Fig. 1. Kinetic information of the Σ25(034) GB. Diffusion barrier distribution, three-dimensional diffusion vector distribution and two-dimensional diffusion vector distribution for 〈110〉 dumbbell (a-c) and vacancy (d-f), respectively. The color bars in b, c, e, and f represent the diffusion barrier value, and the arrows represent diffusion orientations. The yellow region in b and e shows the GB plane. The solid black spheres in b and e, and empty squares close to the GB in c and f represent the atomic absorption positions (For interpretation of the references to color in this figure legend, the reader is referred to the web version of this article.).

Fig. 2. Lifetime and capture efficiency. The dumbbell and vacancy case in Σ25(034) GB is illustrated as an example. (a,b) shows the lifetime for the 10 nm grain size at 300 K by the KMC simulations. The colored points represent the distance from different PDs to the GB plane. (c,d) shows capture efficiency as a function of temperature and grain size.

Fig. 3. Relationship between strain width and capture efficiency. Both 〈100〉 and 〈110〉 GBs are introduced to show the capture efficiency of 30 nm systems at 300 K. (a1-a6) represent the 〈110〉 family GBs and (b1-b8) represent the 〈100〉 family GBs. The 14 insertions show the strain field at the GB plane for the different GB types. The color bar shows the strain value distribution from -5×10-5 to 5×10-5. The arrow with the gradient shows a positive correlation between the width of the strain region and the capture efficiency.

Fig. 4. Capture efficiency and sink strength in 600 K. (a) and (b) show the relationship between the grain size and capture efficiency for both dumbbells and vacancies, including different 〈100〉 and 〈110〉 GBs. (c) and (d) shows the relationship between L-2 (L is the grain size of GB) and sink strength for both dumbbell and vacancy, including different 〈100〉 and 〈110〉 GBs. The dashed lines represent the relationship between L and sink strength in the classic SRT model and modified model.

Fig. 5. (a) relationship between bias and grain size for both 〈100〉 and 〈110〉 GBs at 300 K. The inset in (a) represents the relationship between bias, temperature, and grain size for Σ25(034). (b) shows the bias for different GB types, 30 nm in grain size at 600 K.