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

[Display omitted] Molecular dynamics simulations reveal a rare phase transformation from the hexagonal close-packed (hcp) phase to the face-centered cubic (fcc) phase inside the {101¯2}〈101¯1〉 twinning region in high-purity α-titanium (Ti) single-crystal nanopillars orientated along [0001] during te...

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Bibliographic Details
Published in:Computational materials science 2014-09, Vol.92, p.8-12
Main Authors: Ren, Junqiang, Sun, Qiaoyan, Xiao, Lin, Ding, Xiangdong, Sun, Jun
Format: Article
Language:English
Subjects:
Close packed lattices
Computer simulation
Condensed matter: structure, mechanical and thermal properties
Dislocations
Equations of state, phase equilibria, and phase transitions
Exact sciences and technology
Hexagonal cells
Molecular dynamics
Nanostructure
Phase transformations
Physics
Specific phase transitions
Structural transitions in nanoscale materials
Titanium
Twinning
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Summary:[Display omitted] Molecular dynamics simulations reveal a rare phase transformation from the hexagonal close-packed (hcp) phase to the face-centered cubic (fcc) phase inside the {101¯2}〈101¯1〉 twinning region in high-purity α-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.
ISSN:0927-0256
1879-0801
DOI:10.1016/j.commatsci.2014.05.018