首页|密排六方钛中基面堆垛层错导致的孪晶界滑移、孪生台阶及孪晶生长:第一性原理研究

密排六方钛中基面堆垛层错导致的孪晶界滑移、孪生台阶及孪晶生长:第一性原理研究

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基于第一性原理计算研究密排六方结构钛中{101n}共格孪晶界和滑移孪晶界的结构和能量,探讨滑移孪晶界的形成机理及其与孪晶生长的关系.结果表明,共格孪晶界与基面堆垛层错的相互作用可使共格孪晶界产生滑移,从而形成对应的滑移孪晶界.这种滑移最终能在孪晶界处形成一对单层孪生台阶,并恢复共格孪晶界的结构.孪生台阶的塞积可导致高分辨率透射电镜观察到的孪晶界上的台阶宽化,进一步促进孪晶的生长.此外,还评估多种合金化元素对孪晶界滑移的钉扎效应,为钛合金的强化设计提供指导.
Basal stacking fault induced twin boundary gliding, twinning disconnection and twin growth in hcp Ti from the first-principles
First-principles calculations were performed to investigate the structures and energetics of {101n} coherent twin boundaries (CTBs) and glide twin boundaries (GTBs) in hexagonal close-packed (hcp) Ti. The formation mechanism of GTBs and their correlation with twin growth were fundamentally explored. Results suggested that GTBs can form from the gliding of CTBs, through their interaction with basal stacking fault. The gliding eventually restored the CTB structures by forming a pair of single-layer twinning disconnections. The pile-up of twinning disconnections should be responsible for the wide steps at twin boundaries as observed in high-resolution transmission electron microscopy, which can further promote twin growth. Possible effects of various alloying elements on pinning twin boundaries were also evaluated, to guide the strengthening design of Ti alloys.

twin boundarystacking faulttwinning disconnectiontwin growthfirst principles

钱琦、刘正卿、江勇、王怡人、安星龙、宋旼

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中南大学材料科学与工程学院,长沙 410083

中南大学粉末冶金国家重点实验室,长沙 410083

孪晶界 层错 孪生台阶 孪晶生长 第一性原理

authors would like to thank the financial support from the National MCF Energy R & D Program of ChinaNational Natural Science Foundation of ChinaState Key Laboratory for Powder Metallurgy, Central South University, Changsha, China

2018YFE030610051971249

2021

10.1016/S1003-6326(21)65503-6

中国有色金属学报(英文版)
中国有色金属学会

中国有色金属学报(英文版)

CSTPCDCSCDSCI
影响因子：1.183
ISSN：1003-6326
年,卷(期)：2021.31(2)
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