N-H center dot center dot center dot F hydrogen bonds in fluorinated benzanilides: NMR and DFT study

Using F-19 and H-1-NMR (with N-14 decoupling) spectroscopic techniques together with density functional theoretical (DFT) calculations, we have investigated weak molecular interactions in isomeric fluorinated benzanilides. Simultaneous presence of through space nuclear spin-spin couplings ((1h)J(N-H center dot center dot center dot F)) of diverse strengths and feeble structural fluctuations are detected as a function of site specific substitution of fluorine atoms within the basic identical molecular framework. The transfer of hydrogen bonding interaction energies through space is established by perturbing their strengths and monitoring the effect on NMR parameters. Multiple quantum (MQ) excitation, up to the highest possible MQ orders of coupled protons, is utilized as a tool for accurate H-1 assignments. Results of NMR studies and DFT calculations are compared with the relevant structural parameters taken from single crystal X-ray diffraction studies.

Hopping and non-hopping localized ionic motion: β-AgI and β-Ag3SI

In β-AgI and β-Ag3SI the ionic conductivity has been measured at frequencies from 1kHz to 2.6 GHz and from 10 MHz to 10 THz, respectively. In both phases we observe a conductivity increase of some orders of magnitude, due to localized types of motion of the silver ions. In β-AgI the increase is found at about 1 MHz and reflects cooperative back-and-forth hopping processes between adjacent tetrahedral sites. In β-Ag3SI the phenomenon occurs at microwave frequencies. Here it is caused by a non-hopping, non-periodic localized Ag+-motion within shallow potentials.

Temperature-dependent chirped coherent phonon dynamics in Bi2Te3 using high-intensity femtosecond laser pulses

Degenerate pump-probe reflectivity experiments have been performed on a single crystal of bismuth telluride (Bi2Te3) as a function of sample temperature (3 K to 296 K) and pump intensity using similar to 50 femtosecond laser pulses with central photon energy of 1.57 eV. The time-resolved reflectivity data show two coherently generated totally symmetric A(1g) modes at 1.85 THz and 3.6 THz at 296 K which blue-shift to 1.9 THz and 4.02 THz, respectively, at 3 K. At high photoexcited carrier density of similar to 1.7 x 10(21) cm(-3), the phonon mode at 4.02 THz is two orders of magnitude higher positively chirped (i.e the phonon time period decreases with increasing delay time between the pump and the probe pulses) than the lower-frequency mode at 1.9 THz. The chirp parameter, beta is shown to be inversely varying with temperature. The time evolution of these modes is studied using continuous-wavelet transform of the time-resolved reflectivity data. Copyright (C) EPLA, 2010

Enhanced ionic conductivity in nano-composite solid polymer electrolyte: (PEG) (x) LiBr: y(SiO2)

In this paper, we report an enhancement in ionic conductivity in a new nano-composite solid polymer electrolyte namely, (PEG) (x) LiBr: y(SiO2). The samples were prepared, characterized, and investigated by XRD, IR, NMR, and impedance spectroscopy. Conductivity as a function of salt concentration shows a double peak. Five weight percent addition of silica nanoparticles increases the ionic conductivity by two orders of magnitude. Conductivity exhibits an Arrhenius type dependence on temperature. IR study has shown that the existence of nanoparticles in the vicinity of terminal OaEuro center dot H group results in a shift in IR absorption frequency and increase in amplitude of vibration of the terminal OaEuro center dot H group. This might lead to an enhancement in conductivity due to increased segmental motion of the polymer. Li-7 NMR spectroscopic studies also seem to support this. Thus addition of nanoparticle inert fillers still seems to be a promising technique to enhance the ionic conductivity in solid polymer electrolytes.

Calcium ionophore, A23187 and its amino acid complexes: spectroscopic and molecular modeling studies.

The circular dichroism, fluorescence, Nuclear Magnetic Resonance and BLM conductance studies indicate that A23187 forms a stable complex with amino acids at low ionophore concentrations (<10(-4)M). However, A23187 prefers to be in a dimeric structure with no significant binding to amino acids, at concentrations higher than 10(-4)M. It was also observed that at lower concentrations, at which the amino acids bind to the ionophore, the affinity for calcium ions was several orders of magnitude lower than that at higher ionophore concentrations. We have also conducted molecular modeling studies to examine the structure of the A23187 dimer and its amino acid complexes. The results of these modeling studies strongly support our experimental results and validate the formation of a hydrogen bonded and energetically stable A23187 dimer and its amino acid complexes.

