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Influence of Asymmetric Cyclic Loading on Structural Evolution and Deformation Behavior of Cu-5 at.% Zr Alloy: An Atomistic Simulation-Based Study

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Abstract

Molecular dynamics (MD) simulation-based studies of tensile test and structural evolution of Cu-5 at.% Zr alloy under asymmetric cyclic loading (i.e., ratcheting behavior) considering various stress ratios such as − 0.2, − 0.4 and − 0.6 for different temperatures, viz.≈ 100, 300 and 500 K have been performed using embedded atom model Finnis–Sinclair potential. According to obtained stress–strain response from MD calculation, Cu-5 at.% Zr alloy specimen is pristine in nature as sudden drop in stress just after yield stress and subsequent elastic type deformation are observed for this alloy. Predicted ratcheting strain by MD simulation for Cu-5 at.% Zr alloy varies from 4.5 to 5%. Significant increase in ratcheting strain has been observed with the increase in temperature. Slight reduction in crystallinity is identified at the middle of the each loading cycle from the performed radial distribution function analysis and cluster analysis.

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Acknowledgments

The authors wish to thank the computer centre of National Institute of Technology Rourkela for providing high-performance computing facility (HPCF).

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Authors and Affiliations

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

    Md. Meraj, Krishna Dutta, Ravindra Bhardwaj, Natraj Yedla & Snehanshu Pal

  2. Department of Metallurgical and Materials Engineering, Government Engineering College, Salem, Tamil Nadu, 636011, India

    V. Karthik

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Correspondence to Snehanshu Pal.

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Meraj, M., Dutta, K., Bhardwaj, R. et al. Influence of Asymmetric Cyclic Loading on Structural Evolution and Deformation Behavior of Cu-5 at.% Zr Alloy: An Atomistic Simulation-Based Study. J. of Materi Eng and Perform 26, 5197–5205 (2017). https://doi.org/10.1007/s11665-017-3003-1

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  • DOI: https://doi.org/10.1007/s11665-017-3003-1

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