Tailoring the band gap and transport properties of Cu3BiS3 nanopowders for photodetector applications

We report a facile route to synthesize high quality earth abundant absorber Cu3BiS3, tailoring the band gap with the morphology manipulation and thereby analyzed the secondary phases and their role in the transport property. The sample at 48 hours reaction profile showed good semiconducting behavior, whereas other samples showed mostly a metallic behavior. Band gap was varied from 1.86 eV to 1.42 eV upon controling the reaction profile from 8 hours to 48 hours. The activation energy was calculated to be 0.102 eV. The temperature coefficient of resistance (TCR) was found to be 0.03432 K-1 at 185 K. The IR photodectection properties in terms of photoresponse have been demonstrated. The high internal gain (G = 3.7 x 10(4)), responsivity (R = 3.2 x 10(4) A W-1) for 50 mW cm(-2) at 5 V make Cu3BiS3, an alternative potential absorber in meliorating the technological applications as near IR photodetectors.

Channel II photocurrent quantification in narrow optical gap polymer-fullerene solar cells with complimentary acceptor absorption

Most charge generation studies on organic solar cells focus on the conventional mode of photocurrent generation derived from light absorption in the electron donor component (so called channel I). In contrast, relatively little attention has been paid to the alternate generation pathway: light absorption in the electron acceptor followed by photo-induced hole transfer (channel II). By using the narrow optical gap polymer poly(3,6-dithieno3,2-b] thiophen-2-yl)-2,5-bis(2-octyldodecyl)-pyrrolo- 3,4-c]pyrrole-1,4-dione-5',5 `'-diyl-alt-4,8-bis(dodecyloxy) benzo1,2-b:4,5-b'] dithiophene-2,6-diyl with two complimentary fullerene absorbers; phenyl-C-61-butyric acid methyl ester, and phenyl-C-71-butyric acid methyl ester (70-PCBM), we have been able to quantify the photocurrent generated each of the mechanisms and find a significant fraction (>30%), which is derived in particular from 70-PCBM light absorption.

Gap renormalization of molecular crystals from density-functional theory

Fundamental gap renormalization due to electronic polarization is a basic phenomenon in molecular crystals. Despite its ubiquity and importance, all conventional approaches within density-functional theory completely fail to capture it, even qualitatively. Here, we present a new screened range-separated hybrid functional, which, through judicious introduction of the scalar dielectric constant, quantitatively captures polarization-induced gap renormalization, as demonstrated on the prototypical organic molecular crystals of benzene, pentacene, and C-60. This functional is predictive, as it contains system-specific adjustable parameters that are determined from first principles, rather than from empirical considerations.

Ground motion prediction equation considering combined dataset of recorded and simulated ground motions

Himalayan region is one of the most active seismic regions in the world and many researchers have highlighted the possibility of great seismic event in the near future due to seismic gap. Seismic hazard analysis and microzonation of highly populated places in the region are mandatory in a regional scale. Region specific Ground Motion Predictive Equation (GMPE) is an important input in the seismic hazard analysis for macro- and micro-zonation studies. Few GMPEs developed in India are based on the recorded data and are applicable for a particular range of magnitudes and distances. This paper focuses on the development of a new GMPE for the Himalayan region considering both the recorded and simulated earthquakes of moment magnitude 5.3-8.7. The Finite Fault simulation model has been used for the ground motion simulation considering region specific seismotectonic parameters from the past earthquakes and source models. Simulated acceleration time histories and response spectra are compared with available records. In the absence of a large number of recorded data, simulations have been performed at unavailable locations by adopting Apparent Stations concept. Earthquakes recorded up to 2007 have been used for the development of new GMPE and earthquakes records after 2007 are used to validate new GMPE. Proposed GMPE matched very well with recorded data and also with other highly ranked GMPEs developed elsewhere and applicable for the region. Comparison of response spectra also have shown good agreement with recorded earthquake data. Quantitative analysis of residuals for the proposed GMPE and region specific GMPEs to predict Nepal-India 2011 earthquake of Mw of 5.7 records values shows that the proposed GMPE predicts Peak ground acceleration and spectral acceleration for entire distance and period range with lower percent residual when compared to exiting region specific GMPEs. Crown Copyright (C) 2013 Published by Elsevier Ltd. All rights reserved.

