Phase transformation behavior in titanium single-crystal nanopillars under [0001] 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 {10 (1) over bar2} < 10 (1) over bar1} twinning region in high-purity alpha-titanium (Ti) single-crystal nanopillars orientated along [0001] 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. (C) 2014 Elsevier B.V. All rights reserved.