ISSN:
1662-9752
Source:
Scientific.Net: Materials Science & Technology / Trans Tech Publications Archiv 1984-2008
Topics:
Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
Notes:
Site occupancies of ternary additions (Ti, V, and W) in the C15 ZrCr2 and NbCr2 Lavesphases were predicted theoretically by first-principles calculations based on density functional theory.The results suggest that Ti preferentially occupies the Zr and Nb sites in ZrCr2 and NbCr2,respectively. V and W substitute the Cr sites in both ZrCr2 and NbCr2. The calculations of heats offormation also show that the occupancy of W on the Cr sites and of Ti on the Zr sites stabilize ZrCr2.For NbCr2, the occupancy of V on the Cr sites and of Ti on the Nb sites increases the phase stability
Type of Medium:
Electronic Resource
URL:
http://www.tib-hannover.de/fulltexts/2011/0528/02/16/transtech_doi~10.4028%252Fwww.scientific.net%252FMSF.546-549.1451.pdf
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