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.
Contents
- Research Articles
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January 16, 2023
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Open AccessStudy on the cladding path during the solidification process of multi-layer cladding of large steel ingotsJanuary 25, 2023
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Open AccessThermodynamic analysis of vanadium distribution behavior in blast furnaces and basic oxygen furnacesJanuary 25, 2023
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Open AccessComparison of data-driven prediction methods for comprehensive coke ratio of blast furnaceJanuary 30, 2023
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Open AccessEffect of different isothermal times on the microstructure and mechanical properties of high-strength rebarJanuary 28, 2023
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Open AccessAnalysis of the evolution law of oxide inclusions in U75V heavy rail steel during the LF–RH refining processJanuary 30, 2023
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February 2, 2023
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February 3, 2023
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Open AccessTechnology and analysis of 08Cr9W3Co3VNbCuBN steel large diameter thick wall pipe welding processFebruary 7, 2023
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Open AccessEffect of post-weld heat treatment on 6156 aluminum alloy joint formed by electron beam weldingFebruary 10, 2023
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Open AccessEffect of high temperature tempering on the phase composition and structure of steelmaking slagFebruary 13, 2023
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February 15, 2023
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February 15, 2023
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April 3, 2023
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April 13, 2023
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June 19, 2023
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July 29, 2023
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Open AccessEvaluating thermal properties and activation energy of phthalonitrile using sulfur-containing curing agentsSeptember 21, 2023
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October 4, 2023
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October 25, 2023
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November 9, 2023
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November 10, 2023
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November 28, 2023
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Open AccessMulti-source microwave heating temperature uniformity study based on adaptive dynamic programmingDecember 31, 2023
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December 31, 2023
- Review Article
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November 23, 2023
- Topical Issue on High-temperature Phase Change Materials for Energy Storage
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Open AccessCompositional and thermophysical study of Al–Si- and Zn–Al–Mg-based eutectic alloys for latent heat storageFebruary 6, 2023
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June 15, 2023
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September 7, 2023
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September 7, 2023
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Open AccessGraphite crucible interaction with Fe–Si–B phase change material in pilot-scale experimentsSeptember 13, 2023
- Topical Issue on Nuclear Energy Application Materials
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April 27, 2023
- Special Issue on Polymer and Composite Materials (PCM) and Graphene and Novel Nanomaterials - Part I
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July 5, 2023
- Special Issue on Recent Developments in 3D Printed Carbon Materials - Part I
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October 26, 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