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

Abstract

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.

Authors:
; ORCiD logo; ; ORCiD logo;
Publication Date:
Research Org.:
Idaho National Lab. (INL), Idaho Falls, ID (United States); Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE Office of Nuclear Energy (NE)
OSTI Identifier:
1414104
Alternate Identifier(s):
OSTI ID: 1396008
Report Number(s):
INL/JOU-16-39182; LA-UR-17-21456
Journal ID: ISSN 0022-3115; PII: S0022311517302660
Grant/Contract Number:  
AC07-05ID14517; AC52-06NA25396
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Nuclear Materials
Additional Journal Information:
Journal Volume: 495; Journal Issue: C; Journal ID: ISSN 0022-3115
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS; 36 MATERIALS SCIENCE; accident-tolerant fuel; modified Embedded-Atom Method; molecular dynamics; uranium-silicide

Citation Formats

Beeler, Benjamin, Baskes, Michael, Andersson, David, Cooper, Michael W. D., and Zhang, Yongfeng. A modified Embedded-Atom Method interatomic potential for uranium-silicide. United States: N. p., 2017. Web. doi:10.1016/j.jnucmat.2017.08.025.
Beeler, Benjamin, Baskes, Michael, Andersson, David, Cooper, Michael W. D., & Zhang, Yongfeng. A modified Embedded-Atom Method interatomic potential for uranium-silicide. United States. doi:10.1016/j.jnucmat.2017.08.025.
Beeler, Benjamin, Baskes, Michael, Andersson, David, Cooper, Michael W. D., and Zhang, Yongfeng. Wed . "A modified Embedded-Atom Method interatomic potential for uranium-silicide". United States. doi:10.1016/j.jnucmat.2017.08.025. https://www.osti.gov/servlets/purl/1414104.
@article{osti_1414104,
title = {A modified Embedded-Atom Method interatomic potential for uranium-silicide},
author = {Beeler, Benjamin and Baskes, Michael and Andersson, David and Cooper, Michael W. D. and Zhang, Yongfeng},
abstractNote = {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.},
doi = {10.1016/j.jnucmat.2017.08.025},
journal = {Journal of Nuclear Materials},
number = C,
volume = 495,
place = {United States},
year = {Wed Nov 01 00:00:00 EDT 2017},
month = {Wed Nov 01 00:00:00 EDT 2017}
}

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