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Updated: May 5, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
Atomic simulations of (101¯2), (101¯1) twinning and (101¯2) detwinning in magnesium
Motohiro Yuasa1, Makoto Hayashi, Mamoru Mabuchi
1Materials Research Institute for Sustainable Development, National Institute of Advanced Industrial Science and Technology, 2266-98 Anagahora, Shimo-shidami, Moriyama, Nagoya 463-8560, Japan.
Abstract:
(101¯2) and (101¯1) twinning and (101¯2) detwinning for Mg were investigated from the viewpoint of mobility of twinning dislocations and atomic shuffling. First-principles calculations suggested that the twinning dislocations glide more readily for the (101¯1) twinning than for the (101¯2) twinning. However, this conflicts with the experimental fact of easier (101¯2) twin formation. On the other hand, molecular dynamics simulations showed that the atomic shuffling was more activated for the (101¯2) twinning than for the(101¯1) twinning, which corresponds to the experimental fact. Therefore, it is suggested that the rate-controlling process for the twin formation is the atomic shuffling. Moreover, the calculations and simulations showed that the twinning dislocations glide more readily for the (101¯2) detwinning than for the (101¯2) twinning, whereas the atomic shuffling is less activated for the detwinning, suggesting that the detwinning occurs easily but is unstable, resulting in easy repetition of twinning-detwinning.
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