Suspensions of polymer-grafted nanoparticles with added polymers-Structure and effective pair-interactions

We present the results of combined experimental and theoretical (molecular dynamics simulations and integral equation theory) studies of the structure and effective interactions of suspensions of polymer grafted nanoparticles (PGNPs) in the presence of linear polymers. Due to the absence of systematic experimental and theoretical studies of PGNPs, it is widely believed that the structure and effective interactions in such binary mixtures would be very similar to those of an analogous soft colloidal material-star polymers. In our study, polystyrene-grafted gold nanoparticles with functionality f = 70 were mixed with linear polystyrene (PS) of two different molecular weights for obtaining two PGNP: PS size ratios, xi = 0.14 and 2.76 (where, xi = M-g/M-m, M-g and M-m being the molecular weights of grafting and matrix polymers, respectively). The experimental structure factor of PGNPs could be modeled with an effective potential (Model-X), which has been found to be widely applicable for star polymers. Similarly, the structure factor of the blends with xi = 0.14 could be modeled reasonably well, while the structure of blends with xi = 2.76 could not be captured, especially for high density of added polymers. A model (Model-Y) for effective interactions between PGNPs in a melt of matrix polymers also failed to provide good agreement with the experimental data for samples with xi = 2.76 and high density of added polymers. We tentatively attribute this anomaly in modeling the structure factor of blends with xi = 2.76 to the questionable assumption of Model-X in describing the added polymers as star polymers with functionality 2, which gets manifested in both polymer-polymer and polymer-PGNP interactions especially at higher fractions of added polymers. The failure of Model-Y may be due to the neglect of possible many-body interactions among PGNPs mediated by matrix polymers when the fraction of added polymers is high. These observations point to the need for a new framework to understand not only the structural behavior of PGNPs but also possibly their dynamics and thermo-mechanical properties as well. (C) 2015 AIP Publishing LLC.

Synthesis of Novel Benzofuran-Gathered C-2,4,6-substituted Pyrimidine Derivatives Conjugated by Sulfonyl Chlorides: Orally Bioavailable, Selective, Effective Antioxidants and Antimicrobials Drug Candidates

In the present study, we have made an effort to develop the novel synthetic antioxidants and antimicrobials with improved potency. The novel benzofuran-gathered C-2,4,6-substituted pyrimidine derivatives 5a, 5b, 5c, 5d, 5e, 5f, 6a, 6b, 6c, 6d, 6e, 6f, 7a, 7b, 7c, 7d, 7e, 7f, 8a, 8b, 8c, 8d, 8e, 8f, 9a, 9b, 9c, 9d, 9e, 9f were synthesized by simple and efficient four-step reaction pathway. Initially, o-alkyl derivative of salicylaldehyde readily furnish corresponding 2-acetyl benzofuran 2 in good yield, upon the treatment with potassium tertiary butoxide in the presence of molecular sieves. Further, Claisen-Schmidt condensation with aromatic aldehydes via treatment with thiourea followed by coupling reaction with different sulfonyl chlorides afforded target compounds. The structures of newly synthesized compounds were confirmed by IR, H-1 NMR, C-13 NMR, mass, and elemental analysis and further screened for their antioxidant and antimicrobial activities. The results showed that the synthesized compounds 8b, 8e, 9b, and 9e produced significant antioxidant activity with 50% inhibitory concentration higher than that of reference, whereas compounds 7d and 7c produced dominant antimicrobial activity at concentrations 1.0 and 0.5mg/mL compared with standard Gentamicin and Nystatin, respectively.

Improved recognition of aged Kannada documents by effective segmentation of merged characters

In optical character recognition of very old books, the recognition accuracy drops mainly due to the merging or breaking of characters. In this paper, we propose the first algorithm to segment merged Kannada characters by using a hypothesis to select the positions to be cut. This method searches for the best possible positions to segment, by taking into account the support vector machine classifier's recognition score and the validity of the aspect ratio (width to height ratio) of the segments between every pair of cut positions. The hypothesis to select the cut position is based on the fact that a concave surface exists above and below the touching portion. These concave surfaces are noted down by tracing the valleys in the top contour of the image and similarly doing it for the image rotated upside-down. The cut positions are then derived as closely matching valleys of the original and the rotated images. Our proposed segmentation algorithm works well for different font styles, shapes and sizes better than the existing vertical projection profile based segmentation. The proposed algorithm has been tested on 1125 different word images, each containing multiple merged characters, from an old Kannada book and 89.6% correct segmentation is achieved and the character recognition accuracy of merged words is 91.2%. A few points of merge are still missed due to the absence of a matched valley due to the specific shapes of the particular characters meeting at the merges.

