Pt-modified NiAl is widely used as a coating material in industry. In this study, the surface energies of NiAl with and without Pt are investigated using first-principles calculations. The presence of Pt in NiAl takes the surface electronic states to higher energies, resulting in an increased surface energy, which explains some of the beneficial effects of Pt on the oxidation resistance of NiAl. The electronic structure of NiAl-Pt alloys is also analyzed in terms of the site preference of Pt in NiAl. Results show that Pt bonds strongly to Al, giving its site preference on the Ni site
Using ab initio density functional theory (DFT), the adhesive behavior of NiAl(110)/Al2O3(0001) inte...
Advanced mechanical properties of Ni-based superalloys strongly depend on the site preferences of al...
Additions of platinum to aluminium oxide forming alloys are known to imporve their high temperature ...
The purpose of the investigation was to study the mechanisms improving oxide scale adherence in Pt-f...
The aim of this work was to investigate the oxidation properties of NiAl coatings and model material...
The beneficial effect of Pt on the durability of aluminide coatings subjected to thermal cycling was...
In order to understand the beneficial effect of Pt on the adherence of thermally grown alumina scale...
The aim of this work was to investigate the oxidation properties of NiAl coatings and model material...
The beneficial effect of adding Pt in diffusion \u3b2-NiAl coating on reducing the tensile stress no...
Key Words ordered compounds, selective oxidation, point defects, environmental parameters ■ Abstract...
The first principles calculations were performed to study the sit preferences and effects on elastic...
DFT study on the the stability and reactivity of Pt(100) and Pt(111) surfaces modified by nickel U...
The least computational expensive Hamiltonian (methods) and wavefunction (basis sets) for diatomic n...
We have used a full-potential linear muffin-tin orbital method to calculate the effects of oxygen im...
The present work is devoted to the effect of Al and Pt content on the oxidation behavior and interdi...
Using ab initio density functional theory (DFT), the adhesive behavior of NiAl(110)/Al2O3(0001) inte...
Advanced mechanical properties of Ni-based superalloys strongly depend on the site preferences of al...
Additions of platinum to aluminium oxide forming alloys are known to imporve their high temperature ...
The purpose of the investigation was to study the mechanisms improving oxide scale adherence in Pt-f...
The aim of this work was to investigate the oxidation properties of NiAl coatings and model material...
The beneficial effect of Pt on the durability of aluminide coatings subjected to thermal cycling was...
In order to understand the beneficial effect of Pt on the adherence of thermally grown alumina scale...
The aim of this work was to investigate the oxidation properties of NiAl coatings and model material...
The beneficial effect of adding Pt in diffusion \u3b2-NiAl coating on reducing the tensile stress no...
Key Words ordered compounds, selective oxidation, point defects, environmental parameters ■ Abstract...
The first principles calculations were performed to study the sit preferences and effects on elastic...
DFT study on the the stability and reactivity of Pt(100) and Pt(111) surfaces modified by nickel U...
The least computational expensive Hamiltonian (methods) and wavefunction (basis sets) for diatomic n...
We have used a full-potential linear muffin-tin orbital method to calculate the effects of oxygen im...
The present work is devoted to the effect of Al and Pt content on the oxidation behavior and interdi...
Using ab initio density functional theory (DFT), the adhesive behavior of NiAl(110)/Al2O3(0001) inte...
Advanced mechanical properties of Ni-based superalloys strongly depend on the site preferences of al...
Additions of platinum to aluminium oxide forming alloys are known to imporve their high temperature ...