In this article, a detailed study of the recently synthesized MAX phase borides M 2 SB (M= Zr,
Hf and Nb) has been performed via first principles technique. Investigation of mechanical …

We have carried out a first-principles investigation of mechanical, electronic, thermodynamic
and optical properties of the recently predicted thermodynamically stable MAX phase boride …

In this study, the mechanical stability, elastic properties, including single-crystal elastic
constants, polycrystalline elastic modulus and elastic anisotropy, Debye temperatures …

The elastic behavior and thermodynamic properties of recently synthesized (Zr 3− x Ti x) AlC
2 MAX phases are investigated for the first time using density functional theory and the quasi …

Although TM 2 AlC is a promising high-temperature material, the relationship between the
mechanical and thermodynamic properties of TM 2 AlC is unknown. In particular, the …

Abstract 212 MAX phase borides are new additions to the MAX phase family with enhanced
thermo-mechanical properties. In this article, first-principles calculations have been carried …

MAX phase series materials have excellent thermal, electrical and mechanical properties,
and have great research potential. In this work, the structural characteristics, elastic …

The structural, mechanical and electronic properties of (TaNbHfTiZr) C high entropy carbide
are studied by using density functional theory in conjunction with special quasi-random …

The elastic and thermodynamic properties of novel high entropy carbide (HfTaZrTi) C and
(HfTaZrNb) C are studied within density functional theory framework, adopting special quasi …

The ground state physical properties of the newly synthesized 312 MAX compound, Hf 3 AlC
2 have been investigated using the first-principles density functional theory (DFT). The …