Features of deformation and breaking for Ni nanowire

Abstract

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. The deformation corresponds to the direction <001>. To the calculated block of crystal free boundary conditions are applied in the directions <100>, <010>. A manybody interatomic potential for Ni within the second-moment approximation of the tight-binding model (the Cleri and Rosato potentials) was employed to carry out three dimensional MD simulations. A computer experiment is performed at a temperature corresponding to 10K, 300K and 1000K. MD simulation used to investigate the effect of length of Ni nanowire on the nature of deformation and 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 were studied. Stress decreased with increasing volume. The results showed that breaking position depended on the nanowire length.

Mechanical properties of metallic nanowires using tight-binding model

“…Aish et al [5][6][7] have studied the mechanical properties of Ni nanowires using pair potential Morse where they concluded that the mechanical properties of Ni nanowires are highly dependent on the size, shape as well as the atomic vacancies in the nanowire.…”

Molecular Dynamics (MD) Simulation of FCC Metallic Ni3Al Alloy at High Temperature

“…The following sections discuss MD simulation methodology, properties of FCC nanowires, and comparison of their properties with body-centered cubic (BCC) and hexagonal closed-packed (HCP) nanowires. The mechanical properties of Ni nanowires dependence on size, shape, as well as the temperature have been studied [1][2][3][4][5][6][7]. Characterization of strain-induced structural transformations in CdSe nanowires using molecular dynamics simulation also studied [8].…”

Deformation and Fracture of Metallic Nanowires

“…The origin of such properties of some nanostructures is still unclear. Aish et al [3][4][5][6][7] have showed that the mechanical properties of Ni nanowires are highly dependent on the size, shape as well as the atomic vacancies in the nanowire.…”