Correlation equations for average deposition rate coefficients of nanoparticles in a cylindrical pore

Nanoparticle deposition behavior observed at the Darcy scale represents an average of the processes occurring at the pore scale. Hence, the effect of various pore-scale parameters on nanoparticle deposition can be understood by studying nanoparticle transport at pore scale and upscaling the results to the Darcy scale. In this work, correlation equations for the deposition rate coefficients of nanoparticles in a cylindrical pore are developed as a function of nine pore-scale parameters: the pore radius, nanoparticle radius, mean flow velocity, solution ionic strength, viscosity, temperature, solution dielectric constant, and nanoparticle and collector surface potentials. Based on dominant processes, the pore space is divided into three different regions, namely, bulk, diffusion, and potential regions. Advection-diffusion equations for nanoparticle transport are prescribed for the bulk and diffusion regions, while the interaction between the diffusion and potential regions is included as a boundary condition. This interaction is modeled as a first-order reversible kinetic adsorption. The expressions for the mass transfer rate coefficients between the diffusion and the potential regions are derived in terms of the interaction energy profile. Among other effects, we account for nanoparticle-collector interaction forces on nanoparticle deposition. The resulting equations are solved numerically for a range of values of pore-scale parameters. The nanoparticle concentration profile obtained for the cylindrical pore is averaged over a moving averaging volume within the pore in order to get the 1-D concentration field. The latter is fitted to the 1-D advection-dispersion equation with an equilibrium or kinetic adsorption model to determine the values of the average deposition rate coefficients. In this study, pore-scale simulations are performed for three values of Peclet number, Pe = 0.05, 5, and 50. We find that under unfavorable conditions, the nanoparticle deposition at pore scale is best described by an equilibrium model at low Peclet numbers (Pe = 0.05) and by a kinetic model at high Peclet numbers (Pe = 50). But, at an intermediate Pe (e.g., near Pe = 5), both equilibrium and kinetic models fit the 1-D concentration field. Correlation equations for the pore-averaged nanoparticle deposition rate coefficients under unfavorable conditions are derived by performing a multiple-linear regression analysis between the estimated deposition rate coefficients for a single pore and various pore-scale parameters. The correlation equations, which follow a power law relation with nine pore-scale parameters, are found to be consistent with the column-scale and pore-scale experimental results, and qualitatively agree with the colloid filtration theory. These equations can be incorporated into pore network models to study the effect of pore-scale parameters on nanoparticle deposition at larger length scales such as Darcy scale.

Role of (La, Gd) co-doping on the enhanced dielectric and magnetic properties of BiFeO3 ceramics

The effect of the La3+ and Gd3+ co-doping on the structure, electric and magnetic properties of BiFeO3 (BFO) ceramics are investigated. For the compositions (x=0 and 0 <= y <= 0.15) in the perovskite structured LaxGdyBi1-xFeO3 system, a tiny residual phase of Bi2Fe4O9 is noticed. Such a secondary phase is suppressed with the incorporation of `La' content (x). The magnitude of dielectric constant (epsilon(r) increases progressively by increasing the `La' content from x=0 to 0.15 with a remarkable decrease of dielectric loss. For x=0.15, the system LaxGdyBi1-x(x+y)FeO3 exhibits highest remanent magnetization (M-r) of 0.18 emu/g and coercive magnetic field (H-c) of similar to 1 Tin the presence of external magnetic field of 9 T at 300 K. The origin of enhanced dielectric and magnetic properties of LaxGdyBil (x+y)Fe03 and the role of doping elements, La3+, Gd3+ has been discussed. (C) 2015 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

Behavior of Brick-Mortar Interfaces in FRP-Strengthened Masonry Assemblages under Normal Loading and Shear Loading

Determination of shear strength of brick-mortar bed joint is critical to overcome the sliding-shear or joint-shear failure in masonry. In the recent past, researchers have attempted to enhance the shear strength and deformation capacity of brick-mortar bed joints by gluing fiber-reinforced polymer (FRP) composite across the bed joint. FRP composites offer several advantages like high strength-to-weight ratio, and ease of application in terms of labor, time, and reduced curing period. Furthermore, FRP composites are desirable for strengthening old masonry buildings having heritage value because of its minimal interference with the existing architecture. A majority of earlier studies on shear strengthening of masonry available in the literature adopted masonry having the ratio of modulus of elasticity of masonry unit (Emu) to modulus of elasticity of mortar (Em) greater than one. Information related to shear behavior of FRP glued masonry composed of masonry units having Young's modulus lower than mortar is limited. Hence the present study is focused on characterizing the interfacial behavior of brick-mortar bed joint of masonry assemblages composed of solid burnt clay bricks and cement-sand mortar (E-mu/E-m ratio less than one), strengthened with FRP composites. Masonry triplets and prisms with bed joint inclined to loading axis (0 degrees, 30 degrees, 45 degrees, 60 degrees and 90 degrees) are employed in this study. Glass and carbon FRP composites composed of bidirectional FRP fabric with equal density in both directions are used for strengthening masonry. Masonry triplets are glued with glass and carbon FRP composites in two configurations: (1) both faces of the triplet specimens are fully glued with GFRP composites; and (2) both faces of the triplet specimens are glued with GFRP and CFRP composites in strip form. The performance of masonry assemblages strengthened with FRP composites is assessed in terms of gain in shear strength, shear displacement, and postpeak behavior for various configurations and types of FRP composites considered. A semianalytical model is proposed for the prediction of shear strength of masonry bed joints glued with FRP composites. A composite failure envelope consisting of a Coulomb friction model and a compression cap is obtained for unreinforced masonry and GFRP-strengthened masonry based on the test results of masonry triplets and masonry prisms with bed joints having various inclinations to the loading (C) 2015 American Society of Civil Engineers.

