Microscopic Phase Field Study on the Site Preference of Al in Ni3V: Coordination Geometry Effect


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The site occupation behavior of Al in Ni3V phase with a DO22 structure in Ni75AlxV25-x alloy was studied using the microscopic phase-field model which is based on the microscopic diffusion equations. Attribute to the coordination geometry effects, the concentration of Al are non-equal on the two non-equivalent Ni sites, and Al prefers to occupy the Nisites. However, the Al does not prefer to occupy both of the two Ni sites, because the Al concentration on V site is intermediately between that on Niand Nisite. The calculated ordering energies suggest that the site preference of alloying elements are all energetic favorable.



Edited by:

Enhou Han, Guanghong Lu and Xiaolin Shu




M. Y. Zhang et al., "Microscopic Phase Field Study on the Site Preference of Al in Ni3V: Coordination Geometry Effect", Materials Science Forum, Vol. 689, pp. 149-153, 2011

Online since:

June 2011




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