Ontology highlight
ABSTRACT:
SUBMITTER: Chu H
PROVIDER: S-EPMC5507928 | biostudies-literature | 2017 Jul
REPOSITORIES: biostudies-literature
Chu Haijian H Huang Hanchen H Wang Jian J
Scientific reports 20170712 1
The formation and diffusion energies of atomic clusters on Mg surfaces determine the surface roughness and formation of faulted structure, which in turn affect the mechanical deformation of Mg. This paper reports first principles density function theory (DFT) based quantum mechanics calculation results of atomic clustering on the low energy surfaces {0001} and [Formula: see text]. In parallel, molecular statics calculations serve to test the validity of two interatomic potentials and to extend t ...[more]