Tailoring critical Al concentration to form external Al 2 O 3 scale on Ni–Al alloys by computational approach

Ross, Austin; Shang, Shun‐Li; Fang, Huazhi; Lindwall, Greta; Liu, Xuan L.; Zhao, Wei; Gleeson, Brian; Gao, Michael C.; Liu, Zi‐Kui

doi:10.1111/jace.18707

Tailoring critical Al concentration to form external Al ₂ O ₃ scale on Ni–Al alloys by computational approach

Journal Article · Thu Sep 01 00:00:00 EDT 2022 · Journal of the American Ceramic Society

DOI:https://doi.org/10.1111/jace.18707· OSTI ID:1885065

Ross, Austin ^[1]; Shang, Shun‐Li ^[2]; Fang, Huazhi ^[1]; Lindwall, Greta ^[3]; Liu, Xuan L. ^[1]; Zhao, Wei ^[4]; Gleeson, Brian ^[4]; Gao, Michael C. ^[5]; Liu, Zi‐Kui ^[1]

Department of Materials Science and Engineering The Pennsylvania State University University Park Pennsylvania USA
Department of Materials Science and Engineering The Pennsylvania State University University Park Pennsylvania USA, Materials Engineering and Manufacturing Directorate National Energy Technology Laboratory Albany Oregon USA
Department of Materials Science and Engineering The Pennsylvania State University University Park Pennsylvania USA, Department of Materials Science and Engineering KTH Royal Institute of Technology Stockholm Sweden
Department of Mechanical Engineering and Materials Science University of Pittsburgh Pittsburgh Pennsylvania USA
Materials Engineering and Manufacturing Directorate National Energy Technology Laboratory Albany Oregon USA

Abstract

Nickel (Ni)‐based superalloys for high‐temperature applications are often designed to form a continuous and slow‐growing oxide scale by adding Al and Cr and other beneficial elements. In the present work, the critical Al concentration in Ni–Al alloys needed to establish an α‐Al ₂ O ₃ scale in contrast to internal oxide formation is predicted as a function of temperature by means of the CALPHAD approach coupled with models in the literature, which account for the thermodynamics and kinetics of oxidation. The present thermodynamic remodeling of the Ni–O system results in a better agreement with experimental data of oxygen solubility in Ni at high temperatures. The oxygen solubility is combined with kinetic parameters to determine oxygen permeability in Ni, and the critical Al concentration needed to establish an α‐Al ₂ O ₃ scale at a given exposure temperature. Good agreement is found with available experimental data for both oxygen permeability and critical Al concentration, indicating the capacity of the CALPHAD approach to tailor oxidation resistance for materials of interest using thermodynamic and kinetic knowledge.

View Accepted Manuscript (Publisher)

Sponsoring Organization:: USDOE

Grant/Contract Number:: FE0024056; FE0031553

OSTI ID:: 1885065

Journal Information:: Journal of the American Ceramic Society, Journal Name: Journal of the American Ceramic Society Journal Issue: 12 Vol. 105; ISSN 0002-7820

Publisher:: Wiley-BlackwellCopyright Statement

Country of Publication:: United States

Language:: English

References (18)

