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Scratch-resistant behavior of NbC/Nb nanolaminates: insights from molecular dynamics atomistic simulations

  • The Physics of Metal Plasticity: in honor of Professor Hussein Zbib
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Abstract

Molecular dynamics atomistic simulations were used to investigate the tribological properties of NbC/Nb ceramic/metal nano-laminates (CMNLs) during nano-indentation and nano-scratching. The study compared the scratching behavior of the CMNLs to that of NbC and Nb single crystals. Two CMNL models were considered, both featuring a top layer of NbC with differing metallic layer thicknesses of 2 nm and 8 nm. Spherical indenters with radii of 5, 10, and 20 nm were used to scratch the CMNLs with a 3 nm penetration depth, avoiding penetration into the metallic layer beneath the ceramic layer. The results revealed that the alternating metallic and ceramic layers in the CMNL models reduced the amount of material removed during scratching compared to NbC single crystals. The model with the thickest metallic layer showed lower friction coefficient and material removal. The simulations demonstrated that the indenter size had a significant effect on the scratch behavior of CMNLs, with the friction coefficients for the larger indenters being notably lower. The study revealed that larger indenters show less sensitivity to the individual layer thickness in terms of friction coefficients and material removal. The scratching response of the models was linked to the atomic-level deformation mechanisms during the scratching process. The dominant factors affecting the scratching behavior were individual layer thickness, indenter size, and the scratching attack angle. Overall, the study provides valuable insights into the tribological behavior of CMNLs and sheds light on the design of scratch-resistant coatings.

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Data and code availability

The molecular dynamics codes that were used in this work are available upon request to the corresponding author, Dr. Iman Salehinia.

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Acknowledgements

I. Salehinia would like to acknowledge late Prof. Zbib for his invaluable guidance and mentorship during his postdoctoral work. His contributions to the field of material science were immense and this paper is dedicated to his memory. Authors would like to thank the Center for Research Computing & Data at Northern Illinois University for their support and providing us the access to their computer cluster, GAEA.

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  1. Department of Mechanical Engineering, Northern Illinois University, 590 Garden Road, DeKalb, IL, 60115, USA

    Md Mesbah Uddin & Iman Salehinia

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  1. Md Mesbah Uddin
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MDMU worked on original draft of the manuscript, running molecular dynamics simulations, data analysis, and review of the manuscript. IS worked on conceptualization, methodology, original and final drafts, review and editing, and supervision of the work.

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Correspondence to Iman Salehinia.

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Uddin, M.M., Salehinia, I. Scratch-resistant behavior of NbC/Nb nanolaminates: insights from molecular dynamics atomistic simulations. J Mater Sci 59, 4759–4774 (2024). https://doi.org/10.1007/s10853-023-08867-9

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