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Title: A novel approach to selection of dopant to immobilize neodymium in uranium-based metallic fuels

Abstract

Formation of intermetallic compounds of lanthanide fission products within uranium-based metallic fuels with added dopant(s) has been proposed to arrest fission products within the metallic-matrix, before lanthanides chemically react with cladding materials, leading to degradation of the cladding. Unlike previous trial-and-error approach, here we present ab-initio based generic alloy-design principles to identify dopant(s) for a given lanthanide to form dopant-lanthanide intermetallic. Our method correctly identifies previously known dopant like Pd, as well as predict novel dopants (AsandSe) which can bind fission product Nd within U-matrix. Formation of our expected NdAs intermetallic within the U-matrix has been confirmed experimentally.

Authors:
 [1];  [2];  [3];  [4];  [3];  [1];  [1]
  1. Univ. of Idaho, Moscow, ID (United States)
  2. Univ. of Idaho, Moscow, ID (United States); Idaho National Lab. (INL), Idaho Falls, ID (United States)
  3. Idaho National Lab. (INL), Idaho Falls, ID (United States)
  4. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Publication Date:
Research Org.:
Univ. of Idaho, Moscow, ID (United States)
Sponsoring Org.:
USDOE Office of Nuclear Energy (NE); USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1576590
Grant/Contract Number:  
NE0008557; AC07-05ID14517; 89233218CNA000001
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Nuclear Materials
Additional Journal Information:
Journal Volume: 529; Journal ID: ISSN 0022-3115
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; metallic fuel; fuel-cladding chemical interaction (FCCI); fuel additive; first-principles calculation

Citation Formats

Khanal, Rabi, Jerred, Nathan, Benson, Michael T., Andersson, David A., Mariani, Robert D., Charit, Indrajit, and Choudhury, Samrat. A novel approach to selection of dopant to immobilize neodymium in uranium-based metallic fuels. United States: N. p., 2019. Web. doi:10.1016/j.jnucmat.2019.151922.
Khanal, Rabi, Jerred, Nathan, Benson, Michael T., Andersson, David A., Mariani, Robert D., Charit, Indrajit, & Choudhury, Samrat. A novel approach to selection of dopant to immobilize neodymium in uranium-based metallic fuels. United States. doi:10.1016/j.jnucmat.2019.151922.
Khanal, Rabi, Jerred, Nathan, Benson, Michael T., Andersson, David A., Mariani, Robert D., Charit, Indrajit, and Choudhury, Samrat. Mon . "A novel approach to selection of dopant to immobilize neodymium in uranium-based metallic fuels". United States. doi:10.1016/j.jnucmat.2019.151922.
@article{osti_1576590,
title = {A novel approach to selection of dopant to immobilize neodymium in uranium-based metallic fuels},
author = {Khanal, Rabi and Jerred, Nathan and Benson, Michael T. and Andersson, David A. and Mariani, Robert D. and Charit, Indrajit and Choudhury, Samrat},
abstractNote = {Formation of intermetallic compounds of lanthanide fission products within uranium-based metallic fuels with added dopant(s) has been proposed to arrest fission products within the metallic-matrix, before lanthanides chemically react with cladding materials, leading to degradation of the cladding. Unlike previous trial-and-error approach, here we present ab-initio based generic alloy-design principles to identify dopant(s) for a given lanthanide to form dopant-lanthanide intermetallic. Our method correctly identifies previously known dopant like Pd, as well as predict novel dopants (AsandSe) which can bind fission product Nd within U-matrix. Formation of our expected NdAs intermetallic within the U-matrix has been confirmed experimentally.},
doi = {10.1016/j.jnucmat.2019.151922},
journal = {Journal of Nuclear Materials},
number = ,
volume = 529,
place = {United States},
year = {2019},
month = {12}
}

Journal Article:
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This content will become publicly available on December 2, 2020
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