Atomistic Simulation of High-Density Uranium Fuels

Figure 4

Energetics of the computational cell as a Si atom (black disk) goes from the Al (open circle) matrix to the U (grey circles) fuel. The chemical and total energy contributions of the Si atom are shown in each case in a thick rectangle. The total energies of U or Al atoms are indicated in dashed and thin rectangles, respectively. The difference in energy (in eV) with respect to the lowest energy state (left top corner) is noted below each graph.