Phase transformation behavior in titanium single-crystal nanopillars under [0 0 0 1] orientation tension: A molecular dynamics simulation

Molecular dynamics simulations reveal a rare phase transformation from the hexagonal close-packed (hcp) phase to the face-centered cubic (fcc) phase inside the { 1 0 1 ¯ 2 } 〈 1 0 1 ¯ 1 〉 twinning region in high-purity α-titanium (Ti) single-crystal nanopillars orientated along [0 0 0 1] during tension. This unique hcp to fcc phase transformation is induced by dislocation glide of multiple Shockley partial dislocations under the condition of size restriction.