Solute diffusion in the gamma ' phase of Ni based alloys

doi:10.1016/j.commatsci.2009.07.012

	Solute diffusion in the gamma ' phase of Ni based alloys
	Gong, Xiu-Fang 1,2; Yang, Gong Xian 2; Fu, You Heng 2; Ming, Chen 1; Xie, Yi Qun 3; Zhuang, Jun 3; Ning, Xi-Jing 1
刊名	COMPUTATIONAL MATERIALS SCIENCE
	2009-11-01
卷号	47 页码:232-236
关键词	First-principles Ni(3)Al Diffusion
ISSN号	0927-0256
DOI	10.1016/j.commatsci.2009.07.012
英文摘要	We systematically investigate the diffusion mechanisms of 3d (Ti-Cu), 4d (Zr-Ag) and 5d (Hf-Au) transition metal solutes in gamma'-Ni(3)Al phase using first-principles calculations. The results reveal that the diffusion of Ni-substituting solute is mainly controlled by the sublattice diffusion mechanism via Ni vacancies and the diffusion of Al-substituting solute is mostly governed by the formation of the anti-structure defects on the Ni sublattice with negligible contribution of the anti-structure bridge mechanism. The elements which occupy both the Al and Ni sites show a diffusion behavior similar to that of the Ni-substituting solutes. Our calculations show that larger atoms can move much faster than smaller atoms, which disprove the traditional view that larger atoms move slower than smaller atoms. Crown Copyright (C) 2009 Published by Elsevier B.V. All rights reserved.
资助项目	National Nature Science Foundation of China[10574030] ; Dongfang Steam Turbine Works
WOS关键词	INTERMETALLIC COMPOUND NI3AL ; SELF-DIFFUSION ; INTERDIFFUSION ; RE ; VACANCIES ; ELEMENTS ; METALS ; NICKEL
WOS研究方向	Materials Science
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000272152000030
资助机构	National Nature Science Foundation of China ; Dongfang Steam Turbine Works
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/30452]
专题	中国科学院近代物理研究所
通讯作者	Ning, Xi-Jing
作者单位	1.Fudan Univ, Inst Modern Phys, Shanghai 200433, Peoples R China 2.Dongfang Steam Turbine Works, Deyang 618000, Peoples R China 3.Fudan Univ, Dept Opt Sci & Engn, Shanghai 200433, Peoples R China
推荐引用方式 GB/T 7714	Gong, Xiu-Fang,Yang, Gong Xian,Fu, You Heng,et al. Solute diffusion in the gamma ' phase of Ni based alloys[J]. COMPUTATIONAL MATERIALS SCIENCE,2009,47:232-236.
APA	Gong, Xiu-Fang.,Yang, Gong Xian.,Fu, You Heng.,Ming, Chen.,Xie, Yi Qun.,...&Ning, Xi-Jing.(2009).Solute diffusion in the gamma ' phase of Ni based alloys.COMPUTATIONAL MATERIALS SCIENCE,47,232-236.
MLA	Gong, Xiu-Fang,et al."Solute diffusion in the gamma ' phase of Ni based alloys".COMPUTATIONAL MATERIALS SCIENCE 47(2009):232-236.