 1− y system has been investigated using first-principles calculations. The preferred isostructural decomposition pattern in these metastable solid solutions was predicted from the total energy calculations on a dense concentration grid. Close to the stoichiometric Ti 1− x Al x N 1 limit, N vacancies increase the tendency for phase separation as N sticks to Al while the vacancies prefers Ti neighbors. For nitrogen depleated conditions, N sticks to Ti forming TiN (0< <1) while Al tends to form nitrogen-free fcc-Al or Al–Ti alloys.

Inställningar Hjälp

Beståndsinformation saknas

Fler titlar av: Alling, Björn 1980-; Karimi, A.; Hultman, Lars 1960-; Abrikosov, Igor 1965 ...; Linköpings universit ...; Linköpings universit ...; visa fler...; visa färre...
Fler titlar om: Natural Sciences; Naturvetenskap; NATURAL SCIENCES; NATURVETENSKAP
Värdpublikation: Applied Physics Lett ...; Fler artiklar

Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.