Energy of Small Angle Tilt Boundary in Al

The critical inconsistency on the small angle boundary energy between the theoretical prediction of Read-Shockley model and the experimental results was discussed. The plots of the ratio between boundary energy E and the tilt angle θ against log θ show different tendency between the EAM simulated and the experimental results. The first principles calculations on the small angle tilt boundary energy on Al ⟨100⟩ direction were performed. Still the calculation sizes of the model are limited, the obtained values are located between the EAM simulated and the experimetal results.