Electrons meet alloy development: A γ-TiAl-based alloy showcase

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Electrons meet alloy development: A γ-TiAl-based alloy showcase. / Holec, David; Abdoshahi, Neda; Gehringer, Dominik et al.
In: Advanced engineering materials, Vol. 24.2022, 2100977, 18.09.2021.

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@article{dc2bf54226934ba3a428d4005a5c8c05,
title = "Electrons meet alloy development: A γ-TiAl-based alloy showcase",
abstract = "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.",
author = "David Holec and Neda Abdoshahi and Dominik Gehringer and Lukas Hatzenbichler and Amin Sakic and Helmut Clemens",
note = "Publisher Copyright: {\textcopyright} 2021 The Authors. Advanced Engineering Materials published by Wiley-VCH GmbH",
year = "2021",
month = sep,
day = "18",
doi = "10.1002/adem.202100977",
language = "English",
volume = "24.2022",
journal = " Advanced engineering materials",
issn = "1527-2648",
publisher = "Wiley-VCH ",

}

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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 -