On the techniques for observing fission gas bubbles in uranium

On the accurate description of uranium metallic phases: a MEAM interatomic potential approach

“…The energy value for the (0 0 1) surface is consistent with that calculated by Taylor [14] using a PAW method, differing in the relaxation sign of the first layer. The obtained values for all of the studied orientations are higher than the available experimental estimations [49,50].…”

“…For this purpose, a slab with more than 15 atomic layers is constructed with the appropriate orientation and using the equilibrium lattice parameters given by the MEAM potential. The surfaces are separated by an empty space that is several lattice parameters wide so that there [14] 1.8 -3.6 +1.0 Polycrystals [49] 1.0-1.49 Fission bubbles [50] 1.0 ± 0.5 is no interaction between periodic images. The slab is then relaxed at constant cell volume.…”

Lattice expansion by intrinsic defects in uranium by molecular dynamics simulation

“…Finally, the (001) surface energy is calculated and shown to match with experiment, but it is substantially smaller than other MD results and the two independent GGA calculations. Reference: a [20]; b [9]; c [18]; d [29]; e [34]; f [35].…”