Computational and Experimental Design of Novel High Temperature Alloys

Travis Brammer; Pratik K. Ray; Sumohan Misra; Yi Ying Ye; Mufit Akinc; Matthew J. Kramer

doi:10.4028/www.scientific.net/AST.72.31

Paper Titles

Committees

Materials Performance in Advanced Steam Cycle and in Oxy-Fuel Combustion Systems
p.1

Long-Term Stabilization of Creep-Resistant Ferritic Steels for Highly Efficient Ultra-Supercritical Power Plants
p.12

Alloy Design and Processing Challenges for Advanced Power Systems: An Alloy Producer’s Perspective
p.22

Computational and Experimental Design of Novel High Temperature Alloys
p.31

Comparison of High Temperature Mechanical Behaviour and Microstructure of the New Gamma–TiAl8Ta with Gamma-TiAl8Nb Alloy
p.40

Elaboration and Characterization of the Properties of Refractory Cr Base Alloys
p.46

Refractoriness, Microstructures and High Temperature Oxidation of TaC-Reinforced Iron-Based Alloys Protected by Chromium-Rich Coatings
p.53

Hydrogen Uptake and Hydrogen Profiles in Chromia Scales Formed on Ni25Cr(Mn) in Low pO₂ Test Gases at 1000°C
p.59

HomeAdvances in Science and TechnologyAdvances in Science and Technology Vol. 72Computational and Experimental Design of Novel...

Computational and Experimental Design of Novel High Temperature Alloys

Abstract:

Discovery of new high temperature alloys is a multidimensional problem which encompasses the intrinsic thermodynamic stability and their thermo-chemical and thermo-mechanical response to the combustion environment. Even when considering only the transition metals in combination with stable oxide formers, the number of ternary combinations exceeds 104. Hence, the traditional Edisonian process is not a practical approach to develop new alloy systems. Using formation enthalpy as a guide to compound stability, we propose a hierarchical scheme for identifying potential alloy systems which involves sifting through large regions of phase space with increasingly more accurate analysis. The coarsest sieve is a semi-empirical method based on the Miedema model extended to ternary systems. The next stage is ab initio simulations for a more accurate assessment and the basis for selecting system to investigate experimentally. We describe the implementation of this approach through the discovering of ternary additions that improve the oxidation stability -NiAl alloy.

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Advances in Science and Technology (Volume 72)

Pages:

31-39

DOI:

https://doi.org/10.4028/www.scientific.net/AST.72.31

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Online since:

October 2010

Authors:

Travis Brammer, Pratik K. Ray, Sumohan Misra, Yi Ying Ye, Mufit Akinc, Matthew J. Kramer

Keywords:

High Temperature Alloy, Miedema Model, Nickel Aluminide, Oxidation

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