Partial delamination modeling in composite beams using a finite element method

A new method of modeling partial delamination in composite beams is proposed and implemented using the finite element method. Homogenized cross-sectional stiffness of the delaminated beam is obtained by the proposed analytical technique, including extension-bending, extension-twist and torsion-bending coupling terms, and hence can be used with an existing finite element method. A two noded C1 type Timoshenko beam element with 4 degrees of freedom per node for dynamic analysis of beams is implemented. The results for different delamination scenarios and beams subjected to different boundary conditions are validated with available experimental results in the literature and/or with the 3D finite element simulation using COMSOL. Results of the first torsional mode frequency for the partially delaminated beam are validated with the COMSOL results. The key point of the proposed model is that partial delamination in beams can be analyzed using a beam model, rather than using 3D or plate models. (c) 2013 Elsevier B.V. All rights reserved.

On interference alignment for symmetrically connected interference networks with line of sight channels at finite powers

In this work, interference alignment for a class of Gaussian interference networks with general message demands, having line of sight (LOS) channels, at finite powers is considered. We assume that each transmitter has one independent message to be transmitted and the propagation delays are uniformly distributed between 0 and (L - 1) (L >; 0). If receiver-j, j ∈{1,2,..., J}, requires the message of transmitter-i, i ∈ {1, 2, ..., K}, we say (i, j) belongs to a connection. A class of interference networks called the symmetrically connected interference network is defined as a network where, the number of connections required at each transmitter-i is equal to ct for all i and the number of connections required at each receiver-j is equal to cr for all j, for some fixed positive integers ct and cr. For such networks with a LOS channel between every transmitter and every receiver, we show that an expected sum-spectral efficiency (in bits/sec/Hz) of at least K/(e+c1-1)(ct+1) (ct/ct+1)ct log2 (1+min(i, j)∈c|hi, j|2 P/WN0) can be achieved as the number of transmitters and receivers tend to infinity, i.e., K, J →∞ where, C denotes the set of all connections, hij is the channel gain between transmitter-i and receiver-j, P is the average power constraint at each transmitter, W is the bandwidth and N0 W is the variance of Gaussian noise at each receiver. This means that, for an LOS symmetrically connected interference network, at any finite power, the total spectral efficiency can grow linearly with K as K, J →∞. This is achieved by extending the time domain interference alignment scheme proposed by Grokop et al. for the k-user Gaussian interference channel to interference networks.

Strong-coupling expansion for ultracold bosons in an optical lattice at finite temperatures in the presence of superfluidity

We develop a strong-coupling (t << U) expansion technique for calculating the density profile for bosonic atoms trapped in an optical lattice with an overall harmonic trap at finite temperature and finite on-site interaction in the presence of superfluid regions. Our results match well with quantum Monte Carlo simulations at finite temperature. We also show that the superfluid order parameter never vanishes in the trap due to the proximity effect. Our calculations for the scaled density in the vacuum-to-superfluid transition agree well with the experimental data for appropriate temperatures. We present calculations for the entropy per particle as a function of temperature which can be used to calibrate the temperature in experiments. We also discuss issues connected with the demonstration of universal quantum critical scaling in the experiments.