Outstanding dielectric constant and piezoelectric coefficient in electrospun nanofiber mats of PVDF containing silver decorated multiwall carbon nanotubes: assessing through piezoresponse force microscopy

In order to enhance the piezoelectric b-phase, PVDF was electrospun from DMF solution. The enhanced b-phase was discerned by comparing the electrospun fibers against the melt mixed samples. While both the processes resulted in phase transformation of a-to electroactive b-polymorph in PVDF, the fraction of b-phase was strongly dependent on the adopted process. Two different nanoscopic particles: carboxyl functionalized multiwall carbon nanotubes (CNTs) and silver (Ag) decorated CNTs were used to further enhance the piezoelectric coefficient in the electrospun fibers. Fourier transform infrared spectroscopy (FTIR) and wide-angle X-ray diffraction (XRD) supports the development of piezoelectric b-phase in PVDF. It was concluded that electrospinning was the best technique for inducing the b-polymorph in PVDF. This was attributed to the high voltage electrostatic field that generates extensional forces on the polymer chains that aligns the dipoles in one direction. The ferroelectric and piezoelectric measurement on electrospun fibers were studied using piezo-response force microscope (PFM). The Ag-CNTs filled PVDF electrospun fibers showed the highest piezoelectric coefficient (d(33) = 54 pm V-1) in contrast to PVDF/CNT fibers (35 pm V-1) and neat PVDF (30 pm V-1). This study demonstrates that the piezoelectric coefficient can be enhanced significantly by electrospinning PVDF containing Ag decorated nanoparticles.

High temperature deformation behavior of Nb-1 wt.%Zr alloy

The hot deformation behavior of Nb-1 wt.%Zr alloy was studied using uniaxial compression tests carried out in vacuum to a true strain of 0.6 in the temperature range of 900 to 1700 degrees C and the strain rate range of 3 x 10(-3) to 10 s(-1). The optimum regime of hot workability of Nb-1Zr alloy was determined from the strain rate sensitivity (m) contour plots. A high m of about 02 was obtained in the temperature and strain rate range of 1200-1500 degrees C and 10(-3) to 10(-1) s(-1) and 1600-1700 degrees C and 10(-1) to 1 s(-1). Microstructure of the deformed samples showed features of dynamic recrystallization within the high strain rate sensitivity domain. Compared to the study on Nb-1Zr-0.1C alloy, Nb-1Zr showed a lower flow stress and an optimum hot working domain at lower temperatures. In the 1500 to 1700 degrees C range the apparent activation energy of deformation for Nb-1Zr was 259 kJ mol(-1), the stress exponent 5, and the activation volume about 200 to 700 b(3). (C) 2015 Elsevier Ltd. All rights reserved.

Dielectric investigation of high-k yttrium copper titanate thin films

We report on the first dielectric investigation of high-k yttrium copper titanate thin films, which were demonstrated to be very promising for nanoelectronics applications. The dielectric constant of these films is found to vary from 100 down to 24 (at 100 kHz) as a function of deposition conditions, namely oxygen pressure and film thickness. The physical origin of such variation was investigated in the framework of universal dielectric response and Cole-Cole relations and by means of voltage dependence studies of the dielectric constant. Surface-related effects and charge hopping polarization processes, strictly dependent on the film microstructure, are suggested to be mainly responsible for the observed dielectric response. In particular, the bulky behaviour of thick films deposited at lower oxygen pressure evolves towards a more complex and electrically heterogeneous structure when either the thickness decreases down to 50 nm or the films are grown under high oxygen pressure.

