Co-energy of surface and grain boundary in Ag film

Atomistic simulation of the vacancy diffusion in (001) surface of MoTa alloy

“…In this paper, both the formation and migration energies of a single Mo or Ta vacancy diffusion intra-and inter-layer in an extension region of MoTa (0 0 1) surface have been investigated by using the many-body potential model of the modified analytical embedded-atom method (MAEAM) modified by Zhang et al [10,11] from the analytical embedded-atom method (AEAM) of Johnson [12]. In our previous papers, the MAEAM has been used successfully to investigate the surface adsorption [13,14], surface segregation [15], surface energy [16,17], interface energy [18,19] and grain boundary energy [20][21][22][23][24] as well as the bulk diffusion in a few alloy systems [25][26][27].…”