A model of high-angle general-type grain boundaries is developed and grain-boundary diffusion of niobium in a Nb–Cu system is investigated using the method of molecular dynamics. The results of predictions of the effect of a copper impurity on grain-boundary self-diffusion of niobium are compared with the experimental data on diffusion annealing of multi-layered composites containing Cu/Nb boundaries. Recrystallization of polycrystalline niobium is investigated under the conditions of grain-boundary diffusion of copper.
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 3, pp. 84–90, March, 2013.
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Lipnitskii, A.G., Nelasov, I.V., Golosov, E.V. et al. A molecular-dynamics simulation of grain-boundary diffusion of niobium and experimental investigation of its recrystallization in a niobium-copper system. Russ Phys J 56, 330–337 (2013). https://doi.org/10.1007/s11182-013-0036-2
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DOI: https://doi.org/10.1007/s11182-013-0036-2