Study on Young's modulus of metallic nanowires using classical molecular dynamics simulations

SS Sarangi, MATERIALS TODAY-PROCEEDINGS, 41, 413-415 (2021).

DOI: 10.1016/j.matpr.2020.09.800

The metallic nanowires are the nanoscale building blocks that can perform excellent mechanical functions as electromechanical devices. Classical molecular dynamics simulations using embedded-atom method have been carried out to study the mechanical behavior of metallic nanowires. In this study, the Young's modulus of four face-centered cubic (FCC) metallic nanowires; gold, silver, platinum and palladium has been obtained at various strain rates. Stress-strain variation graphs for the metallic nanowires at the strain rates of 0.005 angstrom/ps, 0.01 angstrom/ps, and 0.02 angstrom/ps are obtained and their Young's modulus are calculated from the slope of the curves within the linear elastic region. The computed Young's modulus values are found to be close to their corresponding theoretical values for all strain rates. It is observed that the Young's modulus decreased marginally with increase in strain rate for all the NWs. For the smallest strain rate, the variation with respect to stress is seen to be linear. With increase in the strain rate, the variation became non-linear. In the elastic zone, the nature of the slope appeared to be smoother for lower strain rate than the higher strain rates, this could be due to the dislocations occurred at higher strain rates. (C) 2019 Elsevier Ltd. All rights reserved.

Return to Publications page