Related papers: Phase stability of Ni-Al nanoparticles
The binary phase diagram of the YAlO3 (YAP) - NdAlO3 (NAP) system was determined by differential thermal analysis (DTA) and X-ray powder diffraction (XRD) measurements. High purity nanocrystalline powders and small single crystals of…
The carbon rich phase diagrams of nickel-carbon nanoparticles, relevant to catalysis and catalytic chemical vapor deposition synthesis of carbon nanotubes, are calculated for system sizes up to about 3 nanometers (807 Ni atoms). A tight…
Theory is presented for the phase stability of mixtures containing nanospheres and non-adsorbing reversible supramolecular polymers. This was made possible by incorporating the depletion thickness and osmotic pressure of reversible…
Alkali-activated materials and related alternative cementitious systems are sustainable material technologies that have the potential to substantially lower CO$_2$ emissions associated with the construction industry. However, the impact of…
The mechanical properties of the stoichiometric B2 $\beta$-phase of NiAl are well established, however the effect of off-stoichiometric composition on the fracture toughness has not yet been systematically studied over the entire…
Grain size engineering, particularly reducing grain size into the nanocrystalline regime, offers a promising pathway to further improve the strength-to-weight ratio of Al alloys. Unfortunately, the fabrication of nanocrystalline metals…
The thermodynamical stability of ${\rm Al(BH_4)_3}$ has been investigated using first-principles calculations based on density functional theory. The heats of formation are obtained to be -132 and $-131 {\rm kJ/mol}$ without the zero-point…
We report the results of the Ni-based bulk metallic glass structural evolution and crystallization behavior in situ investigation. The X-ray diffraction (XRD), transmission electron microscopy (TEM), nano-beam diffraction (NBD),…
The stability of a single-walled carbon nanotube placed on top of a catalytic nickel nanoparticle is investigated by means of molecular dynamics simulations. As a case study, we consider the $(12,0)$ nanotube consisting of 720 carbon atoms…
Additively manufactured (AM) aluminum alloys with high strength and thermal stability have broad applications in turbine engines, vacuum pumps, heat exchangers, and many other industrial systems. Employing precipitates with an L1$_2$…
In this work a representative nickel superalloy, Ni70W20Nb10, was investigated in the presence of chlorine to quantify its early-stage dissolution behavior. Surface structures were generated from a bulk configuration sampled in equilibrium…
With the advances in miniaturization, understanding and controlling properties of significant technological systems like silicon in nano regime assumes considerable importance. It turns out that small silicon clusters in the size range of…
The early stage of the reactive interdiffusion in the Cu-Al system was investigated at 350 {\textdegree}C and 300 {\textdegree}C thanks to in-situ transmission electron microscopy. A special care was given to find conditions where the…
Self-diffusion parameters in stoichiometric B2-NiAl solid state crystals were estimated by molecular statics/dynamics simulations with the study of required simulation time to stabilise diffusivity results. An extrapolation procedure to…
This work reports the formation of nano- crystalline Al50Cu28Fe22 by high-energy milling. For obtaining the nano-crystalline material, the Al50Cu28Fe22 alloy synthesized through slow cooling of the molten alloy was subjected to ball…
Coatings of (Al1-xVx)2O3, with x ranging from 0 to 1, were deposited by pulsed DC reactive sputter deposition on Si(100) at a temperature of 550 {\deg}C. XRD showed three different crystal structures depending on V-metal fraction in the…
In Al2O3 suspensions, depending on the experimental conditions very different microstructures can be found, comprising fluid like suspensions, a repulsive structure, and a clustered microstructure. For technical processing in ceramics, the…
Binary Ni$_{62}$Nb$_{38}$ alloy belongs to the unique class of binary off-eutectic systems, which are able to form a bulk glassy state [L. Xia et al., J. Appl. Phys. 99 (2006) 026103]. In the present work, the ($p$, $T$) phase diagram of…
The simulations of the solidification of ternary Al-Cu-Ni alloys by means of a general multi-phase-field model for an arbitrary number of phases reveal that the real microstructure can be generated by coupling the real thermodynamic…
We have performed cascade genetic algorithm and ab initio atomistic thermodynamics under the framework of first-principles density functional theory to study the (meta-)stability of a wide range of LixNy clusters. We found that hybrid…