Atomistic Simulation of High-Density Uranium Fuels

Figure 1

Comparison of the ab initio (see text for the details of the calculations) results (solid curves) and BFS results (dashed curves) as a function of the lattice parameter (in Å) for U-Mo in the B2 structure. The vertical lines indicate the equilibrium lattice parameters of U and Mo in the bcc symmetry of the alloy (solid lines) and B2 U-Mo (dashed line), as computed by the ab initio code.