First-principles study of structural, mechanical, and electronic properties of W alloying with Zr
Zhang Ning-Ning1, Zhang Yu-Juan1, †, Yang Yu2, Zhang Ping2, Ge Chang-Chun1, ‡
       

Schematic representation of energetically the most favorable atomic arrangements of the bcc W1−xZrx (x = 0.0625, 0.125, 0.25 and 0.5) in a 2×2×2 supercell. Small purple and large yellow balls represent W and Zr atoms, respectively.