Electrons meet alloy development: A γ-TiAl-based alloy showcase
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in: Advanced engineering materials, Jahrgang 24.2022, 2100977, 18.09.2021.
Publikationen: Beitrag in Fachzeitschrift › Artikel › Forschung › (peer-reviewed)
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TY - JOUR
T1 - Electrons meet alloy development
T2 - A γ-TiAl-based alloy showcase
AU - Holec, David
AU - Abdoshahi, Neda
AU - Gehringer, Dominik
AU - Hatzenbichler, Lukas
AU - Sakic, Amin
AU - Clemens, Helmut
N1 - Publisher Copyright: © 2021 The Authors. Advanced Engineering Materials published by Wiley-VCH GmbH
PY - 2021/9/18
Y1 - 2021/9/18
N2 - Density functional theory is a workhorse of present electronic structure calculations. These are increasingly more applied in materials science as they allow for insight beyond experimental capabilities, testing hypotheses, or isolating various phenomena. Herein, an overview of the applications of the electronic structure calculations applied to extracting alloying trends, which, in turn, leads to refining of alloys, is presented. The topic covers the construction of structural models by properly considering site preference. Next are discussed alloying trends in structural and mechanical properties. The final part deals with microstructure features such as extended defects or multiphase constitutions. The unifying themes of the presented application are compositional trends in properties of lightweight intermetallic γ-TiAl-based alloys.
AB - Density functional theory is a workhorse of present electronic structure calculations. These are increasingly more applied in materials science as they allow for insight beyond experimental capabilities, testing hypotheses, or isolating various phenomena. Herein, an overview of the applications of the electronic structure calculations applied to extracting alloying trends, which, in turn, leads to refining of alloys, is presented. The topic covers the construction of structural models by properly considering site preference. Next are discussed alloying trends in structural and mechanical properties. The final part deals with microstructure features such as extended defects or multiphase constitutions. The unifying themes of the presented application are compositional trends in properties of lightweight intermetallic γ-TiAl-based alloys.
UR - http://www.scopus.com/inward/record.url?scp=85116254049&partnerID=8YFLogxK
U2 - 10.1002/adem.202100977
DO - 10.1002/adem.202100977
M3 - Article
VL - 24.2022
JO - Advanced engineering materials
JF - Advanced engineering materials
SN - 1527-2648
M1 - 2100977
ER -
