The assisting and stabilizing role played by ω phase during the {112}〈111〉_β twinning in Ti-Mo alloys:A first-principles insight

作     者：Qiu-Jie Chen Shang-Yi Ma Shao-Qing Wang Qiu-Jie Chen;Shang-Yi Ma;Shao-Qing Wang

作者机构：Shenyang National Laboratory for Materials ScienceInstitute of Metal ResearchChinese Academy of SciencesShenyang 110016China School of Materials Science and EngineeringUniversity of Science and Technology of ChinaShenyang 110016China 

出 版 物：《Journal of Materials Science & Technology》 (材料科学技术（英文版）)

年 卷 期：2021年第80卷第21期

页      面：163-170页

核心收录：

学科分类：08[工学] 080502[工学-材料学] 0805[工学-材料科学与工程（可授工学、理学学位）] 

基　　金：supported by the National Key R&D Program of China(No.2016YFB0701302) the CAS Frontier Science Research Project(No.QYZDJ-SSW-JSC015,QYZDY-SSW-JSC027) supported by the SYNL Basic Frontier&Technological Innovation Research Project(No.L2019R10) the computational support from the Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund(the second phase)under Grant No.U1501501 

主　　题：Titanium alloys Twin Interfacial twin boundary phase Generalized planar fault energy First-principles 

摘      要：The ω phase is commonly observed in β-Ti alloys and plays a significant role on various properties ofβ-Ti *** many results about the role of ω phase on mechanical properties of β-Ti alloys have been derived from theoretical and experimental studies,the role of ω phase on deformation mechanism hitherto remains elusive and deserves to be further *** this work,the role played by ω phase during the {112} _(β) twining in Ti-Mo alloys were investigated by first-principles calculations at atomic *** the energy favorable interface of(112)_(β)(110)_(ω),we found that partial dislocations slipping on the successive(1010)_(ω)planes of ω phase can lead to the formation of {112} _(β) twin *** the twin nucleus grows inwards ω grain interior through atomic ***,a new twinning mechanism of {112} _(β) assisted by ω phase was ***,our calculations indicated that the appearance of ITB(interfacial twin boundary) ω phase can improve the stability of the symmetrical{112} _(β) twin boundary(TB),which can well explain the experimental phenomenon that the ITBω phase always accompanies the formation of {112} _(β) ***,a probable microstructure evolution sequence was suggested,namely β matrix→β matrix+athermal ω phase→(112)[111]_(β) twin+ITB ω *** calculations provide new insights on the role played byω phase during the twinning process of {112} _(β),which can deepen the understanding on the deformation behaviors of β-Ti alloys.