Full-rate full-diversity finite feedback space-time schemes with minimum feedback and transmission duration

A Finite Feedback Scheme (FFS) for a quasi-static MIMO block fading channel with finite N-ary delay-free noise-free feedback consists of N Space-Time Block Codes (STBCs) at the transmitter, one corresponding to each possible value of feedback, and a function at the receiver that generates N-ary feedback. A number of FFSs are available in the literature that provably attain full-diversity. However, there is no known full-diversity criterion that universally applies to all FFSs. In this paper a universal necessary condition for any FFS to achieve full-diversity is given, and based on this criterion the notion of Feedback-Transmission duration optimal (FT-optimal) FFSs is introduced, which are schemes that use minimum amount of feedback N for the given transmission duration T, and minimum T for the given N to achieve full-diversity. When there is no feedback (N = 1) an FT-optimal scheme consists of a single STBC, and the proposed condition reduces to the well known necessary and sufficient condition for an STBC to achieve full-diversity. Also, a sufficient criterion for full-diversity is given for FFSs in which the component STBC yielding the largest minimum Euclidean distance is chosen, using which full-rate (N-t complex symbols per channel use) full-diversity FT-optimal schemes are constructed for all N-t > 1. These are the first full-rate full-diversity FFSs reported in the literature for T < N-t. Simulation results show that the new schemes have the best error performance among all known FFSs.

Achievable rate region of gaussian broadcast channel with finite input alphabet and quantized output

In this paper, we study the achievable rate region of two-user Gaussian broadcast channel (GBC) when the messages to be transmitted to both the users take values from finite signal sets and the received signal is quantized at both the users. We refer to this channel as quantized broadcast channel (QBC). We first observe that the capacity region defined for a GBC does not carry over as such to QBC. Also, we show that the optimal decoding scheme for GBC (i.e., high SNR user doing successive decoding and low SNR user decoding its message alone) is not optimal for QBC. We then propose an achievable rate region for QBC based on two different schemes. We present achievable rate region results for the case of uniform quantization at the receivers. We find that rotation of one of the user's input alphabet with respect to the other user's alphabet marginally enlarges the achievable rate region of QBC when almost equal powers are allotted to both the users.

Low formation energy and kinetic barrier of Stone-Wales defect in infinite and finite silicene

Stone-Wales (SW) defects in materials having hexagonal lattice are the most common topological defects that affect the electronic and mechanical properties. Using first principles density functional theory based calculations, we study the formation energy and kinetic barrier of SW-defect in infinite and finite sheets of silicene. The formation energies as well as the barriers in both the cases are significantly lower than those of graphene. Furthermore, compared with the infinite sheets, the energy barriers and formation energies are lower for finite sheets. However, due to low barriers these defects are expected to heal out of the finite sheets. (C) 2013 Elsevier B.V. All rights reserved.

Prediction of the stiffness of nanoclay-polypropylene composites using a monte carlo finite element analysis approach

The present work deals with the prediction of stiffness of an Indian nanoclay-reinforced polypropylene composite (that can be termed as a nanocomposite) using a Monte Carlo finite element analysis (FEA) technique. Nanocomposite samples are at first prepared in the laboratory using a torque rheometer for achieving desirable dispersion of nanoclay during master batch preparation followed up with extrusion for the fabrication of tensile test dog-bone specimens. It has been observed through SEM (scanning electron microscopy) images of the prepared nanocomposite containing a given percentage (3–9% by weight) of the considered nanoclay that nanoclay platelets tend to remain in clusters. By ascertaining the average size of these nanoclay clusters from the images mentioned, a planar finite element model is created in which nanoclay groups and polymer matrix are modeled as separate entities assuming a given homogeneous distribution of the nanoclay clusters. Using a Monte Carlo simulation procedure, the distribution of nanoclay is varied randomly in an automated manner in a commercial FEA code, and virtual tensile tests are performed for computing the linear stiffness for each case. Values of computed stiffness modulus of highest frequency for nanocomposites with different nanoclay contents correspond well with the experimentally obtained measures of stiffness establishing the effectiveness of the present approach for further applications.

