Defect Formation Mechanisms and Point Defect Concentrations in the Anion Sublattice of Uranium Dioxide: Molecular Dynamics Study

Research output: Contribution to journalArticleResearchpeer-review

Original languageEnglish
Pages (from-to)461-480
Number of pages20
JournalCommunications in Computational Physics
Volume25
Issue number2
DOIs
Publication statusPublished - Feb 2019

Keywords

  • Molecular dynamics
  • uranium dioxide
  • defect concentration
  • exchange diffusion
  • superionic state
  • point defects model
  • FAST-ION CONDUCTION
  • NEUTRON-SCATTERING
  • THERMAL-CONDUCTIVITY
  • COMPUTER-SIMULATION
  • SELF-DIFFUSION
  • TEMPERATURES
  • POTENTIALS
  • DISORDER
  • SRCL2
  • UO2

WoS ResearchAreas Categories

  • Physics, Mathematical

Cite this

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title = "Defect Formation Mechanisms and Point Defect Concentrations in the Anion Sublattice of Uranium Dioxide: Molecular Dynamics Study",
keywords = "Molecular dynamics, uranium dioxide, defect concentration, exchange diffusion, superionic state, point defects model, FAST-ION CONDUCTION, NEUTRON-SCATTERING, THERMAL-CONDUCTIVITY, COMPUTER-SIMULATION, SELF-DIFFUSION, TEMPERATURES, POTENTIALS, DISORDER, SRCL2, UO2",
author = "Kovalenko, {M. A.} and Kupryazhkin, {A. Ya.} and Gupta, {Sanjeev K.}",
year = "2019",
month = "2",
doi = "10.4208/cicp.OA-2017-0190",
language = "English",
volume = "25",
pages = "461--480",
journal = "Communications in Computational Physics",
issn = "1815-2406",
publisher = "Global Science Press",
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}

Defect Formation Mechanisms and Point Defect Concentrations in the Anion Sublattice of Uranium Dioxide: Molecular Dynamics Study. / Kovalenko, M. A.; Kupryazhkin, A. Ya.; Gupta, Sanjeev K.

In: Communications in Computational Physics, Vol. 25, No. 2, 02.2019, p. 461-480.

Research output: Contribution to journalArticleResearchpeer-review

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AU - Kupryazhkin, A. Ya.

AU - Gupta, Sanjeev K.

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KW - point defects model

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KW - NEUTRON-SCATTERING

KW - THERMAL-CONDUCTIVITY

KW - COMPUTER-SIMULATION

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KW - POTENTIALS

KW - DISORDER

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KW - UO2

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EP - 480

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