Here, E[min] corresponds to the interface energy of the GB without deformation, while E[max] corresponds to the maximum interface energy of the GB along the deformation. To obtain an accurate value of ∆E, we performed ten GB sliding simulations (with a smaller step corresponding to a displacement of 0.077 Å) between the relative displacement of 8.506 Å and 9.279 Å as shown in Figure . A lower barrier indicates greater ease of sliding and more effective stress release. However, in our current case, the sliding barrier measures 0.33 eV/ Å², which is 220 times that of the interface energy of the undeformed GB. This implies a high degree of rigidity in sliding and a consequently elevated risk of structural cracking.