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November 12, 2025Advanced Theory and Simulations

Computational Design of M 4 GaC 3 (M = V, Nb, Ta) MAX‐Phases: Stability, Mechanical Strength, and Optical Response Under High Pressure and Temperature

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Authors

IOI. OuadhaMEM. H. El-AhmarHRH. Rached

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Overview

Computational design reveals enhanced stability and mechanical strength in M4GaC3 MAX-phases, suggesting potential in functional materials for energy systems.

Key Points

  • Outstanding mechanical strength observed in M4GaC3 MAX-phases under high pressure and temperature, demonstrating great stability.
  • The compounds show robust performance with ultra-high stiffness, ensuring stability in extreme thermomechanical conditions.
  • Utilizing first principles density functional theory analysis across all three M4GaC3 compounds confirms favorable electronic structure and optical spectra.
  • These findings highlight their potential as multifunctional materials within aerospace and high-performance energy systems.

Cite This Study

Ouadha et al. (2025) studied this question.

synapsesocial.com/papers/69252e83c0ce034ddc355b3bhttps://doi.org/10.1002/adts.202501514
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Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1Computational insights into α‐M<sub>4</sub>GaC<sub>3</sub> (M = Ti, Zr, and Hf) MAX‐phases: Stability, properties, and applications2025 · 4 citations
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  3. 3DFT Insights intoo-MAX Phases, Mo2AAlC2 (A = Zr, Nb, Ta):Potential Candidates for ThermalBarrier Coating Applications2026
  4. 4First-principles study of M<sub>4</sub>AlC<sub>3</sub> (M = Ti, Zr) MAX phases under hydrostatic pressure: material design for industrial applications2025
  5. 5Density-of-States Engineering of the MAX Phase (V <sub>0.2</sub> Cr <sub>0.8</sub> ) <sub>2</sub> GaC by <i>A</i> -Site Alloying with Germanium to Tune the Magnetic Susceptibility2026