Localization model description of diffusion and structural relaxation in superionic crystalline UO2.

We test the Localization Model (LM) prediction of a parameter-free relationship between the α-structural relaxation time τα and the oxygen ion diffusion coefficient DO with the Debye-Waller factor ⟨u2⟩ for crystalline UO2 under superionic conditions where large anharmonic interactions lead to non-Arrhenius relaxation and high ion mobility. As in a previous study of structural relaxation in Cu-Zr metallic glass materials having a range of compositions, we find that the LM relationship between the picosecond atomic dynamics ("fast" beta relaxation) and the long-time structural relaxation time and oxygen ion diffusion coefficient holds to an excellent approximation without any free parameters over the full range of temperatures and pressures investigated in our simulations.

• Publication year

  2019

• Venue

  Journal of Chemical Physics

• Publication date

  2019-08-15

• Fields of study

  Materials Science, Physics, Medicine

• Identifiers
  DOI 10.1063/1.5115067PMID 31438717
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

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