The correlation between Re and P and their synergetic effect on the rupture strength of the gamma-Ni/gamma '-Ni3Al interface

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	The correlation between Re and P and their synergetic effect on the rupture strength of the gamma-Ni/gamma '-Ni3Al interface
	L. Peng; P. Peng; Y. G. Liu; S. He; H. Wei; T. Jin; Z. Q. Hu
	2012
发表期刊	Computational Materials Science
ISSN	0927-0256
卷号	63 页码:292-302
摘要	A first-principles investigation on the synergetic effect of Re and P on Griffith rupture works of the gamma-Ni/gamma'-Ni3Al interface is performed. The calculated results indicate site preference of P at the gamma/gamma' interface is not changed by Re-addition but P-induced embitterment can be inhibited even reversed by the addition of Re at the adjacent atomic layer of P. The correlative effect between P and Re at the gamma/gamma' interface is also evaluated by a correlative energy function. It is found a strong repulsive interaction between P-doping and Re-addition is limited within a unit cell of gamma or gamma' phase and is not profitable for the strengthening of the gamma/gamma' interface. The electronic and geometric structures reveal a large interfacial separation and the depletion of electron densities in the interfacial region should be responsible for the potential inter-phase cleavage fracture site, and the deleterious effect of P can be attributed to a mutual influence of local elastic stain energy and atomic bonding energy in the doped system. (C) 2012 Elsevier B. V. All rights reserved.
部门归属	[peng, l.; peng, p.; he, s.] hunan univ, sch mat sci & engn, changsha 410082, hunan, peoples r china. [peng, l.; liu, y. g.] hunan univ, coll environm sci & engn, changsha 410082, hunan, peoples r china. [wei, h.; jin, t.; hu, z. q.] chinese acad sci, inst met res, superalloys div, shenyang 110016, peoples r china.;peng, p (reprint author), hunan univ, sch mat sci & engn, changsha 410082, hunan, peoples r china.;ppeng@hnu.edu.cn
关键词	Gamma-ni/gamma '-ni3al Interface Griffith Rupture Work Correlative And Synergetic Effect Between Alloying And Doping Elements First-principles Calculation Single-crystal Superalloys Ni-based Superalloys Gamma/gamma'-interface Ni/ni3al Interface Mechanical-properties Base Superalloys 1st-principles Ru Phase Boron
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文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/60189
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	L. Peng,P. Peng,Y. G. Liu,et al. The correlation between Re and P and their synergetic effect on the rupture strength of the gamma-Ni/gamma '-Ni3Al interface[J]. Computational Materials Science,2012,63:292-302.
APA	L. Peng.,P. Peng.,Y. G. Liu.,S. He.,H. Wei.,...&Z. Q. Hu.(2012).The correlation between Re and P and their synergetic effect on the rupture strength of the gamma-Ni/gamma '-Ni3Al interface.Computational Materials Science,63,292-302.
MLA	L. Peng,et al."The correlation between Re and P and their synergetic effect on the rupture strength of the gamma-Ni/gamma '-Ni3Al interface".Computational Materials Science 63(2012):292-302.