First-Principles Calculations of Structural and Mechanical Properties of Cu–Ni Alloys Article Swipe
Yun Wei
,
Ben Niu
,
Qi‐Jun Liu
,
Zheng‐Tang Liu
,
Cheng-Lu Jiang
·
YOU?
·
· 2022
· Open Access
·
· DOI: https://doi.org/10.3390/cryst13010043
YOU?
·
· 2022
· Open Access
·
· DOI: https://doi.org/10.3390/cryst13010043
Nanostructured Cu–Ni alloys have become the focus of public attention due to their better corrosion resistance and high hardness in experimental measurements. First-principles calculation based on the density functional theory (DFT) has been confirmed as an effective tool and used to illustrate the mechanical properties of these alloys. In this paper, the DFT has been employed to calculate the mechanical properties of Cu–Ni alloys, including bulk modulus, shear modulus, Young’s modulus, anisotropic index, Poisson’s ratio, average velocity, and B/G. We find that the Ni-rich Cu–Ni alloys have relatively higher mechanical parameters, and the Cu-rich alloys have smaller mechanical parameters, which is consistent with previous experiments. This provides an idea for us to design alloys to improve alloy strength.
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Metadata
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.3390/cryst13010043
- https://www.mdpi.com/2073-4352/13/1/43/pdf?version=1673336875
- OA Status
- gold
- Cited By
- 12
- References
- 30
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W4313260775
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Raw OpenAlex JSON
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https://openalex.org/W4313260775Canonical identifier for this work in OpenAlex
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https://doi.org/10.3390/cryst13010043Digital Object Identifier
- Title
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First-Principles Calculations of Structural and Mechanical Properties of Cu–Ni AlloysWork title
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articleOpenAlex work type
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enPrimary language
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2022Year of publication
- Publication date
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2022-12-26Full publication date if available
- Authors
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Yun Wei, Ben Niu, Qi‐Jun Liu, Zheng‐Tang Liu, Cheng-Lu JiangList of authors in order
- Landing page
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https://doi.org/10.3390/cryst13010043Publisher landing page
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https://www.mdpi.com/2073-4352/13/1/43/pdf?version=1673336875Direct link to full text PDF
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goldOpen access status per OpenAlex
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https://www.mdpi.com/2073-4352/13/1/43/pdf?version=1673336875Direct OA link when available
- Concepts
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Materials science, Shear modulus, Alloy, Density functional theory, Modulus, Elastic modulus, Anisotropy, Bulk modulus, Composite material, Metallurgy, Thermodynamics, Computational chemistry, Physics, Quantum mechanics, ChemistryTop concepts (fields/topics) attached by OpenAlex
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12Total citation count in OpenAlex
- Citations by year (recent)
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2025: 3, 2024: 7, 2023: 2Per-year citation counts (last 5 years)
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30Number of works referenced by this work
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10Other works algorithmically related by OpenAlex
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