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Original Articles

Molecular dynamics study of self-diffusion in Zr

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Pages 637-654 | Received 11 Feb 2009, Accepted 27 Jul 2009, Published online: 28 Jan 2010

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Marcin Maździarz, Jerzy Rojek & Szymon Nosewicz. (2018) Molecular dynamics study of self-diffusion in stoichiometric B2-NiAl crystals. Philosophical Magazine 98:24, pages 2257-2274.
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M.N. Magomedov. (2022) Dependencies of the parameters of vacancy formation and self-diffusion in a single-component crystal on temperature and pressure. Journal of Physics and Chemistry of Solids 165, pages 110653.
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Hai-Jin Lu, Henry Wu, Nan Zou, Xiao-Gang Lu, Yan-Lin He & Dane Morgan. (2018) First-principles investigation on diffusion mechanism of alloying elements in dilute Zr alloys. Acta Materialia 154, pages 161-171.
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Alexandra V. Semenycheva, Vladimir N. Chuvil'deev & Aleksey V. Nokhrin. (2018) A theoretical model of grain boundary self-diffusion in metals with phase transitions (case study into titanium and zirconium). Physica B: Condensed Matter 537, pages 105-110.
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Mikael Christensen, Walter Wolf, Clive Freeman, Erich Wimmer, Ronald B. Adamson, Lars Hallstadius, Paul E. Cantonwine & Erik V. Mader. 2018. Zirconium in the Nuclear Industry: 18th International Symposium. Zirconium in the Nuclear Industry: 18th International Symposium 645 675 .
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Qing Peng, Wei Ji, Jie Lian, Fei Gao, Shuming Peng, Hanchen Huang & Suvranu De. (2016) A first-principles study of the avalanche pressure of alpha zirconium. RSC Advances 6:76, pages 72551-72558.
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Dongwoo Lee, Joost J. Vlassak & Kejie Zhao. (2015) First-Principles Theoretical Studies and Nanocalorimetry Experiments on Solid-State Alloying of Zr–B. Nano Letters 15:10, pages 6553-6558.
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D. E. Smirnova, A. Yu. Kuksin, S. V. Starikov & V. V. Stegailov. (2015) Atomistic modeling of the self-diffusion in γ-U and γ-U-Mo. The Physics of Metals and Metallography 116:5, pages 445-455.
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M. Christensen, W. Wolf, C. Freeman, E. Wimmer, R.B. Adamson, L. Hallstadius, P.E. Cantonwine & E.V. Mader. (2015) Diffusion of point defects, nucleation of dislocation loops, and effect of hydrogen in hcp-Zr: Ab initio and classical simulations. Journal of Nuclear Materials 460, pages 82-96.
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Alexander V. Evteev, Elena V. Levchenko, Irina V. Belova & Graeme E. Murch. (2011) Molecular dynamics simulation of diffusion in a (110) B2-NiAl film. Intermetallics 19:7, pages 848-854.
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