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Atomistic modeling of the self-diffusion in γ-U and γ-U-Mo

  • Structure, Phase Transformations, and Diffusion
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Abstract

Results of investigations of the self-diffusion in gamma-uranium and metallic U-Mo alloys are presented. Calculations are performed using the method of atomistic modeling with the help of interatomic potentials based on the embedded-atom model and its modifications. Proposed potentials are verified by calculating thermodynamic and mechanical properties of uranium and U-Mo alloys. The formation energies of point defects and atomic diffusivities due to the diffusion of defects are calculated for gamma-uranium and alloy containing 9 wt % molybdenum. Self-diffusion coefficients of uranium and molybdenum are evaluated. Based on the data obtained, it has been concluded that the experimentally observed features of the self-diffusion in gamma-uranium can be explained by the prevalence of the interstitial mechanism.

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Authors and Affiliations

  1. Joint Institute for High Temperatures, Russian Academy of Sciences, Izhorskaya ul. 13/19, Moscow, 127412, Russia

    D. E. Smirnova, A. Yu. Kuksin, S. V. Starikov & V. V. Stegailov

  2. Moscow Institute of Physics and Technology (State University), Institutskii per. 9, Dolgoprudnyi, Moscow oblast, 141700, Russia

    A. Yu. Kuksin, S. V. Starikov & V. V. Stegailov

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  1. D. E. Smirnova
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  2. A. Yu. Kuksin
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  3. S. V. Starikov
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  4. V. V. Stegailov
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Correspondence to D. E. Smirnova.

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Original Russian Text © D.E. Smirnova, A.Yu. Kuksin, S.V. Starikov, V.V. Stegailov, 2015, published in Fizika Metallov i Metallovedenie, 2015, Vol. 116, No. 5, pp. 473–483.

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Smirnova, D.E., Kuksin, A.Y., Starikov, S.V. et al. Atomistic modeling of the self-diffusion in γ-U and γ-U-Mo. Phys. Metals Metallogr. 116, 445–455 (2015). https://doi.org/10.1134/S0031918X1503014X

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