The effects of boron and sulfur impurities on the ideal cleavage fracture properties of Ni3Al under tensile stress are investigated using the full-potential linear-muffin-tin-orbital total-energy method, with a repeated slab arrangement of atoms simulating an isolated cleavage plane. Results for the stress-strain relationship, ideal cleavage energies, ideal yield stress and strains with and wit...

Adsorption of CO on metal atoms surfaces is one of the most thoroughly studied adsorption systems. It is a prototypical model system for investigating molecular adsorption, and of fundamental importance in many catalytic reactions. However, real catalysts often consists of several components, and offer geometric and electronic properties different from the elemental surfaces. The Ni3Al(111) sur...

Simultaneously improving strength and ductility has been an attractive theme in materials science engineering. Through designing nanostructures, it is possible to overcome the traditional trade-off between of materials. In this paper, we show that introducing superlattice intrinsic stacking faults nickel aluminide (Ni3Al) can facilitate its toughness. comparison with twin boundaries, enhancing ...

We have studied by Spot Profile Analysis Low Energy Electron Diffraction (SPALEED) and Auger Electron Spectroscopy (AES) Ni-Al alloyed layers formed by annealing, around 780 K, Al deposits on a stepped Ni(111) surface. The surface structure and composition of the thin epitaxial Ni3Al and NiAl films, obtained respectively below and above a critical Al initial coverage c θ , differ markedly from ...

The paper presents an overview of current and prospective applications of Ni3Al based intermetallic alloys—modern engineering materials with special properties that are potentially useful for both structural and functional purposes. The bulk components manufactured from these materials are intended mainly for forging dies, furnace assembly, turbocharger components, valves, and piston head of in...

The mechanisms of seeding and nucleation of Cu nanoclusters onto an ultrathin alumina template supported on Ni3Al(111) has been investigated by means of ab initio calculations. Single Cu ad-atom diffusion on the oxide film is effective at room temperature, allowing preferential occupation of the defective sites of the so-called "dot" structure, where the adsorption is much stronger than in the ...

Four Ni-Al intermetallic compounds with the Al concentrations in range of 28 to 35 (in atomic percentage) have been fabricated by laser metal deposition (LMD) through mixing appropriate contents pure Ni powder pre-alloyed high-Al nickel aluminide powder. Ni-35Al and Ni-32Al are both composed more than 45 vol.% β-NiAl matrix phase dispersing γ′-Ni3Al, while Ni-30Al Ni-28Al consisted worm-like, n...