Damping of Sands for Varying Saturation

A series of resonant column tests have been performed in the torsional mode of vibration to assess the effect of saturation, starting from the near dry state to the fully saturated state, on the damping ratio of sands corresponding to the threshold strain level. Tests were carried out on three different gradations of sand for various combinations of relative density and effective confining pressure. For fine sands, a certain optimum degree of saturation exists at which the damping ratio minimizes; it is known that a decrease in Sr from a fully saturated state leads to a continuous increase in the matric suction. With an increase in the relative density, the optimum degree of saturation for fine sand increases marginally from 1.38 to 1.49%, but does not show any dependency on the effective confining pressure. In contrast, the minimum values of the damping ratio for medium and coarse sands are found to always correspond to the near dry state. The damping ratio decreases continuously with increases in relative density and effective confining pressure. The threshold strain level has been found to decrease continuously with increases in relative density and effective confining pressure. (C) 2013 American Society of Civil Engineers.

STOKES' SYSTEM IN A DOMAIN WITH OSCILLATING BOUNDARY: HOMOGENIZATION AND ERROR ANALYSIS OF AN INTERIOR OPTIMAL CONTROL PROBLEM

Homogenization and error analysis of an optimal interior control problem in the framework of Stokes' system, on a domain with rapidly oscillating boundary, are the subject matters of this article. We consider a three dimensional domain constituted of a parallelepiped with a large number of rectangular cylinders at the top of it. An interior control is applied in a proper subdomain of the parallelepiped, away from the oscillating volume. We consider two types of functionals, namely a functional involving the L-2-norm of the state variable and another one involving its H-1-norm. The asymptotic analysis of optimality systems for both cases, when the cross sectional area of the rectangular cylinders tends to zero, is done here. Our major contribution is to derive error estimates for the state, the co-state and the associated pressures, in appropriate functional spaces.

A Donor-Acceptor-Donor Structured Organic Conductor with S center dot center dot center dot S Chalcogen Bonding

A novel thiophene derivative 7,9-di(thiophen-2-yl)-8H-cyclopentaa]acenaphthylen-8-one (DTCPA) is shown to exhibit high electrical conductivity (1.97 x 10(-2) +/- 0.0018 S/cm at RT) in the crystalline state. The material shows two orders of increase in conductivity from normal solid to single crystalline state. The crystal structure has S center dot center dot center dot S chalcogen bonding, C-H center dot center dot center dot O hydrogen bonding, and pi center dot center dot center dot pi stacking as the major intermolecular interactions. The nature and strength of the S center dot center dot center dot S interactions in this structure have been evaluated by theoretical charge density analysis, and its contribution to the crystal packing quantified by Hirshfeld surface analysis. Further, thermal and morphological characterizations have been carried out, and the second harmonic generation (SHG) efficiency has been measured using the Kurtz-Perry method.

Constraining gravity using entanglement in AdS/CFT

We investigate constraints imposed by entanglement on gravity in the context of holography. First, by demanding that relative entropy is positive and using the Ryu-Takayanagi entropy functional, we find certain constraints at a nonlinear level for the dual gravity. Second, by considering Gauss-Bonnet gravity, we show that for a class of small perturbations around the vacuum state, the positivity of the two point function of the field theory stress tensor guarantees the positivity of the relative entropy. Further, if we impose that the entangling surface closes off smoothly in the bulk interior, we find restrictions on the coupling constant in Gauss-Bonnet gravity. We also give an example of an anisotropic excited state in an unstable phase with broken conformal invariance which leads to a negative relative entropy.

Correlation between thermodynamic anomalies and pathways of ice nucleation in supercooled water

The well-known classical nucleation theory (CNT) for the free energy barrier towards formation of a nucleus of critical size of the new stable phase within the parent metastable phase fails to take into account the influence of other metastable phases having density/order intermediate between the parent metastable phase and the final stable phase. This lacuna can be more serious than capillary approximation or spherical shape assumption made in CNT. This issue is particularly significant in ice nucleation because liquid water shows rich phase diagram consisting of two (high and low density) liquid phases in supercooled state. The explanations of thermodynamic and dynamic anomalies of supercooled water often invoke the possible influence of a liquid-liquid transition between two metastable liquid phases. To investigate both the role of thermodynamic anomalies and presence of distinct metastable liquid phases in supercooled water on ice nucleation, we employ density functional theoretical approach to find nucleation free energy barrier in different regions of phase diagram. The theory makes a number of striking predictions, such as a dramatic lowering of nucleation barrier due to presence of a metastable intermediate phase and crossover in the dependence of free energy barrier on temperature near liquid-liquid critical point. These predictions can be tested by computer simulations as well as by controlled experiments. (C) 2014 AIP Publishing LLC.

