Computational tools for designing ni-base superalloys

S. H. Zhou, Y. Wang, J. Z. Zhu, T. Wang, L. Q. Chen, R. A. MacKay, Zi Kui Liu

Research output: Contribution to conferencePaperpeer-review

7 Scopus citations


The main objective of this work is to develop a set of integrated computational tools that can be employed to design Ni-base superalloys. In particular, we developed reliable thermodynamic, kinetic and lattice parameter databases for the Ni-Al-Mo superalloys by combining first-principles calculations and CALPHAD (CALculation of PHAse Diagrams) technique. Microstructural evolution of γ' precipitate particles was predicted using a quantitative phase-field model that is linked to the thermodynamic, kinetic and lattice parameter databases. Computational results of γ' coarsening were compared with literature data on particle sizes measured during aging experiments in binary NiAl alloys. The integrated multiscale computational tools have the potential to considerably reduce the time and cost for new superalloy development.

Original languageEnglish (US)
Number of pages7
StatePublished - 2004
EventSUPERALLOYS 2004 - Tenth International Symposium on Superalloys - Champion, PA, United States
Duration: Sep 19 2004Sep 23 2004


OtherSUPERALLOYS 2004 - Tenth International Symposium on Superalloys
Country/TerritoryUnited States
CityChampion, PA

All Science Journal Classification (ASJC) codes

  • General Materials Science


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