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

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

Journal Article · Wed Nov 01 00:00:00 EDT 2017 · Journal of Nuclear Materials

DOI:https://doi.org/10.1016/j.jnucmat.2017.08.025· OSTI ID:1396008

Beeler, Benjamin; ; Andersson, David; ; Zhang, Yongfeng

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.

View Accepted Manuscript (DOE)

Research Organization:: Idaho National Lab. (INL), Idaho Falls, ID (United States)

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

Grant/Contract Number:: AC07-05ID14517

OSTI ID:: 1396008

Alternate ID(s):: OSTI ID: 1414104
OSTI ID: 1549736

Report Number(s):: INL/JOU--16-39182; PII: S0022311517302660

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

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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