collaborators

1 paper

cond-mat.mtrl-sci2018

Nearest-Neighbor Broken Bond Model for Describing the Surface Energies of Transition Metals

Xiao-Yan Li, Beien Zhu, Yi Gao

In our recent works, we used a nearest-neighbor broken bond (NNBB) model to fit the surface energy of Pt, Pd, and Au surfaces [Adv. Theory Simul. 1800127 (2018)]. It was verified t…