Iodo( trisyl) sulfane: Reactivity of a Stable Alkanesulfenyl Iodide towards Antithyroid Drugs

Iodination of tris(trimethylsilyl)methanethiol (trisylthiol, TsiSH) in tetrahydrofuran provides the new thermally stable alkanesulfenyl iodide iodo(trisyl)sulfane, TsiSI] as a violet solid. Iodo(trisyl)sulfane exhibits iodine-iodine contacts between pairs of TsiSI molecules in the solid state. Properties of TsiSI were studied by vibrational spectroscopy and with the help of density functional calculations. TsiSI reacts in the presence of triethylamine with the antithyroid drugs 6-n-propyl- and 6-methylthiouracil (PTU, MTU) and with N-methylmethimazole (MMI) to form unsymmetric disulfides that were investigated by means of X-ray crystallography. In the solid state, the PTU and MTU derivatives exist as hydrogen-bonded centrosymmetric dimers, whereas the MMI-derived disulfide is an unsymmetric monomer.

A Stochastic Chemical Dynamic Approach to Correlate Autoimmunity and Optimal Vitamin-D Range

Motivated by several recent experimental observations that vitamin-D could interact with antigen presenting cells (APCs) and T-lymphocyte cells (T-cells) to promote and to regulate different stages of immune response, we developed a coarse grained but general kinetic model in an attempt to capture the role of vitamin-D in immunomodulatory responses. Our kinetic model, developed using the ideas of chemical network theory, leads to a system of nine coupled equations that we solve both by direct and by stochastic (Gillespie) methods. Both the analyses consistently provide detail information on the dependence of immune response to the variation of critical rate parameters. We find that although vitamin-D plays a negligible role in the initial immune response, it exerts a profound influence in the long term, especially in helping the system to achieve a new, stable steady state. The study explores the role of vitamin-D in preserving an observed bistability in the phase diagram (spanned by system parameters) of immune regulation, thus allowing the response to tolerate a wide range of pathogenic stimulation which could help in resisting autoimmune diseases. We also study how vitamin-D affects the time dependent population of dendritic cells that connect between innate and adaptive immune responses. Variations in dose dependent response of anti-inflammatory and pro-inflammatory T-cell populations to vitamin-D correlate well with recent experimental results. Our kinetic model allows for an estimation of the range of optimum level of vitamin-D required for smooth functioning of the immune system and for control of both hyper-regulation and inflammation. Most importantly, the present study reveals that an overdose or toxic level of vitamin-D or any steroid analogue could give rise to too large a tolerant response, leading to an inefficacy in adaptive immune function.

Checking Liveness Properties of Presburger Counter Systems Using Reachability Analysis

Counter systems are a well-known and powerful modeling notation for specifying infinite-state systems. In this paper we target the problem of checking liveness properties in counter systems. We propose two semi decision techniques towards this, both of which return a formula that encodes the set of reachable states of the system that satisfy a given liveness property. A novel aspect of our techniques is that they use reachability analysis techniques, which are well studied in the literature, as black boxes, and are hence able to compute precise answers on a much wider class of systems than previous approaches for the same problem. Secondly, they compute their results by iterative expansion or contraction, and hence permit an approximate solution to be obtained at any point. We state the formal properties of our techniques, and also provide experimental results using standard benchmarks to show the usefulness of our approaches. Finally, we sketch an extension of our liveness checking approach to check general CTL properties.

