Skip to main content
Log in

The Role of Grain Boundaries in Rotational Deformation in Polycrystalline Titanium under Scratch Testing

  • Published:
Physical Mesomechanics Aims and scope Submit manuscript

Abstract

The paper reports on a molecular dynamics simulation of plastic deformation in polycrystalline titanium under scratch testing with explicit account of crystallographic orientations determined by electron backscatter diffraction for individual Ti grains. The simulation shows that the presence of a grain boundary breaks the lattice translation invariance and induces a constrained strain zone in which the deformation changes its dislocation mechanism for rotations such that misoriented local regions appear near the grain boundary. The pattern of consistent dynamic rotations of atoms near the grain boundary is governed by the crystallographic orientation of grains. If the indenter sliding direction coincides with one of the easy slip directions of a loaded grain, the material in the grain boundary region is fragmented and atomic clusters move along the grain boundary plane from the surface deep into the material. The simulation results allow us to explain why the profile of scratches differs depending on the scratching direction.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. Grain Boundaries and Crystalline Plasticity, Priester, L., Ed., London: Wiley, 2013.

    Google Scholar 

  2. Zhou, Q., Huang, P., Liu, M., Wang, F., Xu, K., and Lu, T., Grain and Interface Boundaries Governed Strengthening Mechanisms in Metallic Multilayers, J. Alloy. Compd., 2017, vol. 698, pp. 906–912.

    Article  Google Scholar 

  3. Grinyaev, Yu.V. and Panin, V.E., Calculation of the Stress State in an Elastically Loaded Polycrystal, Izv. Vyssh. Uchebn. Zaved., Fiz., 1978, no. 12, pp. 95–101.

  4. Cherepanov, G.P., On the Theory of Thermal Stresses in Thin Bounding Layer, J. Appl. Phys., 1995, vol. 78, no. 11, pp. 6826–6832.

    Article  ADS  Google Scholar 

  5. Panin, V.E. and Grinyaev, Yu.V., Physical Mesomechanics: New Paradigm at the Interface of Solid State Physics and Solid Mechanics, Phys. Mesomech., 2003, vol. 6, no. 4, pp. 7–32.

    Google Scholar 

  6. Surface Layers and Internal Interfaces in Heterogeneous Materials, Panin, V.E., Ed., Novosibirsk: Izd-vo SO RAN, 2006, pp. 32–69.

    Google Scholar 

  7. Egorushkin, V.E. and Panin, V.E., Scale Invariance of Plastic Deformation of the Planar and Crystal Subsystems of Solids under Superplastic Conditions, Phys. Mesomech., 2017, vol. 20, no. 1, pp. 1–9. doi https://doi.org/10.1134/S1029959917010015

    Article  Google Scholar 

  8. Valiev, R.Z., Alexandrov, I.V., Enikeev, N.A., Murashkin, M.Y., and Semenova, I.P., Towards Enhancement of Properties of UFG Metals and Alloys by Grain Boundary Engineering Using SPD Processing, Rev. Adv. Mater. Sci., 2010, vol. 25, no. 1, pp. 1–10.

    Google Scholar 

  9. Panin, V.E. and Egorushkin, V.E., Curvature Solitons as Generalized Wave Structural Carriers of Plastic Deformation and Fracture, Phys. Mesomech., 2013, vol. 16, no. 4, pp. 267–286.

    Article  Google Scholar 

  10. Chen, S. and Yu, Q., The Role ofLow Angle Grain Boundary in Deformation of Titanium and Its Size Effect, Scripta Mater., 2019, vol. 163, pp. 148–151.

    Article  Google Scholar 

  11. Brinckmann, S. and Dehm, G., Nanotribology in Austenite: Plastic Plowing and Crack Formation, Wear, 2015, vol. 338–339, pp. 436–440.

    Article  Google Scholar 

  12. Wredenberg, F. and Larsson, P.-L., Scratch Testing of Metals and Polymers: dxperiments and 7umerics, Wear, 2009, vol. 266, pp. 76–83.

    Article  Google Scholar 

  13. Xu, X., van der Zwaag, S., and Xu, W., Abrasion Resistance Characterization of Low Alloy Construction Steels: A Comparison between Three Different Scratch Test Protocols, Wear, 2017, vol. 384–385, pp. 106–113.

    Article  Google Scholar 

  14. Gao, Y., Brodyanski, A., Kopnarski, M., and Urbassek, H.M., Nanoscratching of Iron: A Molecular Dynamics Study of the Influence of Surface Orientation and Scratching Direction, Comput. Mater. Sci., 2015, vol. 103, pp. 77–89.

