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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

Published online by Cambridge University Press:  22 December 2015

Bin Li
Bin Li*
Affiliation:
Department of Chemical and Materials Engineering, University of Nevada, Reno, Nevada 89557, USA
*
a) Address all correspondence to this author. e-mail: binl@unr.edu
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Abstract

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.

Keywords

titaniumtwinningdislocationshear and shuffle

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Type
Articles
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Journal of Materials Research , Volume 30 , Issue 24 , 28 December 2015 , pp. 3795 - 3802
Copyright
Copyright © Materials Research Society 2015 

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Footnotes

Contributing Editor: Susan B. Sinnott

References

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