Based on the first-principles method of density functional theory, the microscopic mechanism of the effect of addition of alloying element Ru content on the stability and elastic properties of Laves phase TaCr 2 was investigated by parameters such as formation enthalpy, electronic structure, and elastic constants. The addition of Ru atoms tends to preferentially occupy the lattice sites of Cr. With the increase in the Ru content, the alloying ability of Ta 8 Cr 16− n Ru n ( n = 0–6) becomes progressively weaker, the stability gradually decreases, whereas the Poisson’s ratio grows. The bonding peak appears to drop and widen, weakening the bonding strength of Ta–Cr atoms, rendering the shear deformation to be performed easily, thereby improving toughness. When the Ru content rises to 20.83 at%, the bulk modulus, shear modulus, Young’s modulus, and Poisson’s ratio of the alloy attain the maximum value, the brittleness diminishes to the most extent, the resistance to elastic deformation is the strongest, as well at the optimum fracture toughness.
Inhalt
- Research Articles
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16. Januar 2023
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Open AccessThermodynamic analysis of vanadium distribution behavior in blast furnaces and basic oxygen furnaces25. Januar 2023
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Open AccessComparison of data-driven prediction methods for comprehensive coke ratio of blast furnace30. Januar 2023
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2. Februar 2023
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3. Februar 2023
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Open AccessTechnology and analysis of 08Cr9W3Co3VNbCuBN steel large diameter thick wall pipe welding process7. Februar 2023
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Open AccessEffect of post-weld heat treatment on 6156 aluminum alloy joint formed by electron beam welding10. Februar 2023
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Open AccessEffect of high temperature tempering on the phase composition and structure of steelmaking slag13. Februar 2023
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15. Februar 2023
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15. Februar 2023
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3. April 2023
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13. April 2023
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19. Juni 2023
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29. Juli 2023
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Open AccessEvaluating thermal properties and activation energy of phthalonitrile using sulfur-containing curing agents21. September 2023
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4. Oktober 2023
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25. Oktober 2023
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9. November 2023
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10. November 2023
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28. November 2023
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Open AccessMulti-source microwave heating temperature uniformity study based on adaptive dynamic programming31. Dezember 2023
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31. Dezember 2023
- Review Article
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23. November 2023
- Topical Issue on High-temperature Phase Change Materials for Energy Storage
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15. Juni 2023
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7. September 2023
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7. September 2023
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Open AccessGraphite crucible interaction with Fe–Si–B phase change material in pilot-scale experiments13. September 2023
- Topical Issue on Nuclear Energy Application Materials
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27. April 2023
- Special Issue on Polymer and Composite Materials (PCM) and Graphene and Novel Nanomaterials - Part I
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5. Juli 2023
- Special Issue on Recent Developments in 3D Printed Carbon Materials - Part I
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26. Oktober 2023
- Special Issue on Advancements in Solar Energy Technologies and Systems
- Topical Issue on Focus of Hot Deformation of Metaland High Entropy Alloys - Part I