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Molecular dynamics simulation of fracture behaviors of 〈110〉 tilt grain boundaries in γ-TiAl
Alternative TitleMolecular dynamics simulation of fracture behaviors of 〈110〉 tilt grain boundaries in γ-TiAl
Zhao Wenjuan1; Xu Dongsheng2; Zhao Jingwei3; Wang Hao2
2014
Source PublicationTransactions of Nonferrous Metals Society of China
ISSN1003-6326
Volume24Issue:11Pages:3645-3651
AbstractMolecular dynamics (MD) simulations were carried out to study the fracture behaviors of several symmetric tilt grain boundaries in γ-TiAl bicrystals with 〈110〉 misorientation axes. Tensile deformation along direction perpendicular to grain boundary was simulated under various strain rates and temperatures. The results indicate that the relative orientation of the grains and the presence of certain atom units are two critical factors of the interface structure affecting the stress required for dislocation nucleation. Dislocations nucleate and extend at or near the symmetric tilt grain boundaries during the tensile deformation of Σ3 (111) 109.5°, Σ9 (221) 141.1° and Σ27 (552) 148.4° interfaces. For Σ27 (115) 31.6° and Σ11 (113) 50.5° interfaces, the interfaces fractured directly in a cleavage manner due to no dislocation emitted from the boundary. The tensile fracture mechanisms of the bicrystals are that micro-cracks nucleate at the grain boundary and propagate along the interface. The variance of crack propagation is whether there is accommodation of plastic region at the crack tips.
Other AbstractMolecular dynamics (MD) simulations were carried out to study the fracture behaviors of several symmetric tilt grain boundaries in γ-TiAl bicrystals with 〈110〉 misorientation axes. Tensile deformation along direction perpendicular to grain boundary was simulated under various strain rates and temperatures. The results indicate that the relative orientation of the grains and the presence of certain atom units are two critical factors of the interface structure affecting the stress required for dislocation nucleation. Dislocations nucleate and extend at or near the symmetric tilt grain boundaries during the tensile deformation of Σ3 (111) 109.5°, Σ9 (221) 141.1° and Σ27 (552) 148.4° interfaces. For Σ27 (115) 31.6° and Σ11 (113) 50.5° interfaces, the interfaces fractured directly in a cleavage manner due to no dislocation emitted from the boundary. The tensile fracture mechanisms of the bicrystals are that micro-cracks nucleate at the grain boundary and propagate along the interface. The variance of crack propagation is whether there is accommodation of plastic region at the crack tips.
Keywordγ-TiAl合金 倾斜晶界 分子动力学 拉伸变形 断裂
Indexed ByCSCD
Language英语
CSCD IDCSCD:5317058
Citation statistics
Cited Times:1[CSCD]   [CSCD Record]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/143667
Collection中国科学院金属研究所
Affiliation1.湘潭大学
2.中国科学院金属研究所
3.卧龙岗大学
Recommended Citation
GB/T 7714
Zhao Wenjuan,Xu Dongsheng,Zhao Jingwei,等. Molecular dynamics simulation of fracture behaviors of 〈110〉 tilt grain boundaries in γ-TiAl[J]. Transactions of Nonferrous Metals Society of China,2014,24(11):3645-3651.
APA Zhao Wenjuan,Xu Dongsheng,Zhao Jingwei,&Wang Hao.(2014).Molecular dynamics simulation of fracture behaviors of 〈110〉 tilt grain boundaries in γ-TiAl.Transactions of Nonferrous Metals Society of China,24(11),3645-3651.
MLA Zhao Wenjuan,et al."Molecular dynamics simulation of fracture behaviors of 〈110〉 tilt grain boundaries in γ-TiAl".Transactions of Nonferrous Metals Society of China 24.11(2014):3645-3651.
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