Multiscale energy density algorithm and application to surface structure of Ni matrix of superalloy
Sun Min1, Wang Chong-Yu2, †, Liu Ji-Ping1, ‡
       

(color online) (a) Side view and (b) top view of atomic structure of Ni (001) surface in a 10 × 10 × 30 supercell with 12000 atoms; (c) schematic diagram of the side view of Ni (001) surface. Layer number increases for deeper layers from surface to bulk. The Ni atoms are indicated by blue balls.