Effect of Pt on adherence of γ'-Ni3Al/Al2O3 interface of thermal barrier coatings investigated by first-principle molecular dynamics

被引：5

作者：

Nie, Y. M. ^{[1
]}

Wu, R. T. ^{[2
]}

Reed, R. C. ^{[3
]}

Chen, Y. A. ^{[1
]}

Lee, K. I. ^{[1
]}

机构：

[1] Natl Chi Nan Univ, Dept Appl Mat & Optoelect Engn, Puli Township 54561, Nantou County, Taiwan

[2] Natl Inst Mat Sci, Tsukuba, Ibaraki, Japan

[3] Univ Birmingham, Dept Met & Mat, Birmingham B15 2TT, W Midlands, England

来源：

MATERIALS RESEARCH INNOVATIONS | 2014年 / 18卷

关键词：

Aero-engine component; TBC; Nickel-based superalloy; TGO; Adhesion strength; First-principles; Molecular dynamics; TOTAL-ENERGY CALCULATIONS; BETA-NIAL IMPLICATIONS; OXIDATION BEHAVIOR; BOND COAT; DIFFUSION KINETICS; PLATINUM; SYSTEMS; MICROSTRUCTURE; INTERDIFFUSION; GROWTH;

D O I：

10.1179/1432891714Z.000000000535

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

While the effect of Pt on the adhesive strength of the gamma'-Ni3Al/Al2O3 (coating/oxide) interface of thermal barrier coatings (TBCs) has gradually been verified, the exact underlying mechanism is not yet fully understood. The present study investigates the chemical bonding mechanism of the interface by means of first-principle molecular dynamics, modelling the room temperature interfacial microstructure after a temperature induced phase transition and utilising the deformation energy to evaluate the adhesive strength of the coating/oxide interface. A theoretical benchmark is provided, which is that the adhesive strength of 12 wt-% Pt addition triples that of Pt-free. According to the analysis of chemical bonds, the Pt induced reinforcement of the Al oxidation plays an important role in enhancing the interface's adhesive strength. A theoretical interpretation of the unit cell phase transition mechanism on the TBCs' failure is also illustrated.

引用

页码：1001 / 1007

页数：7

共 34 条

[1] Life approximation of thermal barrier coatings via quantitative microstructural analysis [J].

Bargraser, C. ;

Mohan, P. ;

Lee, K. ;

Yang, B. ;

Suk, J. ;

Choe, S. ;

Sohn, Y. H. .

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2012, 549 :76-81

[2] ENERGY FLUCTUATIONS INDUCED BY THE NOSE THERMOSTAT [J].

BYLANDER, DM ;

KLEINMAN, L .

PHYSICAL REVIEW B, 1992, 46 (21) :13756-13761

[3] Effect of Pt additions on the sulfur segregation, vold formation and oxide scale growth of cast nickel aluminides [J].

Cadoret, Y ;

Bacos, MP ;

Josso, P ;

Maurice, V ;

Marcus, P ;

Zanna, S .

HIGH TEMPERATURE CORROSION AND PROTECTION OF MATERIALS 6, PRT 1 AND 2, PROCEEDINGS, 2004, 461-464 :247-254

[4] Effects of segregating elements on the adhesive strength and structure of the α-Al2O3/β-NiAl interface [J].

Carling, Karin M. ;

Carter, Emily A. .

ACTA MATERIALIA, 2007, 55 (08) :2791-2803

[5] Microstructure formation in plasma-sprayed functionally graded NiCoCrAlY/yttria-stabilized zirconia coatings [J].

Dong, ZL ;

Khor, KA ;

Gu, YW .

SURFACE & COATINGS TECHNOLOGY, 1999, 114 (2-3) :181-186

[6] Influence of particle in-flight characteristics on the microstructure of atmospheric plasma sprayed yttria stabilized ZrO2 [J].

Friis, M ;

Persson, C ;

Wigren, J .

SURFACE & COATINGS TECHNOLOGY, 2001, 141 (2-3) :115-127

[7] Effects of platinum on the interdiffusion and oxidation behavior of Ni-Al-based alloys [J].

Gleeson, B ;

Wang, W ;

Hayashi, S ;

Sordelet, D .

HIGH TEMPERATURE CORROSION AND PROTECTION OF MATERIALS 6, PRT 1 AND 2, PROCEEDINGS, 2004, 461-464 :213-222

[8] Compositional factors affecting the establishment and maintenance of Al2O3 scales on Ni-Al-Pt systems [J].

Gleeson, B. ;

Mu, N. ;

Hayashi, S. .

JOURNAL OF MATERIALS SCIENCE, 2009, 44 (07) :1704-1710

[9] Theoretical structure determination of γ-Al2O3 -: art. no. 012101 [J].

Gutiérrez, G ;

Taga, A ;

Johansson, B .

PHYSICAL REVIEW B, 2002, 65 (01) :1-4

[10] Interdiffusion behavior of Pt-modified γ-Ni+γ′-Ni3Al alloys coupled to Ni-Al-based alloys [J].

Hayashi, S ;

Wang, W ;

Sordelet, DJ ;

Gleeson, B .

METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, 2005, 36A (07) :1769-1775

← 1 2 3 4 →