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.
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References
Grain Boundaries and Crystalline Plasticity, Priester, L., Ed., London: Wiley, 2013.
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.
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.
Cherepanov, G.P., On the Theory of Thermal Stresses in Thin Bounding Layer, J. Appl. Phys., 1995, vol. 78, no. 11, pp. 6826–6832.
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.
Surface Layers and Internal Interfaces in Heterogeneous Materials, Panin, V.E., Ed., Novosibirsk: Izd-vo SO RAN, 2006, pp. 32–69.
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
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.
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.
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.
Brinckmann, S. and Dehm, G., Nanotribology in Austenite: Plastic Plowing and Crack Formation, Wear, 2015, vol. 338–339, pp. 436–440.
Wredenberg, F. and Larsson, P.-L., Scratch Testing of Metals and Polymers: dxperiments and 7umerics, Wear, 2009, vol. 266, pp. 76–83.
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.
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.
Alhafez, I.A. and Urbassek, H.M., Scratching of HCP Metals: A Molecular-Dynamics Study, Comput. Mater. Sci., 2016, vol. 113, pp. 187–197.
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.
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.
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.
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.
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.
Rapaport, D.C., The Art of Molecular Dynamics Simulation, Cambridge: Cambridge University Press, 2004.
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
Plimpton, S., Fast Parallel Algorithms for Short-Range Molecular Dynamics, J. Comput. Phys., 1995, vol. 117, pp. 1–19.
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.
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.
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.
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.
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Russian Text © The Author(s), 2019, published in Fizicheskaya Mezomekhanika, 2019, Vol. 22, No. 3, pp. 25–35.
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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
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DOI: https://doi.org/10.1134/S1029959919050035