First-principles studies of effects of interstitial boron and carbon on the structural, elastic, and electronic properties of Ni solution and Ni<sub>3</sub>Al intermetallics

First-principles studies of effects of interstitial boron and carbon on the structural, elastic, and electronic properties of Ni solution and Ni₃Al intermetallics

Huang Meng-Li, Wang Chong-Yu^†,

Unit cells of (a) fcc Ni and (b) L1₂Ni₃Al. The blue and pink spheres represent the Ni and Al atoms, respectively, and the regions bounded by the dashed lines of the same color represent the octahedral interstices. The serial numbers 1 and 2 indicate the positions of the interstices 1 and 2, respectively.