fig4
Figure 4. Comparison of the E-V scaling relationships for binary W-Re alloy configurations calculated using the Rose equation and reference DFT methods. The horizontal axes show the relative volume (V/V0), and the vertical axes represent the energy (eV/atom), confirming the generalizability of the Rose equation to multi-component systems. (A) W-10 %Re disordered BCC solid solution structure; (B) W-Re B2 virtual ordered phase structure; (C) W-Re precipitated σ-phase structure; (D) W-Re precipitated χ-phase structure. E-V: Energy-volume; DFT: density functional theory; BCC: body-centered cubic.
