{X,Y}-Cyclacene Graphs with Next Nearest Neighbor Interactions

Eigensolutions of {X( = C,B,N),Y( = C,B,N)}-cyclacene graphs with next nearest neighbor (nnn) interactions have been obtained in analytical forms by adapting n-fold rotational symmetry followed by two-fold rotational symmetry (or a plane of symmetry). Expressions of eigensolution indicate the subspectral relationship among such cyclacenes with an even number of hexagonal rings e.g., eigenvalues of {X,Y}-di-cyclacene are found in the eigenspectra of all such even cyclacenes. Total π-electron energies and highest occupied molecular orbital and lowest unoccupied molecular orbital (HOMO–LUMO) gaps are calculated using the analytical expressions obtained and are found to vary negligibly with the variation of nnn interactions in such cyclacenes. Total π-electron energy is found to increase due to increase in restriction intensity of nnn interactions, whereas the HOMO–LUMO gap of polyacenecs having the even number of hexagonal rings and with one electron at each site (atom) decreases with increase in the restriction intensity since such systems contain degenerate half-filled HOMO (bonding or nonbonding) that are much more vulnerable for perturbations imposed through nnn interactions.     

Kinetic analysis of magnesium aluminate spinel formation: Effect of MgO:Al2O3 ratio and titania dopant

The mechanistic pathway of MgO-Al₂O₃ reaction in solid state to form MgAl₂O₄ spinel was investigated to correlate the kinetic parameters with ratio of reactants (MgO:Al₂O₃) and with the presence of a doping agent, TiO₂. The time-temperature-expansion data of oxide compacts was analyzed using several model free analyses and model based (linear and non-linear) kinetic algorithms. These indicated that spinel formation process can be best described by single step with n-dimensional Avrami equation for every MgO:Al₂O₃ ratio, irrespective of titania dopant. The activation energy (E_a) of the process was proportional to % spinel formed in each system and validated with quantitative XRD analysis. The higher value of Avrami coefficient (n) in 90 wt% Al₂O₃ compositions has been explained with geometric considerations of powder packing. Incorporations of 1% TiO₂ in the MgO: Al₂O₃ oxide compact did not markedly affect the reaction model, frequency factor and Activation energy.     

Crystal plasticity modeling of deformation and creep in polycrystalline Ti-6242

This paper develops an experimentally validated computational model based on crystal plasticity for the analysis of two-phase α/β Ti-6242 polycrystalline alloys. A rate-dependent elastic-crystal plasticity model is incorporated in this model to accommodate anisotropy in material behavior and tension-compression asymmetry inherent to this alloy. A combination of microtesting, orientation imaging microscopy, computational simulations, and minimization process, involving genetic algorithms, is implemented in this study for careful characterization and calibration of the material parameters. Size effects are considered in this analysis through a simple scaling process. A homogenized equivalent model of the primary α with transformed β colonies is developed for incorporation in the Ti-6242 FE model. The polycrystalline Ti-6242 computational model incorporates accurate phase volume fractions, as well as statistically equivalent orientation distributions to those observed in the orientation imaging microscopy scans. The effects of orientation, misorientations, and microtexture distributions are investigated through simulations by this computational model. The model is used to simulate constant strain rate and creep tests in compression and tension, and the results are compared with experiments. The effects of microstructure and creep-induced load-shedding on the localization of microstructural stresses and strains are studied for potential crack initiation criteria.     

Inference for pth‐order random coefficient integer‐valued autoregressive processes

Abstract. A pth‐order random coefficient integer‐valued autoregressive [RCINAR(p)] model is proposed for count data. Stationarity and ergodicity properties are established. Maximum likelihood, conditional least squares, modified quasi‐likelihood and generalized method of moments are used to estimate the model parameters. Asymptotic properties of the estimators are derived. Simulation results on the comparison of the estimators are reported. The models are applied to two real data sets.     

Generalizing Multi-agent Graph Exploration Techniques

International Journal of Control, Automation and Systems - The system of multiple agents working in coordination for a given task has several advantages on faster completion, fault-tolerance, etc....     

ADVANCED CHEMICAL OXIDATION OF 2,4,6 TRICHLOROPHENOL IN AQUEOUS PHASE BY FENTON'S REAGENT-PART I: EFFECTS OF THE AMOUNTS OF OXIDANT AND CATALYST ON THE TREATMENT REACTION

Fenton's Reagent is a strong oxidant for 2,4,6 Trichlorophenol (TCP) in aqueous phase. This reaction can be effectively utilized to treat an industrial wastewater containing TCP, and reduce the toxicity of the discharge. This paper reports the effects of the amounts of the oxidant (hydrogen peroxide) and the catalyst (ferrous ions), relative to TCP, on the rates and extents of reaction. The progress of each reaction has been monitored in terms of TCP removal, chloride ions release from the organic structure, change in pH, and the reductions in COD and TOC. This information is important in order to maximize the level of treatment with minimum application of chemicals. A set of optimum molar ratios of oxidant to substrate, and catalyst to oxidant were determined.     

ADVANCED CHEMICAL OXIDATION OF 2,4,6 TRICHLOROPHENOL IN AQUEOUS PHASE BY FENTON'S REAGENT-PART II: EFFECTS OF VARIOUS REACTION PARAMETERS ON THE TREATMENT REACTION

Part I of this paper examined the effects of the amounts of oxidant and catalyst on the rates and extents of oxidation of 2,4,6-Trichlorophenol (TCP), in aqueous phase, by Fenton's Reagent. In this part the effects of various reaction parameters, e.g. temperature, pH, oxidation state of catalyst (ferrous versus ferric), mode of addition of oxidant to the reactor (single batch versus multiple increments), and the presence of dissolved oxygen (D.O.) have been examined. The progress of each reaction has been monitored by the rate and extent of release of free chloride ions in the aqueous solution. All the experiments were conducted using optimum molar ratios of the oxidant (hydrogen peroxide) to the substrate (TCP), and the catalyst (ferrous ions) to the oxidant of 5.5:1 and 0.10:1 respectively, as defined in Part I.     

Effect of Alumina Reactivity on the Densification and Properties of Al2O3–Cr2O3 Refractories

Alumina‐chrome (Al₂O₃–Cr₂O₃) refractories with Al₂O₃:Cr₂O₃ molar ratio 1:1 were synthesized in the temperature range of 1400–1700°C by conventional solid–oxide reaction route. The effect of different aluminas (viz., hydrated and calcined) on the densification, microstructure, and properties of Al₂O₃–Cr₂O₃ refractories was investigated without changing the Cr₂O₃ source. The starting materials were analyzed to determine the chemical composition, mineralogy, density, surface area, and particle size. Sintered materials were characterized in terms of densification, phase assemblage, and mechanical strength at room temperature and at higher temperatures. Microstructural evolution at different sintering temperature was correlated with sintering characteristics. It can be concluded that the Al₂O₃–Cr₂O₃ refractories prepared with hydrated alumina as Al₂O₃ source show better densification and hot mechanical strength than corresponding calcined variety.     

Silicon Carbide Based Nanotubes as a Sensing Material for Gaseous H2SiCl2

Silicon - The ability of carbon- and silicon-based nanotubes, including pure carbon, silicon carbide, and Ge-doped silicon carbide nanotubes (CNT, SiCNT, SiCGeNT, respectively), for sensing highly...