Phase behaviors of binary alloys with an embedded atom model potential are investigated using the thermodynamic perturbation theory. The free energies of the liquid and solid phases are computed using the fundamental measure density functional theory and accurate approximations to the hard-sphere mixture correlation functions. The method is applied to calculate the Au-Cu alloy phase diagram. To...

Annealing of dilute binary Cu(Ti), Cu(In), Cu(Al), Cu(Sn), Cu(Mg), Cu(Nb), Cu(B), Cu(Co) and Cu(Ag) alloy films resulted in the strongest <111> fiber texture for Cu(Ti) and the lowest resistivity for Cu(Ag). The behavior of the alloy films was compared and contrasted with that for a pure evaporated Cu film. Electron beam evaporated films with compositions in the range of 2.0-4.2 at% and thickne...

Temperature dependencies of thermal expansion coefficients for the alloys of Pd-Ag, Pd-Cu and Pd-Co binary systems were measured at temperatures up to 900 degrees C, with heating and cooling rates of 5 degrees C/min. The coefficient of thermal expansion of alloys with no transformation in the temperature range of interest in porcelain firing was well approximated by a linear equation of tempera...

Software product line (SPL) engineering involves the modeling, analysis, and configuration of variability-rich systems. We improve the performance of the multi-objective optimization of SPLs in Alloy by several orders of magnitude with two techniques. First, we rewrite the model to remove binary relations that map to integers, which enables removing most of the integer atoms from the universe. ...

Diverse non-equilibrium eutectic structures have attracted numerous experimental and theoretical studies. One special type is the formation of a halo of one phase around a primary dendrite of another phase. In our experiments, it was occasionally observed that ScNi halos grow as dendritic morphology around the primary Sc 2 Ni dendrites in an arc-melted ScNi-Sc 2 Ni off-eutectic binary alloy. Th...

Two widely used jewellery investment casting alloys (platinum with 5 wt% ruthenium (Pt-5Ru) and platinum with 5 wt% cobalt (Pt-5Co)) suffer from poor castability and other drawbacks. In this work thermodynamic calculations of alloy properties were employed to optimise the alloy compositions. Segregation behaviour appeared to be important for the melting range. Scheil simulations were used to si...

The project was launched on September 15, 2009. Over the grant period, we have accomplished all the research objectives proposed in the proposal. Specifically, we have developed and performed Monte Carlo (MC) simulations predicting the surface composition of a series of Pt binary and ternary alloy catalysts, carried out first-principles transition state calculations of the ORR on Pt and Pt allo...

A novel method for fabricating an adhesive resistance surface is presented. Sandblasting and electrochemical machining were introduced to prepare micro-nano structures on the sample surface. Then, the prepared sample was immersed in a tridecafluoroctyltriethoxysilane ethanol solvent. The surface of the aluminum alloy sample roughened and covered with low-surface-energy chemical groups was exami...

We have studied the effects of strong impurity scattering on disordered superconductors beyond the low impurity concentration limit. By applying the full CPA to a superconductiong A-B binary alloy, we calculated the fluctuations of the local order parameters ∆A,∆B and charge densities, nA, nB for weak and strong on site disorder. We find that for narrow band alloy s-wave superconductors the con...

The Cahn-Hilliard equation is very important in materials science. It is a conservation law which describes important qualitative behaviors of two-phase systems, namely, the phase separation process in a binary alloy. This phenomenon can be observed, for instance, when the alloy is cooled down sufficiently. One then observes a partial nucleation (i.e., the apparition of nucleides in the materia...