2021
DOI: 10.1002/adem.202100977
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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 s… Show more

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Cited by 7 publications
(1 citation statement)
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References 143 publications
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“…Assuming an average information depth of %5 μm, the inhomogeneous element and phase distribution across the individual layers (see Figure 3a)) may result in different quantities depending Figure 5. XRD data and phase allocation [51][52][53][54][55] for the different sample groups.…”
Section: Xrd Analysismentioning
confidence: 99%
“…Assuming an average information depth of %5 μm, the inhomogeneous element and phase distribution across the individual layers (see Figure 3a)) may result in different quantities depending Figure 5. XRD data and phase allocation [51][52][53][54][55] for the different sample groups.…”
Section: Xrd Analysismentioning
confidence: 99%