The relation of mechanical properties and local structures in bulk Mg 54 (Cu 1− x Ag x ) 35 Y 11 metallic glasses: Ab initio molecular dynamics simulations

Ab initio molecular dynamics simulation of the surface composition of Co 54 Ta 11 B 35 metallic glasses

“…A bulk hcp crystal contains additional 1422 and 2331 pairs, with overall ratios 9:9:3:3:3:1 for 2211, 2101, 1421, 2441, 1422 and 2331 pairs, respectively. In recent research [23][24][25], we only consider the bond pair with i = 1 for simplicity. The 1311 and 1321 bond pairs represent a disordered atomic arrangement.…”