Nuclear Engineering and Technology

  • 제52권10호
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  • Pages.2285-2289
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  • 2020
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  • 1738-5733(pISSN)
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  • 2234-358X(eISSN)
한국원자력학회 (Korean Nuclear Society)
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Computational study of protactinium incorporation effects in Th and Th compounds

  • Daroca, D. Perez (Gerencia de Investigacion y Aplicaciones, Comision Nacional de Energia Atomica) ;
  • Llois, A.M. (Gerencia de Investigacion y Aplicaciones, Comision Nacional de Energia Atomica) ;
  • Mosca, H.O. (Gerencia de Investigacion y Aplicaciones, Comision Nacional de Energia Atomica)
  • 투고 : 2019.07.30
  • 심사 : 2020.03.16
  • 발행 : 2020.10.25
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초록

Protactinium contamination is a mayor issue in the thorium fuel cycle. We investigate, in this work, the consequences of Pa incorporation in vacancy defects and interstitials in Th, ThC and ThN. We calculate charge transfers and lattice distortions due to these incorporations as well as migration paths and energies involved in the diffusion of Pa.

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참고문헌

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피인용 문헌

  1. Mechanical and thermodynamic stability, structural, electronics and magnetic properties of new ternary thorium-phosphide silicides ThSixP1-x: First-principles investigation and p vol.53, pp.2, 2021, https://doi.org/10.1016/j.net.2020.07.019