Silicon Substitution for Aluminum in Calcium Silicate Hydrates

²⁷Al MAS and multiquantum (MQ) MASNMR (magic-angle spinning nuclear magnetic resonance) spectroscopy were used to study the substitution of silicon by aluminum in calcium silicate hydrates (C-S-H), which are the main component of hydrated portland cement. Synthetic C-S-H samples were prepared, and their chemical stability was studied. Two-dimensional 3Q-MASNMR spectra revealed the chemical shift and quadrupolar parameters (delta_iso, nu_Q) that labeled aluminum sites in the C-S-H. Tetrahedral aluminum was observed in the bridging and nonbridging sites of the silicate chains.     

Stable dye-sensitized solar cells based on organic chromophores and ionic liquid electrolyte

A series of polyene-diphenylaniline based organic dyes (coded as D5, D7, D9 and D11) have been reported for the application in ionic liquid electrolyte based dye-sensitized solar cells. The effects of substitution of organic dyes on the photovoltaic performance have been investigated, which show addition of methoxy groups on the triphenylamine donor group increases short-circuit current, open-circuit voltage and photovoltaic performance. A power conversion efficiency of 6.5% under AM 1.5 sunlight at 100 mW/cm² has been obtained with D11 dye in combination with a binary ionic liquid electrolyte, which when subjected to accelerated testing under one sun light soaking at 60 °C, the efficiency remained 90% of initial efficiency.     

Model-driven visualizations of constraint-based local search

Visualization is often invaluable to understand the behavior of optimization algorithms, identify their bottlenecks or pathological behaviors, and suggest remedial techniques. Yet developing visualizations is often a tedious activity requiring significant time and expertise. This paper presents a framework for the visualization of constraint-based local search (CBLS) algorithms. Given a high-level model and a declarative visualization specification, the CBLS visualizer systematically produces animations to visualize constraints and objectives, violations, and conflicts, as well as the temporal behavior of these measures. The visualization specification is declarative and typically composed of a triple (what,where,how) indicating what to display, where, and with which graphical objects. The visualizer architecture is compositional and extensible. It provides building blocks which can be assembled freely by the user and focuses almost exclusively on static aspects, the dynamic aspects being automated by the use of invariants. The paper highlights various functionalities of the visualizer and describes a blueprint for its implementation.     

Effect of Cr additions on the electrical properties of Ni–BaTiO3 ultra-thin multilayer capacitors

Multilayer ceramic capacitors based on BaTiO₃ dielectric compositions and Ni inner electrodes have complex interfacial reactions that impact the continuity of the inner electrode microstructure. Previously we demonstrated that through the addition of Cr to Ni, a significant improvement in the continuity of ultra-thin Ni electrodes in Ni–BaTiO₃ multilayer capacitors could be achieved. Here, the effect of the Cr addition to the nickel electrode pastes is studied with regard to the electrical properties. Low-field electrical measurements demonstrate no major differences between Cr doped Ni and undoped Ni. However, high-field measurements show a significant decrease to the total capacitor resistance. Under a critical electrical bias the conductivity significantly increases due to a Fowler–Nordheim tunneling conduction though the interfacial Schottky barrier at the dielectric–electrode interface; the onset voltage of this conduction is much lower than with the undoped nickel. Based on these results, we evaluate criteria for the selection of an appropriate refractory metal in order to improve the Ni electrode continuity.     

Bunsen section thermodynamic model for hydrogen production by the sulfur–iodine cycle

A model for the Bunsen section of the Sulfur–Iodine thermo-chemical cycle is proposed, where sulfur dioxide reacts with excess water and iodine to produce two demixing liquid aqueous phases (H₂SO₄ rich and HI rich) in equilibrium. Considering the mild temperature and pressure conditions, the UNIQUAC activity coefficient model combined with Engels' solvation model is used. The complete model is discussed, with HI solvation by water and by iodine as well as H₂SO₄ solvation by water, leading to a very high complexity with almost hundred parameters to be estimated from experimental data. Taking into account the water excess, a successful reduced model with only 15 parameters is proposed after defining new apparent species. Acids total dissociation and total H⁺ solvation by water are the main assumptions. Results show a good agreement with published experimental data between 25 °C and 120 °C.     

HIx system thermodynamic model for hydrogen production by the Sulfur–Iodine cycle

The HI_x ternary system (H₂O–HI–I₂) is the latent source of hydrogen for the Sulfur–Iodine thermo-chemical cycle. After analysis of the literature data and models, a homogeneous approach with the Peng–Robinson equation of state used for both the vapor and liquid phase fugacity calculations is proposed for the first time to describe the phase equilibrium of this system. The MHV2 mixing rule is used, with UNIQUAC activity coefficient model combined with of hydrogen iodide solvation by water. This approach is theoretically consistent for HI_x separation processes operating above HI critical temperature. Model estimation is done on selected literature vapor–liquid, liquid–liquid, vapor–liquid–liquid and solid–liquid equilibrium data for the ternary system and the three binaries subsystems. Validation is done on the remaining literature data. Results agree well with the published data, but more experimental effort is needed to improve modeling of the HI_x system.     

Design of multimaterial processed by powder metallurgy: Processing of a (steel/cemented carbides) bilayer material

A bimaterial, consisting of tough and hard layers, was designed to be processed by powder metallurgy. A materials selection software lead to choose steel and cemented carbide for the tough and hard components. To insure the interlayer compatibility, Fe was selected as base of the tough part and as binder of the hard part. The compositions and the temperature range enabling the simultaneous consolidation of the Fe base by transient liquid phase sintering and of the WC base by liquid phase sintering were defined from thermodynamics data. Experiments lead to define a treatment in two steps: presintering (1080 °C) for the partial densification of the Fe base then sintering (1280–1320 °C) to achieve densification and cohesion of the bimaterial. The sintering temperature increase provided a higher liquid fraction leading to interface cohesion but coarse porosity development. Bimaterial, with fair mechanical properties, were obtained by presintering at 1080 °C then sintering at 1280 °C.     

Dielectric and viscoelastic studies of curing epoxy-amine model systems

Summary The curing of different epoxy-amine model systems which present only gelification and/or vitrification processes has been followed with the evolution of their viscoelastic and electrical behaviours during the network formation. Some attempts are performed to correlate the significant evolution of the mechanical and electrical parameters with the physico-chemical changes of these well defined chemical systems during their hardening and complete curing.     

Optimal Hydropower Generation Under Climate Change Conditions for a Northern Water Resources System

This paper examines climate change impacts on the water resources system of the Manicouagan River (Québec, Canada). The objective is to evaluate the performance of existing infrastructures under future climate projections and the associated uncertainties. The main purpose of the water resources system is hydropower production. A reservoir optimization algorithm, Sampling Stochastic Dynamic Programming (SSDP), was used to derive weekly operating decisions for the existing system subject to reservoir inflows reflecting future climate, for optimum hydropower production. These projections are simulations from the SWAT hydrologic model for climate change scenarios for the period from 2010 to 2099. Results show that the climate change will alter the hydrological regime of the study area: earlier timing of the spring flood, reduced spring peak flow, and increased annual inflows volume in the future compared to the historical climate. The SSDP optimization algorithm adapted the operating policy to the future hydrological regime by adjusting water reservoir levels in the winter and spring, and increasing the release through turbines, which in the end increased power generation. However, there could be more unproductive spills for some power plants, which would decrease the overall efficiency of the existing water resources system.