associated high energy barrier. Here, omega (ω) phase transformation in single-crystal
niobium (Nb) under compression at 77 K was studied by atomistic characterization and
density functional theory (DFT) calculation. The ω phases were found to nucleate
preferentially at the boundaries of 112 shear bands, via a sequence of BCC-to-ω structural
transformation induced by shear stress. Theoretically, calculations reveal that the formation …