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DOE OSTI · 1396008

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

Beeler, Benjamin·Baskes, Michael (ORCID:000000015584767X)·Andersson, David·Cooper, Michael W. D. (ORCID:0000000182707947)·Zhang, Yongfeng
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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.

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11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS36 MATERIALS SCIENCEaccident-tolerant fuelmodified Embedded-Atom Methodmolecular dynamicsuranium-silicide

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Beeler, Benjamin, Baskes, Michael (ORCID:000000015584767X), Andersson, David, Cooper, Michael W. D. (ORCID:0000000182707947), Zhang, Yongfeng. 2017-11-01. A modified Embedded-Atom Method interatomic potential for uranium-silicide. https://doi.org/10.1016/j.jnucmat.2017.08.025

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