Hydrophobic hydration driven self-assembly of curcumin in water: Similarities to nucleation and growth under large metastability, and an analysis of water dynamics at heterogeneous surfaces

As the beneficial effects of curcumin have often been reported to be limited to its small concentrations, we have undertaken a study to find the aggregation properties of curcumin in water by varying the number of monomers. Our molecular dynamics simulation results show that the equilibrated structure is always an aggregated state with remarkable structural rearrangements as we vary the number of curcumin monomers from 4 to 16 monomers. We find that the curcumin monomers form clusters in a very definite pattern where they tend to aggregate both in parallel and anti-parallel orientation of the phenyl rings, often seen in the formation of beta-sheet in proteins. A considerable enhancement in the population of parallel alignments is observed with increasing the system size from 12 to 16 curcumin monomers. Due to the prevalence of such parallel alignment for large system size, a more closely packed cluster is formed with maximum number of hydrophobic contacts. We also follow the pathway of cluster growth, in particular the transition from the initial segregated to the final aggregated state. We find the existence of a metastable structural intermediate involving a number of intermediate-sized clusters dispersed in the solution. We have constructed a free energy landscape of aggregation where the metatsable state has been identified. The course of aggregation bears similarity to nucleation and growth in highly metastable state. The final aggregated form remains stable with the total exclusion of water from its sequestered hydrophobic core. We also investigate water structure near the cluster surface along with their orientation. We find that water molecules form a distorted tetrahedral geometry in the 1st solvation layer of the cluster, interacting rather strongly with the hydrophilic groups at the surface of the curcumin. The dynamics of such quasi-bound water molecules near the surface of curcumin cluster is considerably slower than the bulk signifying a restricted motion as often found in protein hydration layer. (C) 2014 AIP Publishing LLC.

A Na/MnO2 Primary Cell Employing Poorly Crystalline MnO2

Presently Li/MnO2 is one of the widely used primary battery for a variety of applications. As the global resources for Na are plentiful in relation to those for Li, Na/MnO2 primary battery is expected to be an economical, viable alternate to Li/MnO2 system. But marginal inferior properties of Na/MnO2, which arise due to the differences in properties between Li and Na, are inevitable. In the present work, Na/MnO2 and Li/MnO2 laboratory scale primary cells in non-aquebus electrolytes are assembled and their electrochemical properties are studied in similar experimental conditions. The MnO2 used for these studies is prepared from KMnO4 and it is in amorphous state. The discharge behavior of Na/MnO2 cell is similar to that of Li/MnO2 cell, but with nominal voltage less by about 0.35 V, as expected. The specific capacity of amorphous MnO2 is 300 mAh g(-1) in both Na/MnO2 and Li/MnO2 cells. On heating the as prepared amorphous MnO2 at temperature range 300-800 degrees C, it converts to crystalline ct-MnO2. The capacity of crystalline MnO2 is significantly less than the amorphous MnO2. The results suggest that Na/MnO2 is a viable, economical alternate to Li/MnO2 primary cell. (C) The Author(s) 2015. Published by ECS. All rights reserved.

Electromechanical Analysis of Tapered Piezoelectric Bimorph at High Electric Field

Piezoelectric bimorph laminar actuator of tapered width exhibits better performance for out-of-plane deflection compared to the rectangular surface area, while consuming equal surface area. This paper contains electromechanical analysis and modeling of a tapered width piezoelectric bimorph laminar actuator at high electric field in static state. The analysis is based on the second order constitutive equations of piezoelectric material, assuming small strain and large electric field to capture its behavior at high electric field. Analytical expressions are developed for block force, output strain energy, output energy density, input electrical energy, capacitance and energy efficiency at high electric field. The analytical expressions show that for fixed length, thickness, and surface area of the actuator, how the block force and output strain energy gets improved in a tapered surface actuator compared to a rectangular surface. Constant thickness, constant length and constant surface area of the actuator ensure constant mass, and constant electrical capacitance. We consider high electric field in both series and parallel electrical connection for the analysis. Part of the analytical results is validated with the experimental results, which are reported in earlier literature.

Fluoranthene derivatives as blue fluorescent materials for non-doped organic light-emitting diodes

In this study, we report synthesis of symmetrically and non-symmetrically functionalized fluoranthene-based blue fluorescent molecular materials for non-doped electroluminescent devices. The solid state structure of these fluorophores has been established by single crystal X-ray diffraction analysis. Furthermore, a detailed experimental and theoretical study has been performed to understand the effect of substitution of symmetric and non-symmetric functional groups on optical, thermal and electrochemical properties of fluoranthene. These materials exhibit a deep blue emission and high PLQY in solution and solid state. The vacuum deposited, non-doped electroluminescent devices with the device structure ITO/NPD (15 nm)/CBP (15 nm)/EML (40 nm)/TPBI (30 nm)/LiF (1 nm)/Al were fabricated and characterized. A systematic shift in the peak position of EL emission was observed from sky blue to bluish-green with EL maxima from 477 nm to 490 nm due to different functional groups on the periphery of fluoranthene. In addition, a high luminance of >= 2000 cd m(-2) and encouraging external quantum efficiency (EQE) of 1.1-1.4% were achieved. A correlation of the molecular structure with device performance has been established.

