Abstract
The effect of the interface on the fracture of metal heterostructures under constant-rate uniaxial tension was investigated by molecular dynamics simulations. It was found that the presence of an interface aligned in the direction of the tensile loading axis leads to the strengthening of the sample. A cause of the observed strengthening is the inflow of atoms of one metal into the voids in the subsystem of another metal formed during stretching. In addition, the Chernov–Luders bands propagating in the neck region in the copper and silver components of the heterostructure change their paths when crossing the interface, which results in smaller displacements of the atomic planes in each of the metals.
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REFERENCES
Panin, V.E., Goldstein, R.V., and Panin, S.V., Mesomechanics of Multiple Cracking of Brittle Coatings in a Loaded Solid, Int. J. Fract., 2008, vol. 150, no. 1–2, pp. 37–53. https://doi.org/10.1007/s10704-008-9226-2
Maruschak, P., Panin, S., Vlasov, I., Prentkovskis, O., and Danyliuk, I., Structural Levels of the Nucleation and Growth of Fatigue Crack in 17Mn1Si Steel, Transport, 2015, vol. 30, no. 1, pp. 15–23. https://doi.org/10.3846/16484142.2014.1003404
Sunder, R., Andronik, A., Biakov, A., Eremin, A., Panin, S., and Savkin, A., Combined Action of Crack Closure and Residual Stress under Periodic Overloads: A Fractographic Analysis, Int. J. Fatigue, 2016, vol. 82, no. 3, pp. 667–675. https://doi.org/10.1016/j.ijfatigue.2015.09.025
Psakhie, S.G., Moiseyenko, D.D., Smolin, A.Yu., Shilko, E.V., Dmitriev, A.I., Korostelev, S.Yu., and Tatarintsev, E.M., The Features of Fracture of Heterogeneous Materials and Frame Structures. Potentialities of MCA Design, Comput. Mater. Sci., 1999, vol. 16, no. 1–4, pp. 333–343. https://doi.org/10.1016/S0927-0256(99)00076-2
Smolin, A.Yu., Konovalenko, Ig.S., Kul’kov, S.N., and Psakhie, S.G., Quasi-Viscous Fracture of Brittle Media with Stochastic Pore Distribution, Tech. Phys. Lett., 2006, vol. 32, no. 9, pp. 738–740. https://doi.org/10.1134/S1063785006090021
Smolin, A.Yu., Eremina, G.M., Sergeyev, V.V., Shilko, E.V., and Psakhie, S.G., Three-Dimensional MCA Simulation of Elastoplastic Deformation and Fracture of Coatings in Contact Interaction with a Rigid Indenter, Phys. Mesomech., 2014, vol. 17, pp. 292–303. https://doi.org/10.1134/S1029959914040067
Fan, L. and Yao, W.J., Regulation and Coupling Effects on Mechanical Properties of Copper-Graphene/h-BN Layered Heterostructure via Ion Irradiation, Interlayer sp(3) Bonds and Temperature, Mater. Res. Express, 2019, vol. 6, no. 10. https://doi.org/10.1088/2053-1591/ab403c
Fan, L. and Yao, W.J., Mechanical Properties of a G/h-BN Heterobilayer Nanosheets Coupled by Interlayer sp(3) Bonds and Defects, Mater. Res. Express, 2019, vol. 6, no. 9. https://doi.org/10.1088/2053-1591/ab2ec1
Ding, Q.Y., Ding, N., Liu, L., Li, N., and Wu, C.M.L., Investigation on Mechanical Performances of Grain Boundaries in Hexagonal Boron Nitride Sheets, Int. J. Mech. Sci., 2018, vol. 149, pp. 262–272. https://doi.org/10.1016/j.ijmecsci.2018.10.003
Pilania, G., Thijsse, B.J., Hoagland, R.G., Lazic, I., Valone, S.M., and Liu, X.-Y., Revisiting the Al/Al2O3 Interface: Coherent Interfaces and Misfit Accommodation, Sci. Rep., 2014, vol. 4, article 4485. https://doi.org/10.1038/srep04485
