Atomistic ordering in body centered cubic Uranium-Zirconium alloy

Alex P. Moore, Ben Beeler, Michael Baskes, Maria Okuniewski, Chaitanya S. Deo

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

7 Scopus citations

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.

Original languageEnglish
Title of host publicationAdvances in Materials for Nuclear Energy
Pages27-35
Number of pages9
DOIs
StatePublished - 2013
Externally publishedYes
Event2012 MRS Fall Meeting - Boston, MA, United States
Duration: Nov 25 2012Nov 30 2012

Publication series

NameMaterials Research Society Symposium Proceedings
Volume1514
ISSN (Print)0272-9172

Conference

Conference2012 MRS Fall Meeting
Country/TerritoryUnited States
CityBoston, MA
Period11/25/1211/30/12

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