Baryon squishing in synthetic dimensions by effective SU(M) gauge fields

The ``synthetic dimension'' proposal A. Celi et al., Phys. Rev. Lett. 112, 043001 (2014)] uses atoms with M internal states (''flavors'') in a one-dimensional (1D) optical lattice, to realize a hopping Hamiltonian equivalent to the Hofstadter model (tight-binding model with a given magnetic flux per plaquette) on an M-sites-wide square lattice strip. We investigate the physics of SU(M) symmetric interactions in the synthetic dimension system. We show that this system is equivalent to particles with SU(M) symmetric interactions] experiencing an SU(M) Zeeman field at each lattice site and a non-Abelian SU(M) gauge potential that affects their hopping. This equivalence brings out the possibility of generating nonlocal interactions between particles at different sites of the optical lattice. In addition, the gauge field induces a flavor-orbital coupling, which mitigates the ``baryon breaking'' effect of the Zeeman field. For M particles, concomitantly, the SU(M) singlet baryon which is site localized in the usual 1D optical lattice, is deformed to a nonlocal object (''squished baryon''). We conclusively demonstrate this effect by analytical arguments and exact (numerical) diagonalization studies. Our study promises a rich many-body phase diagram for this system. It also uncovers the possibility of using the synthetic dimension system to laboratory realize condensed-matter models such as the SU(M) random flux model, inconceivable in conventional experimental systems.

Solution processible Cu2SnS3 thin films for cost effective photovoltaics: Characterization

Thin films of Cu2SnS3 (CTS) were deposited by the facile solution processed sol-gel route followed by a low-temperature annealing. The Cu-Sn-thiourea complex formation was analysed using Fourier Transform Infrared spectrophotometer (FTIR). The various phase transformations and the deposition temperature range for the initial precursor solution was determined using Thermogravimetric analysis (TGA) and Differential Scanning Calorimetry (DSC). X-Ray Diffraction (XRD) studies revealed the tetragonal phase formation of the CTS annealed films. Raman spectroscopy studies further confirmed the tetragonal phase formation and the absence of any deterioratory secondary phases. The morphological investigations and compositional analysis of the films were determined using Scanning Electron Microscopy (SEM) and Energy Dispersive Spectroscopy (EDS) respectively. Atomic Force Microscopy (AFM) was used to estimate the surface roughness of 1.3 nm. The absorption coefficient was found to be 10(4) cm(-1) and bandgap 1.3 eV which qualifies CTS to be a potential candidate for photovoltaic applications. The refractive index, extinction coefficient and relative permittivity of the film were measured by Spectroscopic ellipsometry. Hall effect measurements, indicated the p type nature of the films with a hole concentration of 2 x 10(18) cm(-3), electrical conductivity of 9 S/cm and a hole mobility of 29 cm(2)/V. The properties of CTS as deduced from the current study, present CTS as a potential absorber layer material for thin film solar cells. (C) 2015 Elsevier B.V. All rights reserved.

Simulation of Effective Thermal Conductivity of Metal Hydride Packed Beds

Several mathematical models are available for estimation of effective thermal conductivity of nonreactive packed beds. Keeping in view the salient differences between metal hydride beds in which chemisorption of hydrogen takes place and conventional nonreactive packed beds, modified models are proposed here to predict the effective thermal conductivity. Variation in properties such as solid thermal conductivity and porosity during hydrogen absorption and desorption processes are incorporated. These extended models have been applied to simulate the effective thermal conductivity of the MmNi(4.5)Al(0.5) hydride bed and are compared with the experimental results. Applicability of the extended models for estimation of the effective thermal conductivity at different operating conditions such as pressure, temperature, and hydrogen concentration is discussed.

Cost effective campaigning in social networks

Campaigners are increasingly using online social networking platforms for promoting products, ideas and information. A popular method of promoting a product or even an idea is incentivizing individuals to evangelize the idea vigorously by providing them with referral rewards in the form of discounts, cash backs, or social recognition. Due to budget constraints on scarce resources such as money and manpower, it may not be possible to provide incentives for the entire population, and hence incentives need to be allocated judiciously to appropriate individuals for ensuring the highest possible outreach size. We aim to do the same by formulating and solving an optimization problem using percolation theory. In particular, we compute the set of individuals that are provided incentives for minimizing the expected cost while ensuring a given outreach size. We also solve the problem of computing the set of individuals to be incentivized for maximizing the outreach size for given cost budget. The optimization problem turns out to be non trivial; it involves quantities that need to be computed by numerically solving a fixed point equation. Our primary contribution is, that for a fairly general cost structure, we show that the optimization problems can be solved by solving a simple linear program. We believe that our approach of using percolation theory to formulate an optimization problem is the first of its kind. (C) 2016 Elsevier B.V. All rights reserved.

Position-dependent velocity of an effective temperature point for the estimation of the thermal diffusivity of solids

A new approach is proposed to estimate the thermal diffusivity of optically transparent solids at ambient temperature based on the velocity of an effective temperature point (ETP), and by using a two-beam interferometer the proposed concept is corroborated. 1D unsteady heat flow via step-temperature excitation is interpreted as a `micro-scale rectilinear translatory motion' of an ETP. The velocity dependent function is extracted by revisiting the Fourier heat diffusion equation. The relationship between the velocity of the ETP with thermal diffusivity is modeled using a standard solution. Under optimized thermal excitation, the product of the `velocity of the ETP' and the distance is a new constitutive equation for the thermal diffusivity of the solid. The experimental approach involves the establishment of a 1D unsteady heat flow inside the sample through step-temperature excitation. In the moving isothermal surfaces, the ETP is identified using a two-beam interferometer. The arrival-time of the ETP to reach a fixed distance away from heat source is measured, and its velocity is calculated. The velocity of the ETP and a given distance is sufficient to estimate the thermal diffusivity of a solid. The proposed method is experimentally verified for BK7 glass samples and the measured results are found to match closely with the reported value.

