A modified Embedded-Atom Method interatomic potential for uranium-silicide

Beeler, Benjamin; Baskes, Michael; Andersson, David; Cooper, Michael W. D.; Zhang, Yongfeng

doi:10.1016/j.jnucmat.2017.08.025

Title: A modified Embedded-Atom Method interatomic potential for uranium-silicide

Journal Article · Fri Aug 18 00:00:00 EDT 2017 · Journal of Nuclear Materials

DOI:https://doi.org/10.1016/j.jnucmat.2017.08.025· OSTI ID:1414104

Beeler, Benjamin ^[1];

^[2]; Andersson, David ^[3];

^[3]; Zhang, Yongfeng ^[1]

Idaho National Lab. (INL), Idaho Falls, ID (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Univ. of California, San Diego, CA (United States); Mississippi State Univ., Mississippi State, MS (United States)
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Uranium-silicide (U-Si) fuels are being pursued as a possible accident tolerant fuel (ATF). U-Si fuels benefit from higher thermal conductivity and higher fissile density compared to UO2. In order to perform engineering scale nuclear fuel performance simulations, the material properties of the fuel must be known. Currently, the experimental data available for U-Si fuels is rather limited. Thus, multiscale modeling efforts are underway to address this gap in knowledge. In this study, a semi-empirical Modified Embedded Atom Method (MEAM) potential is presented for the description of the U-Si system. The potential accurately describes not only the primary phase of interest (U3Si2), but also a variety of U-Si phases across the composition spectrum.

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Research Organization:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Idaho National Lab. (INL), Idaho Falls, ID (United States)

Sponsoring Organization:: USDOE Office of Nuclear Energy (NE)

Grant/Contract Number:: AC52-06NA25396; AC07-05ID14517

OSTI ID:: 1414104

Alternate ID(s):: OSTI ID: 1396008; OSTI ID: 1549736

Report Number(s):: LA-UR-17-21456; INL/JOU-16-39182; TRN: US1800634

Journal Information:: Journal of Nuclear Materials, Vol. 495, Issue C; ISSN 0022-3115

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 23 works

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