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Shear and shuffle in $\left\{ {{\bf 11}\bar {\bf2}{\bf 2}} \right\}\left\langle {{\bf11}\bar {\bf 2}\bar {\bf 3}} \right\rangle$ twinning in titanium
Ist Teil von
Journal of materials research, 2015-12, Vol.30 (24), p.3795-3802
Ort / Verlag
New York, USA: Cambridge University Press
Erscheinungsjahr
2015
Link zum Volltext
Quelle
Alma/SFX Local Collection
Beschreibungen/Notizen
In classical twinning theory, the K
2 plane of
$\left\{ {11\bar 22} \right\}\left\langle {11\bar 2\bar 3} \right\rangle$
twinning mode was predicted to be
$\left\{ {11\bar 2\bar 4} \right\}$
, with a twinning shear of ∼0.22 which was experimentally “confirmed”. However, these twinning elements cannot be reproduced or verified in atomistic simulations. The K
2 plane in the simulations is always (0001), but this K
2 plane would lead to a nominal twining shear of 1.26 which is unrealistically large. In this work, atomistic simulations were performed to investigate the migration of
$\left\{ {11\bar 22} \right\}$
twin boundary in titanium (Ti). Shear and atomic shuffles for three different, reported K
2 planes were analyzed in great detail, for the first time. The analyses show that
${K_2} = \{ 11\bar 2\bar 4\}$
leads to very complex shuffles despite the small twinning shear and is unfavorable. If
${K_2} = \{ 11\bar 2\bar 2\}$
, only half of the parent atoms are involved in the shuffling, but the twinning shear is very large (0.96) and is also unfavorable. When K
2 = (0001), the parent atoms are carried to twin positions partly by shear and partly by a simple shuffle. Because shuffling makes no contribution to the twinning shear, the actual twinning shear is 0.66, instead of 1.26. Thus, K
2 = (0001) is the most favorable and the conflict between the simulation results and the classical twinning theory can be reconciled.