Effective thermal conductivity of reactive packed beds of hydriding materials

Applications of hydriding materials for solid state hydrogen storage, hydrogen compression, thermal energy storage and sorption heating and cooling systems have been demonstrated successfully. However, the performance of these devices significantly depends upon heat and mass transfer characteristics of the reactive packed beds. One of the important parameters regulating heat and mass transfer in the hydriding bed is its effective thermal conductivity (ETC), which is dependent on several operating parameters such as pressure and temperature. ETC also varies significantly due to the variation of hydrogen concentration during the hydriding and dehydriding processes. Based on the extensive studies done by the authors on ETC of metal hydride beds, a review of experimental methods, mathematical studies and augmentation techniques is presented in this paper, with emphasis on the effects of operating parameters on ETC. (C) 2016 Elsevier Ltd. All rights reserved.

Stress-strain fields and the effectiveness shear properties for three-phase composites with imperfect interface

Based on the 'average stress in the matrix' concept of Mori and Tanaka (:Mori, T., Tanaka, K., 1973. Average stress in matrix and average elastic energy of materials with misfitting inclusion. Acta Metall. 21, 571-580) a micromechanical model is presented for the prediction of the elastic fields in coated inclusion composites with imperfect interfaces. The solutions of the effective elastic moduli for this kind of composite are also obtained. In two kinds of composites with coated particulates and fibers, respectively, the interface imperfections are takes to the assumption that the interface displacement discontinues are linearly related to interface tractions like a spring layer of vanishing thickness. The resulting effective shear modulus for each material and the stress fields in the composite are presented under a transverse shear loading situation.

Evaluation of the Effectiveness of Representative Methods for Determining Young's Modulus and Hardness from Instrumented Indentation Data

The effectiveness of Oliver & Pharr's (O&P's) method, Cheng & Cheng's (C&C's) method, and a new method developed by our group for estimating Young's modulus and hardness based on instrumented indentation was evaluated for the case of yield stress to reduced Young's modulus ratio (sigma(y)/E-r) >= 4.55 x 10(-4) and hardening coefficient (n) <= 0.45. Dimensional theorem and finite element simulations were applied to produce reference results for this purpose. Both O&P's and C&C's methods overestimated the Young's modulus under some conditions, whereas the error can be controlled within +/- 16% if the formulation was modified with appropriate correction functions. Similar modification was not introduced to our method for determining Young's modulus, while the maximum error of results was around +/- 13%. The errors of hardness values obtained from all the three methods could be even larger and were irreducible with any correction scheme. It is therefore suggested that when hardness values of different materials are concerned, relative comparison of the data obtained from a single standard measurement technique would be more practically useful. It is noted that the ranges of error derived from the analysis could be different if different ranges of material parameters sigma(y)/E-r and n are considered.

Analysis of Wave-Induced Effective Stresses of Seabed

波浪作用下海床的稳定性分析是海洋工程地质评价的重要内容。海床的稳定性可通过计算分析其随时间变化的有效应力场来评估。建议了一个周期载荷作用下土体的本构模型,并用于计算波浪作用下海床的应力与变形。采用Biot固结理论和有限单元法,分析了海床的动态应力场与孔隙水压力场。波浪作用下两种渗透系数时有效应力的动态变化过程结果对比,反映了渗透消散作用对海床有效应力变化的影响。

Applicability Range of Stoneys Formula and Modified Formulas for a Film/Substrate Bilayer

In addition to the layer thickness and effective Young’s modulus, the impact of the kinematic assumptions, interfacial condition, in-plane force, boundary conditions, and structure dimensions on the curvature of a film/substrate bilayer is examined. Different models for the analysis of the bilayer curvature are compared. It is demonstrated in our model that the assumption of a uniform curvature is valid only if there is no in-plane force. The effects of boundary conditions and structure dimensions, which are not-fully-included in previous models are shown to be significant. Three different approaches for deriving the curvature of a film/substrate bilayer are presented, compared, and analyzed. A more comprehensive study of the conditions regarding the applicability of Stoney’s formula and modified formulas is presented.

Relationships between hardness, elastic modulus, and the work of indentation

The work done during indentation is examined using dimensional analysis and finite element calculations for conical indentation in elastic-plastic solids with work hardening. An approximate relationship between the ratio of hardness to elastic modulus and the ratio of irreversible work to total work in indentation is found. Consequently, the ratio of hardness to elastic modulus may be obtained directly from measuring the work of indentation. Together with a well-known relationship between elastic modulus, initial unloading slope, and contact area, a new method is then suggested for estimating the hardness and modulus of solids using instrumented indentation with conical or pyramidal indenters.