Elastic and thermodynamic properties of new (Zr3− xTix) AlC2 MAX-phase solid solutions
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 …
2 MAX phases are investigated for the first time using density functional theory and the quasi …
First hafnium-based MAX phase in the 312 family, Hf3AlC2: A first-principles study
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 …
2 have been investigated using the first-principles density functional theory (DFT). The …
Comprehensive first-principles calculations on physical properties of ScV2Ga4 and ZrV2Ga4 in comparison with superconducting HfV2Ga4
We use first-principles method for a comprehensive investigation of structural, elastic,
electronic, Mulliken atomic population based bonding, phonon, thermodynamic and optical …
electronic, Mulliken atomic population based bonding, phonon, thermodynamic and optical …
Recently synthesized (Zr1-xTix) 2AlC (0≤ x≤ 1) solid solutions: Theoretical study of the effects of M mixing on physical properties
The effects of M atomic species mixing on the structural, elastic, electronic, and
thermodynamic properties of newly synthesized MAX phase (Zr 1-x Ti x) 2 AlC (0≤ x≤ 1) …
thermodynamic properties of newly synthesized MAX phase (Zr 1-x Ti x) 2 AlC (0≤ x≤ 1) …
Ab initio predictions of structure and physical properties of the Zr2GaC and Hf2GaC MAX phases under pressure
The electronic structure, structural stability, mechanical, phonon, and optical properties of
Zr2GaC and Hf2GaC MAX phases have been investigated under high pressure using first …
Zr2GaC and Hf2GaC MAX phases have been investigated under high pressure using first …
Screen the thermomechanical and optical properties of the new ductile 314 MAX phase boride Zr3CdB4: A DFT insight
MAX phase borides are the new additions to the MAX phases, which refreshes the research
interests among the scientific community due to their enhanced thermo-mechanical …
interests among the scientific community due to their enhanced thermo-mechanical …
Study of the structural, mechanical and thermodynamic properties of the new MAX phase compounds (Zr1-xTix) 3AlC2
The structural, electronic, mechanical and the thermodynamic properties of the MAX phases
(Zr 1-x Ti x) 3 AlC 2 compounds have been investigated by using the full-potential plane …
(Zr 1-x Ti x) 3 AlC 2 compounds have been investigated by using the full-potential plane …
Physical properties of a novel boron-based ternary compound Ti2InB2
The present study aims to investigate the structural, mechanical, thermal, dynamic and
optical properties of a new type and recently synthesized 212 MAX phase Ti 2 InB 2 in …
optical properties of a new type and recently synthesized 212 MAX phase Ti 2 InB 2 in …
DFT study of the crystal structure, elastic and electronic properties of the phases: Ti2InC (1-x) Nx superconductor
A systematic study was conducted to investigate the effect of substituting C by N on the
crystal structure and elastic electronic properties in the Ti 2 InC (1-x) N x phases using the …
crystal structure and elastic electronic properties in the Ti 2 InC (1-x) N x phases using the …
Synthesis of MAX phases in the Zr-Ti-Al-C system
This study reports on the synthesis and characterization of MAX phases in the (Zr, Ti) n+
1AlC n system. The MAX phases were synthesized by reactive hot pressing and …
1AlC n system. The MAX phases were synthesized by reactive hot pressing and …