Abstract
Molecular-dynamic simulation of the process of stretching of chromium and niobium nanocrystals and chromium-niobium bicrystals was performed to a pair-potential approximation. The authors obtained and analyzed the dependences of the potential energy, the number of pair interactions, work of deformation, stress, reduction in the cross-sectional area, and Poisson’s ratio on the strain with various orientations of nanocrystals with respect to the tensile force. They calculated the characteristics of elasticity, yielding, and strength of nanocrystals.
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REFERENCES
A. P. Shpak, Yu., V. V. Ogorodnikov, K. W. Maliszewski, and Yu. A. Kunitskii, “Computer experiment on deformation of nanocrystals of the chromium-niobium system. Part 1. Atomic-structural rearrangements,” Probl. Prochn., No. 1, 5–23 (2005).
V. V. Ogorodnikov and K. W. Maliszewski, “Computer simulation of the process of tension of chromium nanocrystals,” in: Theory and Simulation of the Electronic Structure and Properties of Refractory Compounds, Alloys, and Metals [in Russian], Proc. Institute of Problems in Materials Science of the National Academy of Sciences of Ukraine, Kiev (1997), pp. 127–139.
V. V. Ogorodnikov and K. W. Maliszewski, “Molecular dynamics simulation of Cr-Nb bicrystal tension, ” in: Simulation in Materials Science. Mathematical Models and Computational Experiment in Materials Science [in Russian], Proc. Institute of Problems in Materials Science of the National Academy of Sciences of Ukraine, Kiev, Issue 5 (2001), pp. 104–112.
V. V. Ogorodnikov and K. W. Maliszewski, “Computer investigation into atomic mechanism of deformation and fracture of chromium-niobium bicrystals,” Poroshk. Metallurg., No. 1/2, 82–91 (2003).
V. V. Ogorodnikov and K. W. Maliszewski, “Computer investigation into atomic mechanism of deformation and fracture of niobium nanocrystals,” in: Nanocrystalline Materials [in Russian], Institute of Problems in Materials Science of the National Academy of Sciences of Ukraine, Kiev (2002), pp. 142–158.
V. V. Ogorodnikov and K. W. Maliszewski, “Molecular dynamics simulation of tension of a NiAl nanocrystal, ” Metallofiz. Nov. Tekhnol., 23, No. 8, 1029–1039 (2001).
A. Latapie and D. Farkas, “Effect of grain size on the elastic properties of nanocrystalline α-iron,” Scripta Mater., No. 48, 611–615 (2003).
D. Farkas, H. Van Swygenhoven, and P. M. Derlet, “Intergranular fracture in nanocrystalline metals, ” Phys. Rev., B66 (2002).
P. Walsh, A. Omeltchenko, R. K. Kalia, et al., “Nanoindentation of silicon nitride: a multi-million atom molecular dynamics study,” Appl. Phys. Lett., 22, 118–120 (2003).
V. G. Bar’yakhtar (Ed.), Physics of a Solid Body. Encyclopaedia [in Russian], Vol. II, Naukova Dumka, Kiev (1998).
V. G. Bar’yakhtar (Ed.), Physics of a Solid Body. Encyclopaedia [in Russian], Vol. I, Naukova Dumka, Kiev (1996).
M. S. Koval’chenko, V. V. Ogorodnikov, Yu. I. Rogovoi, and A. G. Krainii, Radiation Damaging of Refractory Compounds [in Russian], Atomizdat, Moscow (1979).
V. V. Ogorodnikov and N. N. Sverdlik, “Experimental study of the process of compaction and homogenizing of dispersion mixtures of a pseudobinary TiC-ZrC system in sintering and hot pressing,” in: High-Temperature Carbides [in Russian], Naukova Dumka, Kiev (1975), pp. 112–118.
A. T. Kolomiets, “On a possibility of creating ductile heat-corrosion resistant materials based on bcc refractory metals,” in: Electron Microscopy and Strength of Materials [in Russian], Institute of Problems in Materials Science of the National Academy of Sciences of Ukraine, Kiev (1997), pp. 77–85.
V. Ogorodnikov, K. Maliszewski, A. Lisenko, and V. Bekenev, “Lattice energy, equation of state, and interatomic potential of Chromium,” Phys. Strength Plast., 16, 333–341 (1996).
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Translated from Problemy Prochnosti, No. 2, pp. 5 – 18, March – April, 2005
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Shpak, A.P., Ogorodnikov, V.V., Maliszewski, K.W. et al. Computer Experiment on Deformation of Nanocrystals of the Chromium-Niobium System. Part 2. Mechanical Properties. Strength Mater 37, 113–123 (2005). https://doi.org/10.1007/s11223-005-0024-z
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DOI: https://doi.org/10.1007/s11223-005-0024-z