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

被引：14

作者：

Jiang, Fushi ^{[1
,2
,3
]}

Yu, Hui ^{[4
]}

Hu, Qingmiao ^{[3
]}

Wei, Hua ^{[3
]}

Sun, Xiaofeng ^{[3
]}

Dong, Chuang ^{[1
]}

机构：

[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

来源：

SOLID STATE COMMUNICATIONS | 2020年 / 310卷

关键词：

Ni-based single crystal superalloys; Site occupancy; Lattice misfit; Elasticities; PARAMETER; NICKEL;

D O I：

10.1016/j.ssc.2020.113852

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

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.

引用

页数：8

共 17 条

[1] LOW-TEMPERATURE LATTICE-PARAMETER OF NICKEL AND SOME NICKEL-COBALT ALLOYS AND GRUNEISEN PARAMETER OF NICKEL [J].

BANDYOPADHYAY, J ;

GUPTA, KP .

CRYOGENICS, 1977, 17 (06) :345-347

[2]

Dreizler R M, 1998, DENSITY FUNCTIONAL T

[3]

Li JR, 1999, J MATER SCI TECHNOL, V15, P53

[4] HIGH-TEMPERATURE CORROSION OF ALUMINA-FORMING COATINGS FOR SUPERALLOYS [J].

MEIER, GH ;

PETTIT, FS .

SURFACE & COATINGS TECHNOLOGY, 1989, 39 (1-3) :1-17

[5]

Perdew JP, 1996, PHYS REV LETT, V77, P3865, DOI 10.1103/PhysRevLett.77.3865

[6] Nickel-based superalloys for advanced turbine engines: Chemistry, microstructure, and properties [J].

Pollock, TM ;

Tin, S .

JOURNAL OF PROPULSION AND POWER, 2006, 22 (02) :361-374

[7] RELATIONS BETWEEN THE ELASTIC MODULI AND THE PLASTIC PROPERTIES OF POLYCRYSTALLINE PURE METALS [J].

PUGH, SF .

PHILOSOPHICAL MAGAZINE, 1954, 45 (367) :823-843

[8] EFFECT OF TERNARY ADDITIONS ON THE ROOM-TEMPERATURE LATTICE-PARAMETER OF NI3AL [J].

RAO, PVM ;

MURTHY, KS ;

SURYANARAYANA, SV ;

NAIDU, SVN .

PHYSICA STATUS SOLIDI A-APPLIED RESEARCH, 1992, 133 (02) :231-235

[9] Alloys-By-Design: Application to nickel-based single crystal superalloys [J].

Reed, R. C. ;

Tao, T. ;

Warnken, N. .

ACTA MATERIALIA, 2009, 57 (19) :5898-5913

[10]

Reed RC., 2008, The superalloys: Fundamentals and Applications, DOI DOI 10.1016/j.msea.2004.01.108

← 1 2 →