Molecular dynamics studies of grain boundary mobility and anisotropy in BCC γ-uranium

On the Variability of Grain Boundary Mobility in the Isoconfigurational Ensemble

“…Grain rotation has been widely observed during grain growth and plastic deformation, and like grain boundary migration, is also a crucial part of microstructural evolution. The rotation of the embedded cylindrical grain has been observed in the shrinking cylinder systems [9,10,12], in agreement with Cahn and Taylor's model for shear-coupling induced grain rotation [24]. In our simulations, the differences in reduced mobility for the fixed and freely shrinking boundaries can be attributed to grain rotation.…”

“…We implement the well-known shrinking cylindrical grain model [8][9][10][11][12] in the isoconfigurational ensemble, using MD simulations. The shrinking cylindrical grain method has been widely applied in the study of grain boundary motion, but none of the previous works have taken into account the effects of initial velocity distributions on grain boundary motion.…”

Atomistic simulation of deformation twinning in nanocrystalline body-centered cubic U–Mo alloys

“…Among the above alloys, the U–Mo alloy is the most promising. 5 Mo (molybdenum) exhibits a high solubility (about 35 at%) in γ-U at high temperatures over 833 K. Below this temperature, however, Mo-dissolved γ-U alloy will be decomposed into U 2 –Mo and α-U. 6,7 A previous study has suggested that U alloyed with Mo can stabilize its bcc structure at low temperatures.…”