Design of Composites by Infiltration Process: A Case Study of Liquid Ir-Si Alloy/SiC Systems.

The design of processing routes involving the presence of the liquid phase is mainly associated with the knowledge of its surface and transport properties. Despite this need, due to experimental difficulties related to high temperature measurements of metallic melts, for many alloy systems neither thermodynamic nor thermophysical properties data are available. A good example of a system lacking these datasets is the Ir-Si system, although over the last fifty years, the structures and properties of its solid phases have been widely investigated. To compensate the missing data, the Gibbs free energy of mixing of the Ir-Si liquid phase was calculated combining the model predicted values for the enthalpy and entropy of mixing using Miedema's model and the free volume theory, respectively. Subsequently, in the framework of statistical mechanics and thermodynamics, the surface properties were calculated using the quasi-chemical approximation (QCA) for the regular solution, while to obtain the viscosity, the Moelwyn-Hughes (MH) and Terzieff models were applied. Subsequently, the predicted values of the abovementioned thermophysical properties were used to model the non-reactive infiltration isotherm of Ir-Si (eutectic)/SiC system.

Interface Design in Lightweight SiC/TiSi2 Composites Fabricated by Reactive Infiltration Process: Interaction Phenomena between Liquid Si-Rich Si-Ti Alloys and Glassy Carbon.

To properly design and optimize liquid-assisted processes, such as reactive infiltration for fabricating lightweight and corrosion resistant SiC/TiSi2 composites, the extensive knowledge about the interfacial phenomena taking place when liquid Si-rich Si-Ti alloys are in contact with glassy carbon (GC) is of primary importance. To this end, the wettability of GC by two different Si-rich Si-Ti alloys was investigated for the first time by both the sessile and pendant drop methods at T = 1450 °C. The results obtained, in terms of contact angle values, spreading kinetics, reactivity, and developed interface microstructures, were compared with experimental observations previously obtained for the liquid Si-rich Si-Ti eutectics processed under the same operating conditions. As the main outcome, a different Si content did not seem to affect the final contact angle values. Contrarily, the final developed microstructure at the interface and the spreading kinetics were observed as weakly dependent on the composition. From a practical point of view, Si-Ti alloy compositions with a Si content falling in the simple eutectic region of the Si-Ti phase diagram might be potentially used as infiltrating materials of C- and SiC-based composites.

Synthesis and thermodynamics of Ag-Cu nanoparticles.

Metallic silver, copper, and Ag-Cu nanoparticles (NPs) have been produced by a chemical reduction method. The obtained nanoparticles were characterized by powder X-ray diffraction (XRD) and transmission electron microscopy (TEM). A side-segregated configuration was observed for the one-pot synthesized Ag-Cu NPs, and the melting temperature depression of about 14 °C was found by differential scanning calorimetry (DSC). A comparison between the new experimental data, the literature data on Ag-Cu bimetallic NPs and the corresponding theoretical values obtained from the Ag-Cu nano-sized phase diagram was done, whereas the melting behaviour of Ag and Cu metal nanoparticles was discussed in the framework of the liquid layer model (LLM).

Multiscale approach for studying melting transitions in CuPt nanoparticles.

A multiscale approach, based on the combination of CALPHAD and molecular dynamics (MD) simulation, is applied in order to understand the melting transition taking place in CuPt nanoalloys. We found that in systems containing up to 1000 atoms, the morphology adopted by the nanoparticles causes the icosahedral CuPt to melt at temperatures 100 K below that of the other morphologies, if the chemical composition contains less than 30% of Pt. We show that the solid-to-liquid transition in CuPt nanoparticles of a radius equal to or greater than 3 nm could be studied using classical tools.

Chemical ordering in magic-size Ag-Pd nanoparticles.

Chemical ordering in magic-size Ag-Pd nanoalloys is studied by means of global optimization searches within an atomistic potential developed on the basis of density functional theory calculations. Ag-rich, intermediate and Pd-rich compositions are considered for fcc truncated octahedral, icosahedral and decahedral geometric structures. Besides a surface enrichment in Ag, we find a significant subsurface enrichment in Pd, which persists to quite high temperatures as verified by Monte Carlo simulations. This subsurface Pd enrichment is stronger in nanoparticles than in bulk systems and is rationalized in terms of the energetics of the inclusion of a single Pd impurity in an Ag host nanoparticle. Our results can be relevant to the understanding of the catalytic activity of Ag-Pd nanoparticles in those reactions in which subsurface sites play a role.

Surface tension and density of Si-Ge melts.

In this work, the surface tension and density of Si-Ge liquid alloys were determined by the pendant drop method. Over the range of measurements, both properties show a linear temperature dependence and a nonlinear concentration dependence. Indeed, the density decreases with increasing silicon content exhibiting positive deviation from ideality, while the surface tension increases and deviates negatively with respect to the ideal solution model. Taking into account the Si-Ge phase diagram, a simple lens type, the surface tension behavior of the Si-Ge liquid alloys was analyzed in the framework of the Quasi-Chemical Approximation for the Regular Solutions model. The new experimental results were compared with a few data available in the literature, obtained by the containerless method.