Response Dynamics of Recirculation Structures in Coaxial Nonpremixed Swirl-Stabilized Flames Subjected to Acoustic Forcing

This paper reports the time-mean and phase-locked response of nonreacting as well as reacting flow field in a coaxial swirling jet/flame (nonpremixed). Two distinct swirl intensities plus two different central pipe flow rates at each swirl setting are investigated. The maximum response is observed at the 105 Hz mode in the range of excitation frequencies (0-315 Hz). The flow/flame exhibited minimal response beyond 300 Hz. It is seen that the aspect ratio change of inner recirculation zone (IRZ) under nonreacting conditions (at responsive modes) manifests as a corresponding increase in the time-mean flame aspect ratio. This is corroborated by similar to 25% decrease in the IRZ transverse width in both flame and cold flow states. In addition, 105 Hz excited states are found to shed high energy regions (eddies) asymmetrically when compared to dormant 315 Hz pulsing frequency. The kinetic energy (KE) of the flow field is subsequently reduced due to acoustic excitation and a corresponding increase (similar to O (1)) in fluctuation intensity is witnessed. The lower swirl intensity case is found to be more responsive than the high swirl case as in the former flow state the resistance offered by IRZ to incoming acoustic perturbations is lower due to inherently low inertia. Next, the phase-locked analysis of flow and flame structure is employed to further investigate the phase dependence of flow/flame response. It is found that the asymmetric shifting of IRZ mainly results at 270 deg acoustic forcing. The 90 deg phase angle forcing is observed to convect the IRZ farther downstream in both swirl cases as compared to other phase angles. The present work aims primarily at providing a fluid dynamic view point to the observed nonpremixed flame response without considering the confinement effects.

Load-Unload Response Ratio and Accelerating Moment/Energy Release Critical Region Scaling and Earthquake Prediction

The main idea of the Load-Unload Response Ratio (LURR) is that when a system is stable, its response to loading corresponds to its response to unloading, whereas when the system is approaching an unstable state, the response to loading and unloading becomes quite different. High LURR values and observations of Accelerating Moment/Energy Release (AMR/AER) prior to large earthquakes have led different research groups to suggest intermediate-term earthquake prediction is possible and imply that the LURR and AMR/AER observations may have a similar physical origin. To study this possibility, we conducted a retrospective examination of several Australian and Chinese earthquakes with magnitudes ranging from 5.0 to 7.9, including Australia's deadly Newcastle earthquake and the devastating Tangshan earthquake. Both LURR values and best-fit power-law time-to-failure functions were computed using data within a range of distances from the epicenter. Like the best-fit power-law fits in AMR/AER, the LURR value was optimal using data within a certain epicentral distance implying a critical region for LURR. Furthermore, LURR critical region size scales with mainshock magnitude and is similar to the AMR/AER critical region size. These results suggest a common physical origin for both the AMR/AER and LURR observations. Further research may provide clues that yield an understanding of this mechanism and help lead to a solid foundation for intermediate-term earthquake prediction.

Vibration of an Adhered Microbeam Under a Periodically Shaking Electrical Force

The vibration analysis of an adhered S-shaped microbeam under alternating sinusoidal voltage is presented. The shaking force is the electrical force due to the sinusoidal voltage. During vibration, both the microbeam deflection and the adhesion length keep changing. The microbeam deflection and adhesion length are numerically determined by the iteration method. As the adhesion length keeps changing, the domain of the equation of motion for the microbeam (unadhered part) changes correspondingly, which results in changes of the structure natural frequencies. For this reason, the system can never reach a steady state. The transient behaviors of the microbeam under different shaking frequencies are compared. We deliberately choose the initial conditions to compare our dynamic results with the existing static theory. The paper also analyzes the changing behavior of adhesion length during vibration and an asymmetric pattern of adhesion length change is revealed, which may be used to guide the dynamic de-adhering process. The abnormal behavior of the adhered microbeam vibrating at almost the same frequency under two quite different shaking frequencies is also shown. The Galerkin method is used to discretize the equation of motion and its convergence study is also presented. The model is only applicable in the case that the peel number is equal to 1. Some other model limitations are also discussed.