Abstract
Atomistic simulation of high-rate deformation (\({v}\) = 3 × 108 s–1) by compressing perfect and defect (5% of vacancies and 5% of hydrogen impurity atoms) magnesium nanocrystals of “rigid” [0001] and “soft” [\(1\bar {1}01\)] orientations is performed at T = 300–375 K using three different interatomic interaction potentials. The free surface microrelief evolution of magnesium nanocrystals during plastic flow is shown. Stress σ–strain ε diagrams are constructed. The strain dependences of the scalar dislocation density are determined; the dependences of the strain rate \(\dot {\varepsilon }\) on the strain measure ε are constructed. The potential energy variation during deformation is considered. The formation of barriers causing the anomalous behavior of the strain rate is discussed. The effect of vacancies and hydrogen atoms on the shape of stress–strain curves, dislocation structure, and scalar dislocation density is shown. Conclusions about the effect of the type of the interatomic interaction potential on calculated characteristics are made.
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REFERENCES
J. Robson, Metall. Mater. Trans. A 45, 5226 (2014).
E. W. Kelly and W. F. Hosford, Trans. Met. Soc. AIME 242, 5 (1968).
J. Zhang and S. P. Joshi, J. Mech. Phys. Solids 60, 945 (2012).
W. F. Shelly and R. R. Nash, Trans. Metall. Soc. AIME 218, 416 (1960).
B. A. Grinberg, M. A. Ivanov, O. V. Antonova, A. M. Vlasova, N. A. Kruglikov, and A. V. Plotnikov, Russ. Phys. J. 54, 906 (2011).
B. A. Grinberg, M. A. Ivanov, O. V. Antonova, and A. M. Vlasova, Crystallogr. Rep. 57, 541 (2012).
R. L. Bell and R. Cahn, Proc. R. Soc. A 239, 494 (1957).
T. Obara, H. Yoshinga, and S. Morozumi, Acta Met. 21, 845 (1973).
J. F. Stohr and J. P. Poirier, Philos. Mag. 25, 1313 (1972).
F. F. Lavrentev and Yu. A. Pochil, Mater. Sci. Eng. 32, 121 (1978).
C. M. Bayer, B. Le, and B. Cao, Scr. Mater. 62, 536 (2010).
T. Kitahara, S. Ando, M. Tsushida, H. Kitahara, and H. Tonda, Key Eng. Mater. 345–346, 129 (2007).
A. M. Vlasova and A. Yu. Nikonov, Crystallogr. Rep. 63, 331 (2018).
X.-Z. Tang, Y.-F. Guo, S. Xu, and Y.-S. Wang, Philos. Mag. 95, 2013 (2015).
B. Syed, J. Geng, R. K. Mishra, and K. S. Kumar, Scr. Mater. 67, 700 (2012).
P. B. Hirsch and J. S. Lally, Philos. Mag. 12, 595 (1965).
S. R. Agnew, J. A. Horton, and M. H. Yoo, Metall. Mater. Trans. A 33, 851 (2002).
J. Geng, M. F. Chisholm, R. K. Mishra, and K. S. Kumar, Philos. Mag. Lett. 94, 377 (2014).
B. Li, P. Yan, M. Sui, and E. Ma, Acta Mater. 58, 173 (2010).
A. Chapuis and J. H. Driver, Acta Mater. 59, 1986 (2011).
T. Nogaret, W. Curtin, J. Yasi, L. Hector, and D. Trinkle, Acta Mater. 58, 4332 (2010).
D. Phelan, N. Stanford, B. Thijsse, and J. Sietsma, Mater. Sci. Forum 638–642, 1585 (2010).
O. V. Antonova, A. Y. Volkov, D. A. Komkova, and B. D. Antonov, Mater. Sci. Eng. A 706, 319 (2017).
S. Plimpton, J. Comput. Phys. 117, 1 (1995).
A. Stukowski, Mod. Simul. Mater. Sci. Eng. 18, 015012 (2010).
D. Y. Sun, M. I. Mendelev, C. A. Becker, K. Kudin, T. Haxhimali, M. Asta, J. J. Hoyt, A. Karma, and D. Srolovitz, Phys. Rev. B 73, 024116 (2006).
X.-Y. Liu, J. B. Adams, F. Ercolessi, and J. A. Moriarty, Mod. Simul. Mater. Sci. Eng. 4, 293 (1996).
D. E. Smirnova, S. V. Starikov, and A. M. Vlasova, Comput. Mater. Sci. 154, 295 (2018).
A. Stukowski and K. Albe, Mod. Simul. Mater. Sci. Eng. 18, 085001 (2010).
A. Stukowski, J. Mater. 66, 399 (2014).
A. Stukowski, V. V. Bulatov, and A. Arsenlis, Mod. Simul. Mater. Sci. Eng. 20, 085007 (2012).
M. A. Lebedkin and L. R. Dunin-Barkovskii, Phys. Solid State 40, 447 (1998).
V. V. Gorbatenko, V. I. Danilov, and L. B. Zuev, Tech. Phys. 62, 395 (2017).
T. Nogaret, W. Curtin, J. Yasi, L. Hector, and D. Trinkle, Acta Mater. 58, 4332 (2010).
ACKNOWLEDGMENTS
Calculations were performed using the URAN supercomputer of the Institute of Mathematics and Mechanics, Ural Branch of Russian Academy of Sciences. A.M. Vlasova is grateful to the Shared Service Center “Supercomputer Center of the of the Institute of Mathematics and Mechanics, Ural Branch of Russian Academy of Sciences.”
Funding
This study was performed within the State contract on the “Pressure” subject, no. АААА-А18-118020190104-3.
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Vlasova, A.M. Simulation of Uniaxial Deformation of Magnesium Nanocrystals of “Rigid” and “Soft” Orientations. Phys. Solid State 62, 174–184 (2020). https://doi.org/10.1134/S1063783420010369
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DOI: https://doi.org/10.1134/S1063783420010369