Phase transformation behavior in titanium single-crystal nanopillars under 0001 orientation tension: A molecular dynamics simulation

JQ Ren and QY Sun and L Xiao and XD Ding and J Sun, COMPUTATIONAL MATERIALS SCIENCE, 92, 8-12 (2014).

DOI: 10.1016/j.commatsci.2014.05.018

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.

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