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• W3144977145 abstract "In order to expand the applications of aluminum alloy, the ternary aluminum-based intermetallics have attracted the attentions of scientists. In present work, the overall performances of V 2 REAl 20 (RE = Ho, Gd, Ce, La, Y, and Sc) were explored by DFT investigations. The thermodynamic data, lattice vibrations and volume change curves illustrate that six ternary phases are structurally stable. The values of elastic modulus and elastic constants demonstrate that V 2 REAl 20 compounds display the better mechanical properties than aluminum. The 3D and 2D curves constructions and anisotropic indexes explain that V 2 REAl 20 compounds possess the weak anisotropy. Moreover, the thermodynamic curves indicate that ternary V 2 REAl 20 compounds have the better physical properties than aluminum with the elevated temperatures. In the meantime, we provided the discussion in comparison to the results of ternary Ti 2 REAl 20 compounds. • The structural stability and overall performances of V 2 REAl 20 intermetallic cage compounds are studied. • Mechanical properties of V 2 REAl 20 , Ti 2 REAl 20 and Al are discussed comparatively. • Elastic anisotropic properties are discussed by 2D and 3D figure. • The better dynamic and thermodynamic properties are presented." @default.
• W3144977145 created "2021-04-13" @default.
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• W3144977145 date "2021-06-01" @default.
• W3144977145 modified "2023-09-25" @default.
• W3144977145 title "Insight into the structural stability and overall performances of V2REAl20 ternary phases" @default.
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• W3144977145 doi "https://doi.org/10.1016/j.vacuum.2021.110202" @default.
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