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

             

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

Abstract

Molecular dynamics simulations reveal a rare phase transformation from the hexagonal close-packed (hcp) phase to the face-centered cubic (fcc) phase inside the View the MathML source{101¯2}View the MathML source〈101¯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.

 

Keywords

  • Molecular dynamics;
  • Titanium;
  • Dislocations;
  • Twinning;
  • Phase transformations

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