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Atomistic Ordering in Body Centered Cubic Uranium-Zirconium Alloy

Published online by Cambridge University Press:  10 April 2013

Alex P. Moore,
Ben Beeler,
Michael Baskes,
Maria Okuniewski and
Chaitanya S. Deo
Alex P. Moore
Affiliation:
Nuclear and Radiological Engineering Program, George W Woodruff School of Mechanical Engineering, Georgia Institute of Technology, 770 State Street, Atlanta, GA 30332, USA
Ben Beeler
Affiliation:
Nuclear and Radiological Engineering Program, George W Woodruff School of Mechanical Engineering, Georgia Institute of Technology, 770 State Street, Atlanta, GA 30332, USA
Michael Baskes
Affiliation:
University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92093, USALos Alamos National Laboratory, PO Box 1663, Los Alamos, NM 87545, USA
Maria Okuniewski
Affiliation:
Idaho National Laboratory, PO Box 1625, Idaho Falls, ID 83415, USA
Chaitanya S. Deo
Affiliation:
Nuclear and Radiological Engineering Program, George W Woodruff School of Mechanical Engineering, Georgia Institute of Technology, 770 State Street, Atlanta, GA 30332, USA
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Abstract

The metallic binary-alloy fuel Uranium-Zirconium is important for the use of the new generation of advanced fast reactors. Uranium-Zirconium goes through a phase transition at higher temperatures to a (gamma) Body Centered Cubic (BCC) phase. The BCC high temperature phase is particularly important, since the BCC phase corresponds to the temperature range in which the fast reactors will operate. A semi-empirical MEAM (Modified Embedded Atom Method) potential is presented for Uranium-Zirconium. The physical properties of the Uranium-Zirconium binary alloy were reproduced using Molecular Dynamics (MD) simulations and Monte Carlo (MC) simulations with the MEAM potential. This is a large step in making a computationally acceptable fuel performance code.

Keywords

ZrUnuclear materials

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Type
Articles
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MRS Online Proceedings Library (OPL) , Volume 1514: Symposium HH – Advances in Materials for Nuclear Energy , 2013, pp. 27 - 35
Copyright
Copyright © Materials Research Society 2013 

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References

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