Abstract We present first-principles calculations of carbon-doped TiAl alloys. The effect carbon on the structural, electronic, and elastic behavior γ phase ( L 1 0 structure) is investigated. calculated enthalpy formation at zero temperature indicates that atoms favor to occupy rather interstitial than substitutional positions. computed solubility in stoichiometric very low, agreement with exp...

MAX-phases are of increasing interest as coating material for high temperature applications due to their unique metallic well ceramic properties. Herein, the deposition Cr2AlC and Ti3AlC2 or Ti2AlC MAX-phase forming coatings by magnetron sputtering is demonstrated. Using pure elemental targets, manufacturing with a thickness above 7 μm established. The characterized high-temperature X-ray diffr...

In this research, the high-energy planetary mill was employed to produce nanocrystalline Ti-50Al(γ)(at%) powders. Initial powders were mechanically alloyed in 99.9999% and 90% purities of Argon and also Air atmosphere with alloying times up to 50h. The effect of impurity of Argon atmosphere on the microstructure and the rate of phase transformation of Ti-50Al were investigated during mechanical...

The pressure dependence of the lattice and elastic constants binary precipitates γ-TiAl, DO22-Al3Ti α2-Ti3Al are firstly investigated by using a first-principles approach. calculated results at 0 GPa K agree well with existing experimental other theoretical values. Using density-functional perturbation theory (DFPT) under quasiharmonic approximation (QHA), temperature dependencies bulk modulus, ...

This article gives a brief description of the use of diffraction contrast transmission electron microscopy for characterizing the deformation microstructure. The capabilities and limitations of different modes of microscopy are also discussed. One of strengths of transmission electron microscopy technique is its capability to identify uncommon deformation system. This is illustrated by the anal...

Density functional theory is a workhorse of present electronic structure calculations. These are increasingly more applied in materials science as they allow for insight beyond experimental capabilities, testing hypotheses, or isolating various phenomena. Herein, an overview the applications calculations to extracting alloying trends, which, turn, leads refining alloys, presented. The topic cov...