Fatigue crack growth under an eqivalent falstaff spectrum

Optical fractography was used to estimate growth of small cracks at notches under programmed FALSTAFF loading in an Al-Cu alloy. Crack sizes as low as 25 microns and growth rates over two orders of magnitude could be resolved using this technique. Randomized MiniFALSTAFF load sequence was modified into a programmed load equivalent with major loads either preceding or following marker loads. Crack growth rate under programmed FALSTAFF spectrum as estimated by optical fractography conformed to compliance based estimates on a SE(T) specimen. Long crack growth rates under programmed and randomized MiniFALSTAFF spectrum were essentially similar. Spectrum load fatigue crack growth was studied in central hole coupons under notch inelastic conditions. Scatter in growth rates for small notch cracks was found to be of the same magnitude as that of long cracks. Multiple fatigue cracks are observed at the notch root, and they appear to influence each other.

Discontinuous shear thickening in confined dilute carbon nanotube suspensions

A monotonic decrease in viscosity with increasing shear stress is a known rheological response to shear flow in complex fluids in general and for flocculated suspensions in particular. Here we demonstrate a discontinuous shear-thickening transition on varying shear stress where the viscosity jumps sharply by four to six orders of magnitude in flocculated suspensions of multiwalled carbon nanotubes (MWNT) at very low weight fractions (approximately 0.5%). Rheooptical observations reveal the shear-thickened state as a percolated structure of MWNT flocs spanning the system size. We present a dynamic phase diagram of the non-Brownian MWNT dispersions revealing a starting jammed state followed by shear-thinning and shear-thickened states. The present study further suggests that the shear-thickened state obtained as a function of shear stress is likely to be a generic feature of fractal clusters under flow, albeit under confinement. An understanding of the shear-thickening phenomena in confined geometries is pertinent for flow-controlled fabrication techniques in enhancing the mechanical strength and transport properties of thin films and wires of nanostructured composites as well as in lubrication issues.

Reinforcement Learning With Function Approximation for Traffic Signal Control

We propose, for the first time, a reinforcement learning (RL) algorithm with function approximation for traffic signal control. Our algorithm incorporates state-action features and is easily implementable in high-dimensional settings. Prior work, e. g., the work of Abdulhai et al., on the application of RL to traffic signal control requires full-state representations and cannot be implemented, even in moderate-sized road networks, because the computational complexity exponentially grows in the numbers of lanes and junctions. We tackle this problem of the curse of dimensionality by effectively using feature-based state representations that use a broad characterization of the level of congestion as low, medium, or high. One advantage of our algorithm is that, unlike prior work based on RL, it does not require precise information on queue lengths and elapsed times at each lane but instead works with the aforementioned described features. The number of features that our algorithm requires is linear to the number of signaled lanes, thereby leading to several orders of magnitude reduction in the computational complexity. We perform implementations of our algorithm on various settings and show performance comparisons with other algorithms in the literature, including the works of Abdulhai et al. and Cools et al., as well as the fixed-timing and the longest queue algorithms. For comparison, we also develop an RL algorithm that uses full-state representation and incorporates prioritization of traffic, unlike the work of Abdulhai et al. We observe that our algorithm outperforms all the other algorithms on all the road network settings that we consider.

Bounds on fourth generation induced lepton flavour violating double insertions in supersymmetry

We derive bounds on leptonic double mass insertions of the type delta(l)(i4)delta(l)(4j) in four generational MSSM, using the present limits on l(i) -> l(j) + gamma. Two main features distinguish the rates of these processes in MSSM4 from MSSM3: (a) tan beta is restricted to be very small less than or similar to 3 and (b) the large masses for the fourth generation leptons. In spite of small tan beta, there is an enhancement in amplitudes with LLRR (4 delta(ll)(i4)delta(rr)(4j)) type insertions which pick up the mass of the fourth generation lepton, m(tau'). We find these bounds to be at least two orders of magnitude more stringent than those in MSSM3. (C) 2011 Elsevier B.V. All rights reserved.

