Calendar Details

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Thursday, February 21

Gamma-Uranium Surface Structure and Reactions

Neal Davis, University of Illinois at Urbana-Champaign, Urbana
Materials Science & Technology Division Seminar
11:00 AM — 12:00 PM, High Temperature Materials Laboratory (HTML), Building 4515, Room 265
Contact: Olivier Delaire (delaireoa@ornl.gov), 865.576.4644

Abstract

The chemistry of gamma-uranium is of primary importance for metal-fueled fast reactors which have been suggested as a key component of future fuel cycles. However, despite the fascinating chemistry of uranium, experimental difficulties have limited the scope of studies until recent years when theoretical methods have begun to adequately describe the correlated f-shell electrons of the lower actinides. In particular, the surface reactions of gamma-uranium have been little studied using theoretical methods. Prior work in surface reaction simulation will be briefly reviewed and possible reaction mechanisms for gamma-uranium surface oxidation and dissolution will be discussed. Results for surface structure and chemical adsorption based on investigation using the plane-wave pseudopotential formulation of density functional theory will be presented, and directions for further inquiry will be suggested.