    Article  Google Scholar 

  15. Alhafez, I.A. and Urbassek, H.M., Scratching of HCP Metals: A Molecular-Dynamics Study, Comput. Mater. Sci., 2016, vol. 113, pp. 187–197.

    Article  Google Scholar 

  16. Liu, Y., Li, B., and Kong, L., A Molecular Dynamics Investigation into Nanoscale Scratching Mechanism of Polycrystalline Silicon Carbide, Comput. Mater. Sci., 2018, vol. 148, pp. 76–86.

    Article  Google Scholar 

  17. Dmitriev, A.I., Nikonov, A.Yu., and Psakhie, S.G., Atomistic Mechanism of Grain Boundary Sliding with the dx-ample of a Large-Angle Boundary Σ = 5. Molecular Dynamics Calculation, Phys. Mesomech., 2011, vol. 14, no. 1–2, pp. 24–31.

    Article  Google Scholar 

  18. Nikonov, A.Yu., Konovalenko, Iv.S., and Dmitriev, A.I., Molecular Dynamics Study of Lattice Rearrangement under Mechanically Activated Diffusion, Phys. Mesomech., 2016, vol. 19, no. 1, pp. 77–85.

    Article  Google Scholar 

  19. Shugurov, A., Panin, A., Dmitriev, A., and Nikonov, A., The Effect of Crystallographic Grain Orientation of Polycrystalline Ti on Ploughing under Scratch Testing, Wear, 2018, vol. 408–409, pp. 214–221.

    Article  Google Scholar 

  20. Dmitriev, A.I., Nikonov, A.Yu., Shugurov, A.R., and Panin, A.V., Numerical Study of Atomic Scale Deformation Mechanisms of Polycrystalline Titanium Subjected to Scratch Testing, Appl. Surf. Sci., 2019, vol. 471, pp. 318–327.

    Article  ADS  Google Scholar 

  21. Rapaport, D.C., The Art of Molecular Dynamics Simulation, Cambridge: Cambridge University Press, 2004.

    Book  Google Scholar 

  22. Cundall, P.A. and Strack, O.D.L., A Discrete Numerical Model for Granular Assemblies, Geotechnique, 1979, vol. 29(1), pp. 47–65. doi https://doi.org/10.1680/geot.1979.29.1.47

    Article  Google Scholar 

  23. Plimpton, S., Fast Parallel Algorithms for Short-Range Molecular Dynamics, J. Comput. Phys., 1995, vol. 117, pp. 1–19.

    Article  ADS  Google Scholar 

  24. Mendelev, M.I., Underwood, T.L., and Ackland, G.J., Development of an Interatomic Potential for the Simulation of Defects, Plasticity, and Phase Transformations in Titanium, J. Chem. Phys., 2016, vol. 145, p. 154102.

    Article  ADS  Google Scholar 

  25. Stukowski, A., Bulatov, V.V., and Arsenlis, A., Automated Identification and Indexing of Dislocations in Crystal Interfaces, Model. Simul. Mater. Sci. Eng., 2012, vol. 20, p. 085007.

    Article  ADS  Google Scholar 

  26. Dmitriev, A.I., Nikonov, A.Yu., Filippov, A.E., and Popov, V.L., Identification and Space-Time Evolution of Vortex-Like Motion of Atoms in a Loaded Solid, Phys. Mesomech., 2018, vol. 21, no. 5, pp. 419–429.

    Article  Google Scholar 

Download references

Funding

The work was supported by Fundamental Research Program of the State Academies of Sciences for 2013–2020 (projects Nos. III.23.1.1 and III.23.2.4) and grant of RFBR and Tomsk Region Administration No. 18-48-700009 r_a. The molecular dynamics simulation was performed on a Skif Cyberia supercomputer under TSU Competitiveness Enhancement Program.

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to A. I. Dmitriev.

Additional information

Russian Text © The Author(s), 2019, published in Fizicheskaya Mezomekhanika, 2019, Vol. 22, No. 3, pp. 25–35.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Dmitriev, A.I., Nikonov, A.Y., Shugurov, A.R. et al. The Role of Grain Boundaries in Rotational Deformation in Polycrystalline Titanium under Scratch Testing. Phys Mesomech 22, 365–374 (2019). https://doi.org/10.1134/S1029959919050035

Download citation

  • Received:

  • Revised:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S1029959919050035

Keywords

Navigation