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Molecular Dynamics (MD) simulations have been carried out on pure nickel (Ni)
crystal with face-centered cubic (FCC) lattice upon application of uniaxial tension at
nanolevel with a speed of 20 m/s. Morse potential was employed to carry out three
dimensional molecular dynamics simulations. MD simulation was used to investigate the
effect of volume of Ni nanowire on the nature of deformation and fracture. The engineering
stress.time diagrams obtained by the MD simulations of the tensile specimens of these Ni
nanowires show a rapid increase in stress up to a maximum followed by a gradual drop to
zero when the specimen fails by ductile fracture. The feature of deformation energy can be
divided into four regions: quasi-elastic, plastic, flow and failure. The nature of deformation,
slipping, twinning and necking was studied. Stress decreased with increasing volume and the
breaking position increases.
Keywords: molecular dynamics simulation; mechanical properties; nickel nanowire |
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