Thermodynamics and Structure of Plutonium Alloys

The goal of this project was to investigate the chemical and structural effects of gallium and impurity elements, iron and nickel, on the phase behavior and crystallography of Pu-Ga alloys. This was done utilizing a theoretical chemical approach to predict binary and ternary alloy energetics, phase stability, and transformations. The modeling results were validated with experimental data derived from the synthesis of selected alloys and advanced characterization tools. The ultimate goal of this work was to develop a robust predictive capability for studying the thermodynamics and the structure-properties relationships in complex materials of high relevance to the Laboratory and DOE mission