Figure 4
From: Unravelling oxygen driven α to β phase transformation in tungsten
The optimized configurations obtained from ab initio MD simulations of (a) 3 × 3 × 3 supercell of α-W with 10 O, (b) 2 × 2 × 2 supercell of β-W with 12 O, (c) 3 × 3 × 3 supercell of α-W with 34 O, and (d) 2 × 2 × 1 supercell of β-W with 20 O. Green and red spheres represent W and oxygen atoms, respectively.
