A 0.5 μm thick layer of rhodium was deposited on the CMSX 4 superalloy by the electroplating method. The rhodium-coated superalloy was hafnized and aluminized or only aluminized using the Chemical vapour deposition method. A comparison was made of the microstructure, phase composition, and oxidation resistance of three aluminide coatings: nonmodified (a), rhodium-modified (b), and rhodiumand ha...

First-principles density functional theory calculations are performed to examine five postulated diffusion mechanisms for Ni in NiAl: next-nearest-neighbor NNN jumps, the triple defect mechanism, and three variants of the six-jump cycle. In contrast to most previous theoretical work, which employed empirical interatomic potentials, we provide a more accurate nonempirical description of the mech...

High efficient and sustainable utilization of water-based lubricant is essential for saving energy. In this paper, a kind of layered double hydroxide (LDH) nanoplatelets is synthesized and well dispersed in water due to the surface modification with oleylamine. The excellent tribological properties of the oleylamine-modified Ni-Al LDH (NiAl-LDH/OAm) nanoplatelets as water-based lubricant additi...

The thermodynamic properties of Al, Ni, NiAl, and Ni3Al were studied using the first-principles approach. The 0-K total energies are calculated using the ab initio plane wave pseudopotential method within the generalized gradient approximation. The contribution to the free energy from the lattice vibration was calculated using the phonon densities of states derived by means of the ab initio lin...

Novel metal oxides have been studied worldwide due to their potential uses in ecological refinement, particularly to eliminate organic impurities present in water. In this work, we report the preparation of Ni1-xCoxAl2O4-δ (where x=0, 0.05, 0.10, 0.15 and 0.20) nanoparticles by simple chemical precipitation route. The as-synthesized spinel particles w...

The structure and chemical composition of low-index surfaces of NiAl are investigated by grand canonical Monte Carlo simulations. Atomic interactions in NiAl are modeled by an embedded-atom potential fit to experimental and first-principles data. The simulations are performed at the temperature of 1200 K for the stoichiometric and two Ni-rich bulk compositions. For the ~110! surface, the top su...

While continuum descriptions of oxide film growth are well established, the local structural dynamics during oxide growth are largely unexplored. Here, we investigate this using scanning tunneling microscopy (STM) and X-ray photoelectron spectroscopy (XPS) for the example of alumina film growth on NiAl(110) following NO2 exposure. To maintain a well-defined system, we have adopted a cyclic grow...

We have studied the (110) surface of NiAl, an ordered alloy of B2 structure, using a plane-wave pseudopotential method. The clean surface and several oxidized surfaces were investigated, with oxygen coverages up to 1.5 ML (1 ML = 1 O-atom per surface metal atom). In order to compare the energies of the oxidized structures, which comprise different numbers of metal and oxygen atoms, one has to t...