TY - JOUR
T1 - Ab initio reappraisal of the dislocation-associated stacking faults in hcp titanium
T2 - a new dissociation mechanism
AU - Liang, L.
AU - Hardouin Duparc, O. B.M.
N1 - Publisher Copyright:
© 2016 Informa UK Limited, trading as Taylor & Francis Group.
PY - 2017/1/2
Y1 - 2017/1/2
N2 - The ‹c + a› slip is a secondary slip system in hexagonal close-packed metals which is often activated when they undergo a c-axis deformation. The behaviour of the ‹c + a› screw dislocation remains unclear. Via ab initio calculations with an all atom all direction relaxation method, we find a stable 0.57 ‹c + a› stacking fault on {11 22} plane (π2)and a stable nanotwinned 0.215 { 10 12} stacking fault on { 10 11} plane (π1) in α-Ti. Based on these results, we propose a ‹c + a› screw dislocation dissociation mechanism which allows a split to three partials. This suggests a more complex ‹c + a› screw dislocation-related cross-slip mechanism.
AB - The ‹c + a› slip is a secondary slip system in hexagonal close-packed metals which is often activated when they undergo a c-axis deformation. The behaviour of the ‹c + a› screw dislocation remains unclear. Via ab initio calculations with an all atom all direction relaxation method, we find a stable 0.57 ‹c + a› stacking fault on {11 22} plane (π2)and a stable nanotwinned 0.215 { 10 12} stacking fault on { 10 11} plane (π1) in α-Ti. Based on these results, we propose a ‹c + a› screw dislocation dissociation mechanism which allows a split to three partials. This suggests a more complex ‹c + a› screw dislocation-related cross-slip mechanism.
KW - First-principles
KW - dislocation dissociation
KW - stacking faults
U2 - 10.1080/09500839.2016.1265680
DO - 10.1080/09500839.2016.1265680
M3 - Article
AN - SCOPUS:85003422093
SN - 0950-0839
VL - 97
SP - 19
EP - 26
JO - Philosophical Magazine Letters
JF - Philosophical Magazine Letters
IS - 1
ER -