Kryzhevich, D.S., Zolnikov, K.P., and Korchuganov, A.V., Atomic Rearrangements at Migration of Symmetric Tilt Grain Boundaries in Vanadium, Comput. Mater. Sci., 2018, vol. 153, pp. 445–448. https://doi.org/10.1016/j.commatsci.2018.07.024
Susarla, S., Manimunda P., Jaques, Y.M., Hatchel, J.A., Idrobo, J.C., Amnulla, S.A.S., Galväo, D.S., Tiwary, C.S., and Ajayan, P.M., Deformation Mechanisms of Vertically Stacked WS2/MoS2 Heterostructures: The Role of Interfaces, ACS Nano, 2018, vol. 12, no. 4, pp. 4036–4044. https://doi.org/10.1021/acsnano.8b01786
Ghobadi, N., A Comparative Study of the Mechanical Properties of Multilayer MoS2 and Graphene/MoS2 Heterostructure: Effects of Temperature, Number of Layers and Stacking Order, Curr. Appl. Phys., 2017, vol. 17, no. 11, pp. 1483–1493. https://doi.org/10.1016/j.cap.2017.08.018
Chung, J.Y., Sorkin, V., Pei, Q.X., Chiu, C.H., and Zhang, Y.W., Mechanical Properties and Failure Behaviour of Graphene/Silicene/Graphene Heterostructures, J. Phys. D Appl. Phys., 2017, vol. 50, no. 34. https://doi.org/10.1088/13616463/aa7938
Zhang, J., Vibrations of van der Waals Heterostructures: A Study by Molecular Dynamics and Continuum Mechanics, J. Appl. Phys., 2019, vol. 125, no. 2. https://doi.org/10.1063/1.5064421
Golovnev, I.F., Golovneva, E.I., and Fomin, V.M., The Influence of the Surface on the Fracture Process of Nanostructures under Dynamic Loads, Comput. Mater. Sci., 2015, vol. 97, pp. 109–115. https://doi.org/10.1016/j.commatsci.2014.10.022
Golovnev, I.F., Golovneva, E.I., and Fomin, V.M., Molecular-Dynamic Modeling of Mechanical Properties of Free Defect Metal Nanocrystals, Comput. Mater. Sci., 2006, vol. 37, pp. 336–348. https://doi.org/10.1016/j.commatsci.2005.09.005
Golovnev, I.F., Golovneva, E.I., and Fomin, V.M., The Influence of a Nanocrystal Size on the Results of Molecular-Dynamics Modelling, Comput. Mater. Sci., 2006, vol. 36, pp. 176–179. https://doi.org/10.1016/j.commatsci.2004.12.082
Voter, A.F., Embedded Atom Method Potentials for Seven FCC Metals: Ni, Pd, Pt, Cu, Ag, Au, and Al, Los Alamos Unclassified Technical Report # LA-UR 93-3901, 1993.
Golovneva, E.I., Golovnev, I.F., and Fomin, V.M., Simulation of Quasistatic Processes in Crystals by a Molecular Dynamics Method, Phys. Mesomech., 2003, vol. 6, no. 5–6, pp. 41–45.
Allen, M.P. and Tildesley, D.J., Computer Simulation of Liquids, New York: Clarendon Press, 1987.
Funding
The work was carried out with the financial support of RFBR Grant No. 20-01-00048-a and in the frame of the Fundamental Research Program of the State Academies of Sciences for 2013–2020 (Project No. АААА-А17-117030610134-9).
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Russian Text © The Author(s), 2020, published in Fizicheskaya Mezomekhanika, 2020, Vol. 23, No. 4, pp. 20–26.
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Golovnev, I.F., Golovneva, E.I. & Fomin, V.M. Molecular Dynamics Study of the Interface Effect on the Fracture of a Heterostructure under Uniaxial Tension. Phys Mesomech 24, 14–19 (2021). https://doi.org/10.1134/S1029959921010033
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DOI: https://doi.org/10.1134/S1029959921010033