English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Tools annual

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Presents the access of premium content as premium feature

Premium Content

Global: Zendy Plus annual

Global: Zendy Free Plan

First-principles calculations were carried out to explore the structural stability, elastic moduli, ductile or brittle behaviour, anisotropy, dynamical stability, and thermodynamic properties of pure Al and CeT 2 Al 20  (T = Ti, V, Cr, Nb, and Ta) intermetallics. The calculated formation enthalpy and phonon frequencies confirm that these intermetallics satisfy the conditions for structural stability. The elastic constants  C ij  , elastic moduli  B ,  G , and  E , and the hardness  H v   indicate these intermetallics have higher hardness and the better resistance against deformation than pure Al. The values of Poisson’s ratio ( v ) and  B / G  indicate that CeT 2 Al 20  intermetallics are all brittle materials. The anisotropic constants and acoustic velocities confirm that CeT 2 Al 20  intermetallics are all anisotropic, but CeV 2 Al 20 , CeNb 2 Al 20 , and CeTa 2 Al 20  are nearly isotropic. Importantly, the calculated thermodynamic parameters show that CeT 2 Al 20  intermetallics exhibit better thermodynamic properties than pure Al at high temperature.

First-Principles Investigation of Structural Stability, Mechanical, Anisotropic, and Thermodynamic Properties of CeT 2 Al 20 Intermetallics