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Physics of Metals and Metallography
Erschienen in: Physics of Metals and Metallography 7/2021

01.07.2021 | STRUCTURE, PHASE TRANSFORMATIONS, AND DIFFUSION

Structure and Energy of Symmetric Tilt Boundaries with the 〈110〉 Axis in Ni and the Energy of Formation of Vacancies in Grain Boundaries

verfasst von: M. G. Urazaliev, M. E. Stupak, V. V. Popov

Erschienen in: Physics of Metals and Metallography | Ausgabe 7/2021

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Abstract

Fourteen symmetric tilt boundaries with the 〈110〉 axis in Ni have been investigated by computer simulation with an embedded atom potential. The structures, energies, and widths of the grain boundaries have been calculated using the method of molecular statics simulation. It is shown that the structure of symmetric tilt boundaries with the 〈110〉 axis can be represented by a limited number of structure components. The stability of boundary structures at elevated temperatures has been studied using the molecular dynamics method. The energies of formation of vacancies in grain boundaries have been calculated.
Vorheriger Artikel Inversion of Nitrogen Redistribution in Austenitic Steel by Severe Plastic Deformation
Nächster Artikel Model of Primary Recrystallization in Pure Copper

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Literatur
1.
A. P. Sutton and R. W. Balluffi, Interfaces in Crystalline Materials (Clarendon, Oxford, 1995).
2.
H. Van Swygenhoven, D. Farkas, and A. Caro, “Grain-boundary structures in polycrystalline metals at the nanoscale,” Phys. Rev. 62, No. 2, 831–838 (2000).CrossRef
3.
A. Movahedi-Rad and R. Alizadeh, “Simulating grain boundary energy using molecular dynamics,” J. Mod. Phys. 5, 627–632 (2014).CrossRef
4.
J. D. Rittner and D. N. Seidman, “〈110〉 symmetric tilt grain-boundary structures in fcc metals with low stacking-fault energies,” Phys. Rev. B 54, No. 10, 6999–7015 (1996).CrossRef
5.
S. M. Foiles, M. I. Baskes, and M. S. Daw, “Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys,” Phys. Rev. B 33, No. 5, 7983 (1986).CrossRef
6.
S. Plimton, “Fast parallel algorithms for short range molecular dynamics,” J. Comp. Phys. 117, 1–19 (1995).CrossRef
7.
M. E. Stupak, M. G. Urazaliev, and V. V. Popov, “Structure and energy of 〈110〉 symmetric tilt boundaries in polycrystalline tungsten,” Phys. Met. Metallogr. 121, No. 8, 797–803 (2020).CrossRef
8.
M. A. Tschopp and D. L. McDowell, “Structures and energies of Sigma 3 asymmetric tilt grain boundaries in Cu and Al,” Philos. Mag. 87, 3147–3173 (2007).CrossRef
9.
Y. Mishin, D. Farkas, M. J. Mehl, and D. A. Papaconstantopoulos, “Interatomic potentials for monoatomic metals from experimental data and ab initio calculations,” Phys. Rev. B 59, No. 5, 3393–3407 (1999).CrossRef
10.
X. W. Zhou, R. A. Johnson, and H. N. G. Wadley, “Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers,” Phys. Rev. B 69, No. 14, 144113 (2004).CrossRef
11.
R. E. Stoller, A. Tamm, L. K. Béland, G. D. Samolyuk, G. M. Stocks, A. Caro, L. V. Slipchenko, Y. N. Osetsky, A. Aabloo, M. Klintenberg, and Y. Wang, “Impact of short-range forces on defect production from high-energy collisions,” J. Chem. Theory Comput. 12, No. 6, 2871–2879 (2016).CrossRef
12.
M. I. Mendelev, M. J. Kramer, S. G. Hao, K. M. Ho, and C. Z. Wang, “Development of interatomic potentials appropriate for simulation of liquid and glass properties of NiZr2 alloy,” Philos. Mag. 92, No. 35, 4454–4469 (2012).CrossRef
