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

doi:10.7449/2004/superalloys_2004_969_975

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 conference › Paper › peer-review

6 Scopus citations

Abstract

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 language	English (US)
Pages	969-975
Number of pages	7
DOIs	https://doi.org/10.7449/2004/superalloys_2004_969_975
State	Published - 2004
Event	SUPERALLOYS 2004 - Tenth International Symposium on Superalloys - Champion, PA, United States Duration: Sep 19 2004 → Sep 23 2004

Other

Other	SUPERALLOYS 2004 - Tenth International Symposium on Superalloys
Country/Territory	United States
City	Champion, PA
Period	9/19/04 → 9/23/04

All Science Journal Classification (ASJC) codes

Materials Science(all)

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10.7449/2004/superalloys_2004_969_975

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title = "Computational tools for designing ni-base superalloys",

abstract = "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.",

author = "Zhou, {S. H.} and Y. Wang and Zhu, {J. Z.} and T. Wang and Chen, {L. Q.} and MacKay, {R. A.} and Liu, {Zi Kui}",

year = "2004",

doi = "10.7449/2004/superalloys_2004_969_975",

language = "English (US)",

pages = "969--975",

note = "SUPERALLOYS 2004 - Tenth International Symposium on Superalloys ; Conference date: 19-09-2004 Through 23-09-2004",

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TY - CONF

T1 - Computational tools for designing ni-base superalloys

AU - Zhou, S. H.

AU - Wang, Y.

AU - Zhu, J. Z.

AU - Wang, T.

AU - Chen, L. Q.

AU - MacKay, R. A.

AU - Liu, Zi Kui

PY - 2004

Y1 - 2004

N2 - 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.

AB - 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.

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DO - 10.7449/2004/superalloys_2004_969_975

M3 - Paper

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SP - 969

EP - 975

T2 - SUPERALLOYS 2004 - Tenth International Symposium on Superalloys

Y2 - 19 September 2004 through 23 September 2004

ER -

Computational tools for designing ni-base superalloys

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