Effect of alloying elements on lattice misfit and elasticities of Ni-based single crystal superalloys by first-principle calculations

doi:10.1016/j.ssc.2020.113852

IMR OpenIR

	Effect of alloying elements on lattice misfit and elasticities of Ni-based single crystal superalloys by first-principle calculations
	Jiang, Fushi 1,2,3; Yu, Hui 4; Hu, Qingmiao 3; Wei, Hua 3; Sun, Xiaofeng 3; Dong, Chuang 1
通讯作者	Dong, Chuang(dong@dlut.edu.cn)
	2020-04-01
发表期刊	SOLID STATE COMMUNICATIONS
ISSN	0038-1098
卷号	310 页码:8
摘要	The site occupancy, lattice misfit and elastic modulus of Ni-based single crystal superalloys are investigated by combining the first principles exact muffin-tin orbital method and coherent-potential approximation. The site preference of alloying elements in gamma'-Ni3Al can be classified into four types: Co, Fe, Ru and Ir occupy Ni site or Cr, Mo, Re, Ti, V occupy Al anti-site (namely alloying elements occupy Al site while the removed Al occupy Ni site). Ti and V are the alloying elements which stabilize the gamma'-Ni3Al. The lattice misfit and the difference of elastic properties between gamma and gamma' phases are the causes of gamma' rafting, while the alloying elements will improve the differences. The effects of 1 at. % similar to 5 at. % alloying elements on lattice constant and misfit are studied, because of biggish atomic radius, Ir, Mo, Ti, Re and Ru increase the lattice constant of gamma/gamma' phase much faster, and the alloying elements have some impacts on the lattice misfit of gamma/gamma' phase. Re is the most remarkable alloying element which improves the elastic modulus of Ni-based superalloys.
关键词	Ni-based single crystal superalloys Site occupancy Lattice misfit Elasticities
资助者	National Key Research and Development Program of China ; Natural Science Foundation of China
DOI	10.1016/j.ssc.2020.113852
收录类别	SCI
语种	英语
资助项目	National Key Research and Development Program of China[2016YFB0101206] ; Natural Science Foundation of China[11674045]
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
WOS记录号	WOS:000525944900006
出版者	PERGAMON-ELSEVIER SCIENCE LTD
引用统计	被引频次：11[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/138215
专题	中国科学院金属研究所
通讯作者	Dong, Chuang
作者单位	1.Dalian Univ Technol, Key Lab Mat Modificat Laser Ion & Electron Beams, Minist Educ, Dalian 116024, Peoples R China 2.Inner Mongolia Univ Nationalities, Coll Phys & Elect Informat, Tongliao 028043, Peoples R China 3.Chinese Acad Sci, Inst Met Res, Shenyang 110016, Peoples R China 4.Northeastern Univ, Sch Mat Sci & Engn, Shenyang 110819, Peoples R China
推荐引用方式 GB/T 7714	Jiang, Fushi,Yu, Hui,Hu, Qingmiao,et al. Effect of alloying elements on lattice misfit and elasticities of Ni-based single crystal superalloys by first-principle calculations[J]. SOLID STATE COMMUNICATIONS,2020,310:8.
APA	Jiang, Fushi,Yu, Hui,Hu, Qingmiao,Wei, Hua,Sun, Xiaofeng,&Dong, Chuang.(2020).Effect of alloying elements on lattice misfit and elasticities of Ni-based single crystal superalloys by first-principle calculations.SOLID STATE COMMUNICATIONS,310,8.
MLA	Jiang, Fushi,et al."Effect of alloying elements on lattice misfit and elasticities of Ni-based single crystal superalloys by first-principle calculations".SOLID STATE COMMUNICATIONS 310(2020):8.