fig11

Figure 11. Atomic structure of high-angle tilt grain boundaries predicted from DeePMD, where red, green, and white atoms represent HCP, FCC, and other structures, respectively. The tilt angle 2θ is (A) 66°, (B) 136°, (C) 89°, (D) 102°, (E) 125°, (F) 135°, (G) 151°, (H) 157°, and (I) 167°. DeePMD: Deep Potential molecular dynamics; HCP: hexagonal close-packed; FCC: face-centered cubic.