13.
S. S. Gorelik, Yu. A. Skakov, and L. N. Rastorguev, X‑ray Diffraction and Electron Optic Analysis: Textbook for Universities, 4th ed. (MISIS, Moscow, 2002) [in Russian].
14.
Simons G., Wang H., Single Crystal Elastic Constants and Calculated Aggregate Properties (MIT Press, Cambridge, 1977).
15.
Metal Reference Book, 5th ed., Ed. by C. J. Smith (Butterworth, London, 1976).
16.
W. Wycisk and M. J. Feller-Kniepmeier, “Quenching experiments in high purity Ni,” Nucl. Mater. 69, Nos. 1–2, 616–619 (1978).CrossRef
17.
L. E. Murr, Interfacial Phenomena in Metals and Alloys (Addison-Wesley, Advanced Book Program Reading, 1975).
18.
A. Stukowski, “Visualization and analysis of atomistic simulation data with OVITO – the Open Visualization Tool Modelling Simul,” Mater. Sci. Eng. 18, 015012 (2010).
19.
N. Takata, K. Ikeda, F. Yoshida, H. Nakashima, and H. Abe, “Grain boundary structure and its energy of 〈110〉 symmetric tilt boundary in copper,” Mater. Sci. Forum 467–470, 807–812 (2004).CrossRef
20.
J. Chen and A. M. Dongare, “Role of grain boundary character on oxygen and hydrogen segregation-induced embrittlement in polycrystalline Ni,” J. Mater. Sci. 52, 30–45 (2017).CrossRef
21.
W. R. Tyson and W. A. Miller, “Surface free energies of solid metals: Estimation from liquid surface tension measurements,” Surf. Sci. 62, No. 1, 267–276 (1977).CrossRef
22.
T. Surholt, Yu. Mishin, and Chr. Herzig, “Grain-boundary diffusion and segregation of gold in copper: Investigation in type-B and type-C kinetic regimes,” Phys. Rev. B 50, No. 6, 3577–3587 (1994).CrossRef
23.
V. S. Divinski, G. Reglitz, and G. Wilde, “Grain boundary self-diffusion in polycrystalline nickel of different purity levels,” Acta Mater. 58, 386–395 (2010).CrossRef
24.
D. Prokoshkina, V. A. Esin, G. Wilde, and S. V. Divinski, “Grain boundary width, energy and self-diffusion in nickel: effect of material purity,” Acta Mater. 61, No. 14, 5188–5197 (2013).CrossRef
25.
G. J. Thomas, R. W. Siegel, and J. A. Eastman, “Grain boundaries in nanophase palladium: High resolution electron microscopy and image simulation,” Scr. Metall. Mater. 24, 201–206 (1990).CrossRef
26.
B. Fultz, H. Kuwano, and H. Ouyang, “Average widths of grain boundaries in nanophase alloys synthesized by mechanical attrition,” J. Appl. Phys. 77, 3458–3466 (1995).CrossRef
27.
A. Hallil, A. Metsu, J. Bouhattate, and X. Feaugas, “Correlation between vacancy formation and Σ3 grain boundary structures in nickel from atomistic simulations,” Philos. Mag. 96, No. 20, 2088–2114 (2016).CrossRef
28.
A. Suzuki and Y. Mishin, “Atomistic modeling of point defects and diffusion in copper grain boundaries,” Interf. Sci. 11, 131–148 (2003).CrossRef
29.
N. Chen, L.-L. Niu, Y. Zhang, X. Shu, H.-B. Zhou, S. Jin, G. Ran, G.-H. Lu, and F. Gao, “Energetics of vacancy segregation to [100] symmetric tilt grain boundaries in bcc tungsten,” Sci. Rep. 6, 36955 (2016).CrossRef
Metadaten
Titel
Structure and Energy of Symmetric Tilt Boundaries with the 〈110〉 Axis in Ni and the Energy of Formation of Vacancies in Grain Boundaries
verfasst von
M. G. Urazaliev
M. E. Stupak
V. V. Popov
Publikationsdatum
01.07.2021
Verlag
Pleiades Publishing
Erschienen in
Physics of Metals and Metallography / Ausgabe 7/2021
Print ISSN: 0031-918X
Elektronische ISSN: 1555-6190
DOI
https://doi.org/10.1134/S0031918X21070139

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