Vertical uplift resistance of two closely spaced horizontal strip anchors embedded in cohesive-frictional weightless medium

The vertical uplift resistance of two closely spaced horizontal strip plate anchors has been investigated by using lower and upper bound theorems of the limit analysis in combination with finite elements and linear optimization. The interference effect on uplift resistance of the two anchors is evaluated in terms of a nondimensional efficiency factor (eta(c)). The variation of eta(c) with changes in the clear spacing (S) between the two anchors has been established for different combinations of embedment ratio (H/B) and angle of internal friction of the soil (phi). An interference of the anchors leads to a continuous reduction in uplift resistance with a decrease in spacing between the anchors. The uplift resistance becomes a minimum when the two anchors are placed next to each other without any gap. The critical spacing (S-cr) between the two anchors required to eliminate the interference effect increases with an increase in the values of both H/B and phi. The value of S-cr was found to lie approximately in the range 0.65B-1.5B with H/B = 1 and 11B-14B with H/B = 7 for phi varying from 0 degrees to 30 degrees.

Evolution of Nanocrystalline Ba2NaNb5O15 in 2BaO-0.5Na(2)O-2.5Nb(2)O(5)-4.5B(2)O(3) Glass System and Its Refractive Index and Band Gap Tunability

Monophasic Ba2NaNb5O15 was crystallized at nanometer scale (12-36 nm) in 2BaO-0.5Na(2)O-2.5Nb(2)O(5)- 4.5B(2)O(3) glass system. To begin with, optically transparent glasses, in this system, were fabricated via the conventional melt. quenching technique. The amorphous and glassy characteristics of the as-quenched samples were respectively confirmed by X-ray powder diffraction and differential thermal analyses. Nearly homogeneous distribution of Ba2NaNb5O15 (BNN) nanocrystals associated with tungsten bronze structure akin to their bulk parent structure was accomplished by subjecting the as-fabricated glasses to appropriate heat-treatment temperatures. Indeed transmission electron microscopy (TEM) carried out on these samples corroborated the presence of Ba2NaNb5O15 nanocrystals dispersed in a continuous glass matrix. The as-quenched glasses were similar to 75% transparent in the visible range of the electromagnetic spectrum. The optical band gap and refractive index were found to have crystallite size (at nanoscale) dependence. The optical band gap increased with the decrease in crystallite size. The refractive indices of the glass nanocrystal composites as determined by Brewster angle method were rationalized using different empirical models. The refractive index dispersion with wavelength of light was analyzed on the basis of the Sellmeier relations. At room temperature under UV excitation (355 nm) these glass nanocrystal composites displayed violet-blue emission which was ascribed to the defects states.

Upper bound solution for pullout capacity of vertical anchors in sand using finite elements and limit analysis

The horizontal pullout capacity of vertical anchors embedded in sand has been determined by using an upper bound theorem of the limit analysis in combination with finite elements. The numerical results are presented in nondimensional form to determine the pullout resistance for various combinations of embedment ratio of the anchor (H/B), internal friction angle (ϕ) of sand, and the anchor-soil interface friction angle (δ). The pullout resistance increases with increases in the values of embedment ratio, friction angle of sand and anchor-soil interface friction angle. As compared to earlier reported solutions in literature, the present solution provides a better upper bound on the ultimate collapse load.

Finite-temperature dynamics of vortices in Bose-Einstein condensates

We study the dynamics of a single vortex and a pair of vortices in quasi two-dimensional Bose-Einstein condensates at finite temperatures. To this end, we use the stochastic Gross-Pitaevskii equation, which is the Langevin equation for the Bose-Einstein condensate. For a pair of vortices, we study the dynamics of both the vortex-vortex and vortex-antivortex pairs, which are generated by rotating the trap and moving the Gaussian obstacle potential, respectively. Due to thermal fluctuations, the constituent vortices are not symmetrically generated with respect to each other at finite temperatures. This initial asymmetry coupled with the presence of random thermal fluctuations in the system can lead to different decay rates for the component vortices of the pair, especially in the case of two corotating vortices.