Influence of orientation and temperature on the mechanical properties and deformation behavior of nickel nanowire under bending: A large scale molecular dynamics simulation

KC Katakam and N Yedla, MATERIALS TODAY-PROCEEDINGS, 39, 1727-1732 (2021).

DOI: 10.1016/j.matpr.2020.06.302

The present work reports the mechanical properties of Ni nanowire (NW) of different orientations (010 (orientation -1); 111 (orientation-2); 1-10 (orientation-3)) and temperatures (10 K, 100 K and 300 K) via molecular dynamics (MD) simulations using a three-point bending test. For the above studies Ni NW of size 100 angstrom (x-axis) x 1000 angstrom (y-axis) x 100 angstrom (z-axis) is considered. Embedded atom method potential is used for Ni-Ni atomic interaction. From the load-displacement curves, Young's modulus and yield strength are calculated. With the increase of NW temperature, a decrease in Young's modulus and yield strength values are noticed. Twisting of NW is observed only at orientation-2 NW at 300 K and orientation-3 NW at all three temperatures under bending. Fracture of NW at the left rigid region is noticed only at 100 K samples for orientation-2 and orientation-3. (C) 2020 Elsevier Ltd. All rights reserved.

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