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Study of grain boundaries in polycrystalline Cr, Ta and W using nuclear gamma-resonance spectroscopy: Formation enthalpies of vacancy-oxygen complexes and single vacancies in grain boundaries, and dynamic properties of the grain boundary core in polycrystals of BCC metals

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Abstract

The formation of complexes of vacancies with oxygen atoms (complexes-VacO) in the core of grain-boundary (GB) leads to a dependency of the isomer shifts δ1 of components-1 in NGR emission spectra of 57Co(57Fe) atomic probes localized in the GB core on the annealing temperature of polycrystalline metals in a technical vacuum. The formation enthalpies of complexes-VacO, Q cmpl, 1, and single vacancies, Q Vac, 1, in the GB core (states-1) in Cr, Ta and W polycrystals have been measured for the first time. Dynamic contributions to formation enthalpies Q Vac, 1 of single vacancies localized in the GB core in the state-1 and dynamic contributions to formation enthalpies Q cmpl, i of complexes-VacO, which were localized in the lattice regions adjacent to GB’s (Adjacent Lattice Regions, ALR’s), states-2, and in the GB core, states-1, have been separated. The dynamic contribution to the formation enthalpy Q Vac,1 of vacancies and Q cmpl, 1 of complexes-VacO in the GB core was several times smaller than the contribution to the formation enthalpy Q Vac, vol of vacancies in the bulk of the crystallites because of low-frequency resonance modes of local collective vibrations of intrinsic atoms in the GB core.

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Authors and Affiliations

  1. Institute of Metal Physics, Ural Branch RAS, 620219, Ekaterinburg, RF

    S. M. Klotsman, V. N. Kaigorodov & M. S. Dudarev

  2. “Ekaterinburg Nonferrous Metals Processing Plant”, JSC, 620040, Ekaterinburg, RF

    A. V. Ermakov & V. K. Rudenko

Authors
  1. S. M. Klotsman
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  2. V. N. Kaigorodov
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  3. M. S. Dudarev
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  4. A. V. Ermakov
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  5. V. K. Rudenko
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Correspondence to S. M. Klotsman.

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Klotsman, S.M., Kaigorodov, V.N., Dudarev, M.S. et al. Study of grain boundaries in polycrystalline Cr, Ta and W using nuclear gamma-resonance spectroscopy: Formation enthalpies of vacancy-oxygen complexes and single vacancies in grain boundaries, and dynamic properties of the grain boundary core in polycrystals of BCC metals. J Mater Sci 40, 2807–2813 (2005). https://doi.org/10.1007/s10853-005-2412-y

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