High-temperature oxidation of alloys Wood, Graham C. Oxidation of Metals, Vol. 2, Issue 1 https://doi.org/10.1007/BF00603581	journal	January 1970
The transition from the formation of mixed scales to the selective oxidation of the most-reactive component in the corrosion of single and two-phase binary alloys Gesmundo, F.; Viani, F.; Niu, Y. Oxidation of Metals, Vol. 40, Issue 3-4 https://doi.org/10.1007/BF00664498	journal	October 1993
The diffusion and solubility of oxygen in solid nickel Park, Jong-Wan; Altstetter, Carl J. Metallurgical Transactions A, Vol. 18, Issue 1 https://doi.org/10.1007/BF02646220	journal	January 1987
The oxidation of three Ni–6Si–xAl alloys in 1atm O2 at 1000°C Niu, Y.; Wu, Y.; Gesmundo, F. Corrosion Science, Vol. 48, Issue 1 https://doi.org/10.1016/j.corsci.2005.05.032	journal	January 2006
Thermodynamic analysis of the ternary La–Ni–O system Zinkevich, M.; Aldinger, F. Journal of Alloys and Compounds, Vol. 375, Issue 1-2 https://doi.org/10.1016/j.jallcom.2003.11.138	journal	July 2004
Oxidation resistance: One barrier to moving beyond Ni-base superalloys Pint, B. A.; DiStefano, J. R.; Wright, I. G. Materials Science and Engineering: A, Vol. 415, Issue 1-2 https://doi.org/10.1016/j.msea.2005.09.091	journal	January 2006
Understanding slow-growing alumina scale mediated by reactive elements: Perspective via local metal-oxygen bonding strength Shang, Shun-Li; Wang, Yi; Gleeson, Brian Scripta Materialia, Vol. 150 https://doi.org/10.1016/j.scriptamat.2018.03.002	journal	June 2018
The Superalloys Reed, Roger C. Cambridge University Press https://doi.org/10.1017/CBO9780511541285	book	January 2006
Enhanced diffusion of oxygen during internal oxidation of nickel-base alloys Whittle, D. P.; Shida, Y.; Wood, G. C. Philosophical Magazine A, Vol. 46, Issue 6 https://doi.org/10.1080/01418618208236942	journal	December 1982
Predicting Minimum Al Concentrations for Protective Scale Formation on Ni‐Base Alloys: I . Isothermal Oxidation Nesbitt, James A. Journal of The Electrochemical Society, Vol. 136, Issue 5 https://doi.org/10.1149/1.2096953	journal	May 1989
Thermodynamics of Nickel‐Aluminum‐Oxygen System Between 900 and 1400 K Elrefaie, F. A.; Smeltzer, W. W. Journal of The Electrochemical Society, Vol. 128, Issue 10 https://doi.org/10.1149/1.2127225	journal	October 1981
Growth and Microstructure of α ‐ Al2 O 3 on Ni‐Al Alloys: Internal Precipitation and Transition to External Scale Hindam, H. M.; Smeltzer, W. W. Journal of The Electrochemical Society, Vol. 127, Issue 7 https://doi.org/10.1149/1.2129964	journal	July 1980
The Effect of Oxide Volatilization on the Oxidation Kinetics of Cr and Fe-Cr Alloys Tedmon, C. S. Journal of The Electrochemical Society, Vol. 113, Issue 8 https://doi.org/10.1149/1.2424115	journal	January 1966
Internal oxidation Stott, F. H.; Wood, G. C. Materials Science and Technology, Vol. 4, Issue 12 https://doi.org/10.1179/mst.1988.4.12.1072	journal	December 1988
Comparison of Experimental and Simulated Multicomponent Ni-Base Superalloy Diffusion Couples Campbell, C. E.; Zhao, J-C.; Henry, M. F. Journal of Phase Equilibria & Diffusion, Vol. 25, Issue 1 https://doi.org/10.1361/10549710417966	journal	February 2004
Advances in Coating Design for High-Performance Gas Turbines Nicholls, J. R. MRS Bulletin, Vol. 28, Issue 9 https://doi.org/10.1557/mrs2003.194	journal	September 2003
Internal Oxidation of Dilute Ni-Al Solid Solution Alloys Goto, Shoji; Koda, Shigeyasu Journal of the Japan Institute of Metals, Vol. 32, Issue 4 https://doi.org/10.2320/jinstmet1952.32.4_334	journal	January 1968
Predicting Internal Oxidation: Building on the Wagner Model Young, David J. Materials Science Forum, Vol. 696 https://doi.org/10.4028/www.scientific.net/MSF.696.1	journal	September 2011

Similar Records

Novel concept of functional oxide coatings providing enhanced oxidation resistance to Ni-based superalloys

Journal Article · Tue Dec 31 23:00:00 EST 2013 · Materials Research Bulletin · OSTI ID:22341879

Electrical conductivity of Al/sub 2/O/sub 3/:Fe + Y

Journal Article · Sun Nov 30 23:00:00 EST 1986 · J. Am. Ceram. Soc.; (United States) · OSTI ID:5740633

Effect of yttrium coating on the oxidation behavior of Ni{sub 3}Al

Journal Article · Thu Aug 01 00:00:00 EDT 1996 · Oxidation of Metals · OSTI ID:283037

Tailoring critical Al concentration to form external Al 2 O 3 scale on Ni–Al alloys by computational approach

Citation Formats

References (18)

Similar Records

Related Subjects

Tailoring critical Al concentration to form external Al ₂ O ₃ scale on Ni–Al alloys by computational approach