Molecular dynamics simulation of fracture behaviors of < 110 > tilt grain boundaries in gamma-TiAl

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	Molecular dynamics simulation of fracture behaviors of < 110 > tilt grain boundaries in gamma-TiAl
	W. J.; Xu Zhao, D. S.; Zhao, J. W.; Wang, H.
	2014
发表期刊	Transactions of Nonferrous Metals Society of China
ISSN	1003-6326
卷号	24 期号:11 页码:3645-3651
摘要	Molecular dynamics (MD) simulations were carried out to study the fracture behaviors of several symmetric tilt grain boundaries in gamma-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 Sigma 3 (111) 109.5 degrees, Sigma 9 (221) 141.1 degrees and Sigma 27 (552) 148.4 degrees interfaces. For Sigma 27 (115) 31.6 degrees and Sigma 11 (113) 50.5 degrees 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.
部门归属	[zhao, wen-juan] xiangtan univ, key lab mat design & preparat technol hunan prov, xiangtan 411105, peoples r china. [zhao, wen-juan] xiangtan univ, sch mech engn, xiangtan 411105, peoples r china. [xu, dong-sheng ; wang, hao] chinese acad sci, inst met res, shenyang 110016, peoples r china. [zhao, jing-wei] univ wollongong, sch mech mat & mechatron engn, wollongong, nsw 2522, australia. ; zhao, wj (reprint author), xiangtan univ, key lab mat design & preparat technol hunan prov, xiangtan 411105, peoples r china. ; wjzhao1024@xtu.edu.cn
关键词	Gamma Tial Alloy Tilt Grain Boundary Molecular Dynamics Tensile Deformation Fracture Titanium Aluminides Deformation Interfaces Alloys Dislocations Brittleness Crystals Metals Copper Al
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/74036
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. J.,Xu Zhao, D. S.,Zhao, J. W.,et al. Molecular dynamics simulation of fracture behaviors of < 110 > tilt grain boundaries in gamma-TiAl[J]. Transactions of Nonferrous Metals Society of China,2014,24(11):3645-3651.
APA	W. J.,Xu Zhao, D. S.,Zhao, J. W.,&Wang, H..(2014).Molecular dynamics simulation of fracture behaviors of < 110 > tilt grain boundaries in gamma-TiAl.Transactions of Nonferrous Metals Society of China,24(11),3645-3651.
MLA	W. J.,et al."Molecular dynamics simulation of fracture behaviors of < 110 > tilt grain boundaries in gamma-TiAl".Transactions of Nonferrous Metals Society of China 24.11(2014):3645-3651.