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首页> 外文期刊>Journal of Materials Research >Shear and shuffle in {1122}〈1123〉 twinning in titanium
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Shear and shuffle in {1122}〈1123〉 twinning in titanium

机译：{1122} <1123>中的剪切和混洗与钛金属孪生

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摘要

In classical twinning theory, the K_2 plane of {1122}〈1123〉 twinning mode was predicted to be {1124}, 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 {1122} 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 = {1124} leads to very complex shuffles despite the small twinning shear and is unfavorable. If K_2 = {1122}, 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.
机译：在经典孪生理论中，{1122} 〈1123〉孪生模式的K_2平面被预测为{1124}，孪生剪切为〜0.22，这在实验上是“确定的”。但是，这些孪生元素无法在原子模拟中复制或验证。模拟中的K_2平面始终为（0001），但此K_2平面将导致1.26的名义孪生剪切力过大。在这项工作中，进行了原子模拟以研究{1122}孪晶边界在钛（Ti）中的迁移。首次对三种不同的报道的K_2平面的剪切和原子混洗进行了详细分析。分析表明，尽管孪生剪切较小，但K_2 = {1124}会导致非常复杂的混洗，因此是不利的。如果K_2 = {1122}，则只有一半的母原子参与改组，但是孪生剪切非常大（0.96），因此也是不利的。当K_2 =（0001）时，母体原子部分地通过剪切而部分地通过简单的混洗而携带到孪生位置。因为混洗对孪生剪切没有贡献，所以实际的孪生剪切为0.66，而不是1.26。因此，K_2 =（0001）是最有利的，并且可以调和模拟结果与经典孪生理论之间的冲突。

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  • 来源
    《Journal of Materials Research》 |2015年第24期|3795-3802|共8页
  • 作者

    Bin Li;

  • 作者单位

    Department of Chemical and Materials Engineering, University of Nevada, Reno, Nevada 89557, USA;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);美国《生物学医学文摘》(MEDLINE);
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  • 正文语种 eng
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