Morse potentials were employed to carry out three-dimensional molecular
dynamics simulations. A computer experiment was performed at the temperature
corresponding to 300 K and 1000 K. MD simulation was used to investigate the effect of
cross-sectional area of Ni nanofilm on the nature of deformation and fracture. The
engineering stress-time diagrams obtained by the MD simulations of the tensile specimens of
these Ni nanofilms showed a rapid increase in stress up to a maximum followed by a gradual
drop to zero when the specimen was failed by ductile fracture. The feature of deformation
energy can be divided into four regions: quasi-elastic, plastic, flow, and failure. The results
shows that breaking position depends on the nanofilm cross-sectional area.
Keywords: three-dimensional molecular dynamics simulation; Morse potentials; Ni nanofilm; deformation; fracture.
full paper (pdf, 1376 Kb)