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Designing copper–zirconium based nanowires for improving yield strength and plasticity by configuring surface atoms

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Abstract

Epitaxial-Bain-Path and Uniaxial-Bain-Path studies reveal that a B2-CuZr nanowire with Zr atoms on the surface is energetically more stable compared to a B2-CuZr nanowire with Cu atoms on the surface. Nanowires of cross-sectional dimensions in the range of ~20–50 Å are considered. Such stability is also correlated with the initial state of stress in the nanowires. It is also demonstrated here that a more stable structure, i.e., B2-CuZr nanowire with Zr atoms at surface shows improved yield strength compared to B2-CuZr nanowire with Cu atoms at surface site, over range of temperature under both the tensile and the compressive loadings. Nearly 18% increase in the average yield strength under tensile loading and nearly 26% increase in the averaged yield strength under compressive loading are observed for nanowires with various cross-sectional dimensions and temperatures. It is also observed that the B2-CuZr nanowire with Cu atom at the surface site shows a decrease in failure/plastic strain with an increase in temperature. On the other hand, B2-CuZr nanowires with Zr at the surface site shows an improvement in failure/plastic strain, specially at higher temperature as compared to the B2-CuZr nanowires which are having Cu atoms at the surface site. Finally, a possible design methodology for an energetically stable nano-structure with improved thermo-mechanical properties via manipulating the surface atom configuration is proposed.

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  1. Vijay Kumar Sutrakar

    Present address: Aeronautical Development Agency, Ministry of Defence, PB No: 1718, Vimanapura Post, Bangalore, 560017, India

Authors and Affiliations

  1. Aeronautical Development Establishment, Defence Research and Development Organization, New Thipasandara Post, Bangalore, 560075, India

    Vijay Kumar Sutrakar

  2. Department of Aerospace Engineering, Indian Institute of Science, Bangalore, 560012, India

    Vijay Kumar Sutrakar & D. Roy Mahapatra

Authors
  1. Vijay Kumar Sutrakar
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  2. D. Roy Mahapatra
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Correspondence to Vijay Kumar Sutrakar.

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Sutrakar, V.K., Mahapatra, D.R. Designing copper–zirconium based nanowires for improving yield strength and plasticity by configuring surface atoms. J Nanopart Res 13, 6907–6918 (2011). https://doi.org/10.1007/s11051-011-0598-2

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  • DOI: https://doi.org/10.1007/s11051-011-0598-2

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