Size-dependent hardness of nanoscale metallic contacts from molecular dynamics simulations

Hojin Kim, Purdue University
Alejandro Strachan, Purdue University

Date of this Version

8-6-2012

Citation

rom molecular dynamics simulations Hojin Kim and Alejandro Strachan Phys. Rev. B 86, 064101 – Published 6 August 2012

Comments

This is the published version of Hojin Kim and Alejandro Strachan. (6 August 2012). "Size-dependent hardness of nanoscale metallic contacts from molecular dynamics simulations". First published in the Physical Review B Vol. 86, Iss. 6 — 1 August 2012 and is available online at: http://dx.doi.org/10.1103/PhysRevB.86.064101

Abstract

We characterize how size and shape affects the hardness of nanoscale metallic contacts using large-scale molecular dynamics (MD) simulations. High-aspect-ratio contacts continue the experimentally observed trend of hardening with decreasing contact size down to the sub-10-nm regime. However, we find that this effect is shape dependent and the rate of hardening with decreasing contact size diminishes as the aspect ratio of the asperities becomes smaller. Interestingly, low-aspect-ratio asperities that can support simple dislocation glide exhibit softening with decreasing size. A detailed analysis of the MD trajectories reveals the dislocation mechanisms that govern these complex size effects.

Discipline(s)

Nanoscience and Nanotechnology

 

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