A fast algorithm for finding frequent episodes in event streams

Frequent episode discovery is a popular framework for mining data available as a long sequence of events. An episode is essentially a short ordered sequence of event types and the frequency of an episode is some suitable measure of how often the episode occurs in the data sequence. Recently,we proposed a new frequency measure for episodes based on the notion of non-overlapped occurrences of episodes in the event sequence, and showed that, such a definition, in addition to yielding computationally efficient algorithms, has some important theoretical properties in connecting frequent episode discovery with HMM learning. This paper presents some new algorithms for frequent episode discovery under this non-overlapped occurrences-based frequency definition. The algorithms presented here are better (by a factor of N, where N denotes the size of episodes being discovered) in terms of both time and space complexities when compared to existing methods for frequent episode discovery. We show through some simulation experiments, that our algorithms are very efficient. The new algorithms presented here have arguably the least possible orders of spaceand time complexities for the task of frequent episode discovery.

On Pushing Multilingual Query Operators into Relational Engines

To effectively support today’s global economy, database systems need to manage data in multiple languages simultaneously. While current database systems do support the storage and management of multilingual data, they are not capable of querying across different natural languages. To address this lacuna, we have recently proposed two cross-lingual functionalities, LexEQUAL[13] and SemEQUAL[14], for matching multilingual names and concepts, respectively. In this paper, we investigate the native implementation of these multilingual functionalities as first-class operators on relational engines. Specifically, we propose a new multilingual storage datatype, and an associated algebra of the multilingual operators on this datatype. These components have been successfully implemented in the PostgreSQL database system, including integration of the algebra with the query optimizer and inclusion of a metric index in the access layer. Our experiments demonstrate that the performance of the native implementation is up to two orders-of-magnitude faster than the corresponding outsidethe- server implementation. Further, these multilingual additions do not adversely impact the existing functionality and performance. To the best of our knowledge, our prototype represents the first practical implementation of a crosslingual database query engine.

Laser‐Induced Turbulence

In a recent experiment on laser beam transmission through an absorbing gas, the critical Reynold's number for the flow, induced by the heating of the gas, to become turbulent was found to be less than 30, which is many orders of magnitude smaller than that for pure shear flow in pipes. It is shown here that a Rayleigh number is the more appropriate criterion to characterize the stability of flow in this situation, and its value estimated in two limiting cases is found to bracket the expected critical Rayleigh number for vertical concentric cylinders.

Improved ferroelectric and leakage properties in symmetric BiFeO3/SrTiO3 superlattice

Symmetric BiFeO3/SrTiO3 superlattices were fabricated by pulsed laser deposition on SrTiO3 (100) substrates. Frequency independent and near saturated P-E hysteresis was observed in the case of a superlattice (periodicity of ∼ 11 nm) as compared to leaky hysteresis observed in epitaxial BiFeO3. Room temperature leakage current density of the superlattice was almost two orders of magnitude lower than that of BiFeO3. Observed leakage current behavior in case of both BiFeO3 and superlattice indicates the dominance of space charge limited conduction. Improvement in ferroelectric property was discussed in connection to enhanced epitaxial strain, reduced leakage current, and electrostatic interaction between BiFeO3 and SrTiO3.

Group Actions and Elementary Number Theory

Abstract | In this article the shuffling of cards is studied by using the concept of a group action. We use some fundamental results in Elementary Number Theory to obtain formulas for the orders of some special shufflings, namely the Faro and Monge shufflings and give necessary and sufficient conditions for the Monge shuffling to be a cycle. In the final section we extend the considerations to the shuffling of multisets.

Transition due to base roughness in a dense granular flow down an inclined plane

Particle simulations based on the discrete element method are used to examine the effect of base roughness on the granular flow down an inclined plane. The base is composed of a random configuration of fixed particles, and the base roughness is decreased by decreasing the ratio of diameters of the base and moving particles. A discontinuous transition from a disordered to an ordered flow state is observed when the ratio of diameters of base and moving particles is decreased below a critical value. The ordered flowing state consists of hexagonally close packed layers of particles sliding over each other. The ordered state is denser (higher volume fraction) and has a lower coordination number than the disordered state, and there are discontinuous changes in both the volume fraction and the coordination number at transition. The Bagnold law, which states that the stress is proportional to the square of the strain rate, is valid in both states. However, the Bagnold coefficients in the ordered flowing state are lower, by more than two orders of magnitude, in comparison to those of the disordered state. The critical ratio of base and moving particle diameters is independent of the angle of inclination, and varies very little when the height of the flowing layer is doubled from about 35 to about 70 particle diameters. While flow in the disordered state ceases when the angle of inclination decreases below 20 degrees, there is flow in the ordered state at lower angles of inclination upto 14 degrees. (C) 2012 American Institute of Physics. http://dx.doi.org/10.1063/1.4710543]