Phase Stability in U-6Nb Alloy Doped with Ti from the First Principles Theory Article Swipe
A. Landa
,
Per Söderlind
,
Amanda S. Wu
·
YOU?
·
· 2020
· Open Access
·
· DOI: https://doi.org/10.3390/app10103417
YOU?
·
· 2020
· Open Access
·
· DOI: https://doi.org/10.3390/app10103417
First-principles calculations within the density-functional-theory (DFT) approach are conducted in order to explore and explain the effect of small amounts of titanium on phase stability in the U-6Nb alloy. During rapid quenching from high to room temperature, metastable phases α′ (orthorhombic), α″ (monoclinic), and γ0 (tetragonal) can form, depending on Nb concentration. Important mechanical properties depend on the crystal structure and, therefore, an understanding of the effect of impurities on phase stability is essential. Insights on this issue are obtained from quantum-mechanical DFT calculations. The DFT framework does not rely on any material-specific assumptions and is therefore ideal for an unbiased investigation of the U-Nb system.
Related Topics
Concepts
Materials science
Orthorhombic crystal system
Monoclinic crystal system
Density functional theory
Tetragonal crystal system
Metastability
Alloy
Impurity
Phase (matter)
Crystallography
Thermodynamics
Chemical physics
Crystal structure
Condensed matter physics
Computational chemistry
Chemistry
Metallurgy
Physics
Organic chemistry
Metadata
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.3390/app10103417
- https://www.mdpi.com/2076-3417/10/10/3417/pdf?version=1590635219
- OA Status
- gold
- Cited By
- 12
- References
- 66
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W3024169586
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W3024169586Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.3390/app10103417Digital Object Identifier
- Title
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Phase Stability in U-6Nb Alloy Doped with Ti from the First Principles TheoryWork title
- Type
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articleOpenAlex work type
- Language
-
enPrimary language
- Publication year
-
2020Year of publication
- Publication date
-
2020-05-15Full publication date if available
- Authors
-
A. Landa, Per Söderlind, Amanda S. WuList of authors in order
- Landing page
-
https://doi.org/10.3390/app10103417Publisher landing page
- PDF URL
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https://www.mdpi.com/2076-3417/10/10/3417/pdf?version=1590635219Direct link to full text PDF
- Open access
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YesWhether a free full text is available
- OA status
-
goldOpen access status per OpenAlex
- OA URL
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https://www.mdpi.com/2076-3417/10/10/3417/pdf?version=1590635219Direct OA link when available
- Concepts
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Materials science, Orthorhombic crystal system, Monoclinic crystal system, Density functional theory, Tetragonal crystal system, Metastability, Alloy, Impurity, Phase (matter), Crystallography, Thermodynamics, Chemical physics, Crystal structure, Condensed matter physics, Computational chemistry, Chemistry, Metallurgy, Physics, Organic chemistryTop concepts (fields/topics) attached by OpenAlex
- Cited by
-
12Total citation count in OpenAlex
- Citations by year (recent)
-
2025: 3, 2023: 6, 2021: 3Per-year citation counts (last 5 years)
- References (count)
-
66Number of works referenced by this work
- Related works (count)
-
10Other works algorithmically related by OpenAlex
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