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Misorientation Development at Σ3 Boundaries in Pure Copper: Experiments and MD Simulations

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Abstract

During deformation of bulk polycrystalline materials, misorientation develops due to plastic deformation within grains and additionally due to mismatch in the deformation of adjacent grains across grain boundaries. We have carried out incremental deformation of pure copper and studied misorientation development (Kernel Average Misorientation, KAM) near specific boundaries as a function of strain based on Electron Backscatter Diffraction (EBSD) measurements. To analyse misorientation variation within grains and near boundaries, we propose a novel method, section partitioning, which gives more representative measurements of misorientation as a function of distance from grain boundary. We find three kinds of behaviour near boundaries in terms of KAM: (i) lower than, (ii) intermediate between and (iii) higher than in-grain sections on either side of boundary. We also show that Grain Reference Orientation Deviation shows the best correlation with changes in the boundary character that occur as a result of deformation. Further we have performed molecular dynamics (MD) simulations of deformation of twinned crystals of copper. These results are used to qualitatively understand the misorientation development that we see in deformed samples. Our results highlight that similar Σ3 boundaries could show differences in misorientation development after deformation—and these are related to variations in dislocation boundary interactions. These results suggest that models for polycrystal deformation must incorporate such heterogeneous behaviour of boundaries.

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Acknowledgments

The authors would like to thank Department of Science and Technology (DST), Government of India for funding this study through projects 14DST017, CRG/2019/005060. The authors would like to acknowledge FIST lab facility, National Facility of Texture & OIM and high performance computing facilities at IIT Bombay for carrying out experimental and simulations work.

Data Availability

The datasets generated during and/or analysed during the current study are available from the corresponding author on reasonable request.

Competing interest

The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

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  1. Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology Bombay, Mumbai, 400076, India

    Sandhya Verma, G. Kamalakshi, M. P. Gururajan & Prita Pant

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  1. Sandhya Verma
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Verma, S., Kamalakshi, G., Gururajan, M.P. et al. Misorientation Development at Σ3 Boundaries in Pure Copper: Experiments and MD Simulations. Metall Mater Trans A 54, 2656–2669 (2023). https://doi.org/10.1007/s11661-023-07045-5

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