Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 92, Issue -, Pages 8-12Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.commatsci.2014.05.018
Keywords
Molecular dynamics; Titanium; Dislocations; Twinning; Phase transformations
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Funding
- National Natural Science Foundation of China [51271136, 51071118, 51171140, 50831004]
- 973 Program of China [2010CB631003]
- 111 Project of China [B06025]
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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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