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HomeDefect and Diffusion ForumDefect and Diffusion Forum Vol. 375Molecular Dynamics Simulations of the Excess...

Molecular Dynamics Simulations of the Excess Vacancy Evolution in V and V-4Ti

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Abstract:

Titanium additions suppress the radiation swelling in vanadium alloys, but the mechanism of the suppression is debatable. It is claimed that interactions of Ti atoms with vacancies in vanadium are crucial in the suppression. In this paper we study clustering of excess vacancies in pure V and V-4Ti by molecular dynamics simulations at 700 K based on our interatomic potentials constructed earlier for the Ti-V system. For pure V the process results in the formation of a Frank sessile dislocation while the clustering in V-4Ti ends with the formation of the Ti-vacancies complexes with a specific structure. This allows us to discuss a possible mechanism of the swelling reduction in V caused by Ti alloying.

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Periodical:

Defect and Diffusion Forum (Volume 375)

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153-166

DOI:

https://doi.org/10.4028/www.scientific.net/DDF.375.153

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Online since:

May 2017

Authors:

Anton Boev, I.V. Nelasov, Vyacheslav Maksimenko, Aleksey Lipnitskii*, Valery Saveliev, Andrey Kartamyshev

Keywords:

Interatomic Potentials, Molecular Dynamics, Vacancy Complexes, Vanadium-Titanium

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© 2017 Trans Tech Publications Ltd. All Rights Reserved

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