Molecular dynamics simulation of atomic hydrogen diffusion in strained amorphous silica

Zhang Fu-Jie¹, Zhou Bao-Hua¹, Liu Xiao¹, Song Yu^{2, 3}, Zuo Xu^{1, 4, †}

(a) Calculated activation energy of hydrogen atom diffusion as a function of applied strain, and (b) reaction curve of hydrogen atom diffusion between two adjacent local energy minima at different values of strain.