Evolution of Jahn-Teller distortion, transport and dielectric properties with doping in perovskite NdFe1-xMnxO3 (0 <= x <= 1) compounds

We have carried out dielectric and transport measurements in NdFe1-xMnxO3 (0 <= x <= 1) series of compounds and studied the variation of activation energy due to a change in Mn concentration. Despite similar ionic radii in Mn3+ and Fe3+, large variation is observed in the lattice parameters and a crossover from dynamic to static Jahn-Teller distortion is discernible. The Fe/Mn-O-Fe/Mn bond angle on the ab plane shows an anomalous change with doping. With an increase in the Mn content, the bond angle decreases until x = 0.6; beyond this, it starts rising until x = 0.8 and again falls after that. A similar trend is observed in activation energies estimated from both transport and dielectric relaxation by assuming a small polaron hopping (SPH) model. Impedance spectroscopy measurements delineate grain and grain boundary contributions separately both of which follow the SPH model. Frequency variation of the dielectric constant is in agreement with the modified Debye law from which relaxation dispersion is estimated.

Dielectric investigation of high-k yttrium copper titanate thin films

We report on the first dielectric investigation of high-k yttrium copper titanate thin films, which were demonstrated to be very promising for nanoelectronics applications. The dielectric constant of these films is found to vary from 100 down to 24 (at 100 kHz) as a function of deposition conditions, namely oxygen pressure and film thickness. The physical origin of such variation was investigated in the framework of universal dielectric response and Cole-Cole relations and by means of voltage dependence studies of the dielectric constant. Surface-related effects and charge hopping polarization processes, strictly dependent on the film microstructure, are suggested to be mainly responsible for the observed dielectric response. In particular, the bulky behaviour of thick films deposited at lower oxygen pressure evolves towards a more complex and electrically heterogeneous structure when either the thickness decreases down to 50 nm or the films are grown under high oxygen pressure.

On variant distribution and coarsening behavior of the a phase in a metastable beta titanium alloy

The stereology, variant distribution and coarsening behavior of semicoherent alpha(hcp) precipitates in a beta(bcc) matrix of a Ti5553 alloy has been analyzed, and a dominant 3-variant cluster has been observed in which the variants are related to each other by an axis-angle pair <<11(2)over bar> 0 >/60 degrees. Shape and spatial distribution independent elastic self and interaction energies for all pairwise and triplet combinations of a have been calculated and it is found that the 3-cluster combination that is experimentally observed most frequently has the lowest energy for the semicoherent state. The coarsening behavior of the delta distribution follows LSW kinetics after an initial transient, and has been modeled by phase field methods. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Asymptotic behavior and interpretation of virtual states: The effects of confinement and of basis sets

A real-space high order finite difference method is used to analyze the effect of spherical domain size on the Hartree-Fock (and density functional theory) virtual eigenstates. We show the domain size dependence of both positive and negative virtual eigenvalues of the Hartree-Fock equations for small molecules. We demonstrate that positive states behave like a particle in spherical well and show how they approach zero. For the negative eigenstates, we show that large domains are needed to get the correct eigenvalues. We compare our results to those of Gaussian basis sets and draw some conclusions for real-space, basis-sets, and plane-waves calculations. (C) 2016 AIP Publishing LLC.

Electrical conductivity and dielectric relaxation studies on microwave synthesized Na2SO4 center dot NaPO3 center dot MoO3 glasses

Electrical conductivity and dielectric relaxation studies on SO4 (2-) doped modified molybdo-phosphate glasses have been carried out over a wide range of composition, temperature and frequency. The d.c. conductivities which have been measured by both digital electrometer (four-probe method) and impedance analyser are comparable. The relaxation phenomenon has been rationalized using electrical modulus formalism. The use of modulus representation in dielectric relaxation studies has inherent advantages viz., experimental errors arising from the contributions of electrode-electrolyte interface capacitances are minimized. The relaxation observed in the present study is non-Debye type. The activation energies for relaxation were determined using imaginary parts of electrical modulus peaks which were close to those of the d.c. conductivity implying the involvement of similar energy barriers in both the processes. The enhanced conductivity in these glasses can be attributed to the migration of Na+, in expanded structures due to the introduction of SO4 (2-) ions.

Green Nanosilver as Reinforcing Eco-Friendly Additive to Epoxy Coating for Augmented Anticorrosive and Antimicrobial Behavior

Epoxy resin GY250 representing diglycidyl ethers of bisphenol-A (DGEBA) was reinforced with 1, 3 and 5 wt % of surface functionalized silver nanoparticles (F-AgNPs) which were synthesized using Couroupita guianensis leaves extract with a view of augmenting the corrosion control property of the epoxy resin and also imparting antimicrobial activity to epoxy coatings on mild steel. Corrosion resistance of the coatings was evaluated by EIS, potentiodynamic polarization studies and cross scratch tests. AFM, SEM, HRTEM and EDX were utilized to investigate the surface topography, morphology and elemental composition of the coatings on MS specimens. Results showed that the corrosion resistance, hardness and T-g of the DGEBA/F-AgNPs coatings increased at 1 wt % of F-AgNPs. The DGEBA/F-AgNPs coatings also offered manifold antimicrobial protection to the MS surfaces by inhibiting the growth of biofilm forming bacteria like P. aeruginosa, B. subtilis, the most common human pathogen E. coli and the most virulent human pathogenic yeast C. albicans.