Influence of Re on the propagation of a Ni/Ni-3 Al interface crack by molecular dynamics simulation

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	Influence of Re on the propagation of a Ni/Ni-3 Al interface crack by molecular dynamics simulation
	Z. G. Liu; C. Y. Wang; T. Yu
	2013
发表期刊	Modelling and Simulation in Materials Science and Engineering
ISSN	0965-0393
卷号	21 期号:4
摘要	The influence of Re on the propagation of a (0 10)[1 0 1] crack in the Ni/Ni3Al interface, including crack propagation velocity, crack-tip shape, and dislocation emission, is investigated using a molecular dynamics method with a Ni-Al-Re embedded-atom-method potential. The propagation velocity of the crack noticeably decreases at 5 K when 3 or 6 at% Re atoms are added into the Ni matrix. At 1033 K, the crack tip becomes blunter and emission of dislocations becomes easier with Re addition, owing to the larger bond strength between Re and Ni atoms. Furthermore, we calculate the unstable stacking energy (gamma(us)), surface energy (gamma(s)), and adhesion work (W-ad) of the interface. When Re atoms are randomly doped into a Ni matrix, gamma(s)/gamma(us) increases correspondingly. This means that Re addition decreases brittleness and improves ductility. The calculation also shows that gamma(us) is not affected by Re-Ni atomic interaction, and that Re-Re atomic interaction has some effect on gamma(us). In addition, Wad increases with Re addition, and a small increase in W-ad results in a larger decrease in crack velocity. This indicates that Re-Ni atomic interaction restrains crack propagation velocity at low temperature.
部门归属	[liu, zheng-guang ; wang, chong-yu ; yu, tao] cent iron & steel res inst, beijing 100081, peoples r china. [wang, chong-yu] tsinghua univ, dept phys, beijing 100084, peoples r china. [wang, chong-yu] acad sinica, int ctr mat phys, shenyang 110016, peoples r china. [liu, zheng-guang] north univ china, dept phys, taiyuan 030051, peoples r china. ; liu, zg (reprint author), cent iron & steel res inst, beijing 100081, peoples r china. ; cywang@mail.tsinghua.edu.cn
关键词	Single-crystal Superalloys Atomistic Simulation Base Superalloys Ni Fracture Tip Ruthenium Behavior Alloys Ni3al
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/71386
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	Z. G. Liu,C. Y. Wang,T. Yu. Influence of Re on the propagation of a Ni/Ni-3 Al interface crack by molecular dynamics simulation[J]. Modelling and Simulation in Materials Science and Engineering,2013,21(4).
APA	Z. G. Liu,C. Y. Wang,&T. Yu.(2013).Influence of Re on the propagation of a Ni/Ni-3 Al interface crack by molecular dynamics simulation.Modelling and Simulation in Materials Science and Engineering,21(4).
MLA	Z. G. Liu,et al."Influence of Re on the propagation of a Ni/Ni-3 Al interface crack by molecular dynamics simulation".Modelling and Simulation in Materials Science and Engineering 21.4(2013).