Large-Scale Molecular Dynamics Simulation Studies on Deformation of Ni Nanowires: Surface Profile, Defects and Stacking Fault Width Analysis

Deformation Behaviour of Single Linear Surface Defect Nickel Nanowire at Different Temperatures Studied by Molecular Dynamics Simulations

“…3(b)<2>, we have shown the sessile dislocation formation with burger vector 1/6[01-1], by the interaction of two Shockley partial dislocations. Katakam et al [9] has also showed similar features in the deformation studies of Ni NW with internal and surface defects. For NWs deformed at 100 K and 300 K temperature, yielding occurs at a strain of e = 0.196 and e = 0.162 by Shockley partial dislocations emission at a region away from the surface defect (Fig.…”

“…On further straining, the deformation relief pattrens through slip lines developed as extrusion areas along with the intrusion areas on the surface. In Katakam et al [9] the deformation relief pattern of perfect and defect Ni NW under uniaxial tensile loading is shown in large scale. Development of these deformation relief pattrens takes place at edges in perfect NW and at defect areas in defected NWs.…”

“…3(c,d)<1>). Few other dislocations observed in the deformation of 100 K NW are 1/3 [1][2][3][4][5][6][7][8][9][10][11][12], 1/3 and twinning dislocations 1/18[-411], 1/18 [-7-21].…”

“…It is reported that there is a decrease of modulus of elasticity (E) and maximum strength of NW with temperature and there is an intense fluctuation in stress-strain curves. Katakam et al [9] has worked on the mechanical and deformation behaviour of perfect and defect (void, surface crack and internal crack) Ni NW in large scale. They reported different dislocations and there burger vectors and calculated the stacking fault widths generated during deformation of perfect and defect NWs.…”

A molecular dynamics study on the mechanical properties of Fe–Ni alloy nanowires and their temperature dependence

“…Computational methods such as molecular dynamics simulation, Monte Carlo simulation and discreteness simulation methods provide an atomic-level insight of the mechanical properties of the NWs. 18,23,24 Molecular dynamic simulation is widely used to study the elastic modulus, deformationmechanism and failure behavior of metal NWs, including Au, 25,26 Ag, 27 Ni, 28 Fe, 29 Cu, 30 Mo, 31 W, 32 and Ti. 33 As an important magnetic material, Fe-based NWs have attracted considerable attention.…”