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Zr segregation in Ni–Zr alloy: implication on deformation mechanism during shear loading and bending creep

  • Metals & corrosion
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Abstract

Grain boundary (GB) migration and grain growth in nanocrystalline metals are major obstructions to exploit these materials to their fullest potential, thus limiting their utility as advanced structural materials. Here, we investigate the effect of Zr segregation to a Ni GB on migration and subsequent strengthening during shear deformation and high-temperature bending creep. Specifically, using molecular dynamics simulation, we simulate deformation of a Ni bicrystal specimen having a symmetric ∑5 grain boundary with and without segregated Zr. It is found that GB segregation up to 0.4 at.% pins the CSL boundary resulting in increased shear strength. Similar behavior is also observed in the case of bending creep deformation where the creep resistance increases only up to 0.4 at.%. This study indicates that larger amounts of GB segregation cause destabilization of the local atomic structure and consequently affect the GB stiffness. Moreover, we investigate the effect of Zr segregation on the interaction between the GB and a dislocation. We find that the preexisting dislocation is absorbed in the GB region for both clean and segregated specimens; however, the absorption path of the dislocation is different due to the change in GB stiffness caused by the Zr segregation.

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Acknowledgement

The authors would like to acknowledge the Computer Centre of National Institute of Technology, Rourkela, for giving access to the high-performance computing facility (HPCF), which has been necessary for performing this molecular dynamics research work.

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Authors and Affiliations

  1. Department of Metallurgical and Materials Engineering, National Institute of Technology Rourkela, Rourkela, 769008, India

    Snehanshu Pal & K. Vijay Reddy

  2. Department of Mechanical and Aerospace Engineering, University of Florida, Gainesville, FL, 32611, USA

    Douglas E. Spearot

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  1. Snehanshu Pal
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  2. K. Vijay Reddy
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Correspondence to Snehanshu Pal.

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Pal, S., Vijay Reddy, K. & Spearot, D.E. Zr segregation in Ni–Zr alloy: implication on deformation mechanism during shear loading and bending creep. J Mater Sci 55, 6172–6186 (2020). https://doi.org/10.1007/s10853-020-04411-1

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