Compressive membrane action in composite floor slabs in the Cardington LBTF

This paper presents the results of an experimental study (the ultimate load capacity of composite metal decking/concrete floor slabs. Full-scale in situ testing of composite floor slabs was carried out in the Building Research Establishment's Large Building Test Facility (LBTF) at Cardington. A parallel laboratory test programme, which compared the behaviour of composite floor slabs strips, also carried out at Queen's University Belfast (QUB). Articular attention was paid to the contribution of compressive membrane action to the load carrying capacity. The results of both test programmes were compared with predictions by yield line theory and a theoretical prediction method in which the amount of horizontal restraint mid be assessed. The full-scale tests clearly demon-wed the significant contribution of compressive membrane effects to the load capacity of interior floor panels with a lesser contribution to edge/corner panels.

Detection of C8H- and Comparison with C8H toward IRC+10216

We report the detection of new transitions of octatetraynyl (C8H) toward the circumstellar envelope IRC +10 216 using data taken with the 100 m Green Bank Telescope (GBT). In addition, we report five features from the Ku, K, and Q bands that have been identified as transitions of the octatetraynyl anion (C8H-). From a rotational temperature diagram and an assumed source size of 30", we find a total C8H column density of 8(3)×10^12 cm-2 and a rotational temperature of ~13 K. From the five detected transitions of C8H-, we find a total C8H- column density of ~2.1×10^12 cm-2 consistent with a rotational temperature of ~34 K for a total C8H/C8H- column density ratio of ~3.8. This observed C8H/C8H- column density ratio is similar to the theoretical prediction of 3.6, while the observed column densities were lower than that predicted by a factor of ~30. This prompted us to reinvestigate the initial conditions of the circumstellar envelope (CSE) model. The new model results are presented, and they more closely match the C8H and C8H- abundances observed with the GBT. Finally, we use the new CSE model results to predict the abundance of decapentaynyl (C10H), and we compare them with the measured upper limit found from the GBT observations.

Analysis of the effect of finite d.c. blocking capacitance and finite d.c. feed inductance on the performance of inverse class-E amplifiers

The first analysis and synthesis equations for the newly introduced inverse Class-E amplifier when operated with a finite d.c. blocking capacitance and a finite d.c.-feed inductance are presented in the paper. Closed-form design equations are derived in order to establish the circuit component values required for optimum synthesis. Excellent agreement between numerical simulation results and theoretical prediction is obtained. It is shown that drain efficiency approaching 100 at a pre-specified output power level can be achieved as zero-current switching and zero-current derivative conditions are simultaneously satisfied. The proposed analysis offers the prospect for realistic MMIC implementation.

Power combining techniques into unbalanced loads for Class-E and inverse Class-E amplifiers

A power combining strategy for Class-E and inverse Class-E amplifiers operating at high frequencies such that they can operate into unbalanced loads is proposed. This power combining method is particularly important for the inverse Class-E amplifier configuration whose single-stage topology is naturally limited for small-to-medium power applications. Design examples for the power combining synthesis of classical Class-E and then inverse Class-E amplifiers with specification 3 V-1.5 W-2.5 GHz are given. For this specification, it is shown that a three-branch combiner has a natural 50 V output impedance. The resulting circuits are simulated within Agilent Advanced Design Systems environment with good agreement to theoretical prediction. Further the performance of the proposed circuits when operated in a Linear amplification using Nonlinear Components transmitter configuration whereby two-branch amplifiers are driven with constant amplitude conjugate input phase signals is investigated.

Wideband measurement of the acoustic impedance of tubular objects

A method is discussed for measuring the acoustic impedance of tubular objects that gives accurate results for a wide range of frequencies. The apparatus that is employed is similar to that used in many previously developed methods; it consists of a cylindrical measurement duct fitted with several microphones, of which two are active in each measurement session, and a driver at one of its ends. The object under study is fitted at the other end. The impedance of the object is determined from the microphone signals obtained during excitation of the air inside the 1 duct by the driver, and from three coefficients that are pre-determined using four calibration measurements with closed cylindrical tubes. The calibration procedure is based on the simple mathematical relationships between the impedances of the calibration tubes, and does not require knowledge of the propagation constant. Measurements with a cylindrical tube yield an estimate of the attenuation constant for plane waves, which is found to differ from the theoretical prediction by less than 1.4% in the frequency range 1 kHz-20 kHz. Impedance measurements of objects with abrupt changes in diameter are found to be in good agreement with multimodal theory.

Power back-off behaviour of high-efficiency power-combining Class-E amplifier

Power back-off performances of the modified power-combining Class-E amplifier under different amplitudemodulation schemes such as envelope elimination and restoration (EER) and envelope tracking (ET) are experimentally assessed in this paper. The modified output load network adopting three-harmonic terminations technique eliminates the need for additional lossy filtering section in the transmitter chain. Small dc-feed inductances rather than massive RF chokes as in the classic Class-E amplifier are used so as to increase the modulation bandwidth and therefore improve the linearity of the EER transmitter. High efficiency over a wide dynamic range using amplitude modulation through drain-voltage control (EER) was achieved and this agrees well with the Class-E theoretical prediction. When the PA was used within the ET scheme, an increase of average drain efficiency of as high as 40% with respect to the CW excitation was obtained for a multi-carrier input signal with 12dB peak-to-average power ratio. © 2011 Institut fur Mikrowellen.

Detection of an artificial target with low radar cross-section in presence of backscatter

This paper presents an approach to improve the detection of an artificial target with low radar cross-section in presence of clutter. The target proposed in the paper modulates the phase response of the circularly polarized incident signal by means of rotation. The same physical phenomenon can be used to steer the modulated response in a non-specular direction. The bi-static measurements of the response of the target have demonstrated good agreement with theoretical prediction as well as with full-wave simulation.

Applying a QSPR correlation to the prediction of surface tensions of ionic liquids

Ionic liquids (ILs) have attracted large amount of interest due to their unique properties. Although large effort has been focused on the investigation of their potential application, characterization of ILs properties and structure–property relationships of ILs are poorly understood. Computer aided molecular design (CAMD) of ionic liquids (ILs) can only be carried if predictive computational methods for the ILs properties are available. The limited availability of experimental data and their quality have been preventing the development of such tools. Based on experimental surface tension data collected from the literature and measured at our laboratory, it is here shown how a quantitative structure–property relationship (QSPR) correlation for parachors can be used along with an estimation method for the densities to predict the surface tensions of ILs. It is shown that a good agreement with literature data is obtained. For circa 40 ionic liquids studied a mean percent deviation (MPD) of 5.75% with a maximum deviation inferior to 16% was observed. A correlation of the surface tensions with the molecular volumes of the ILs was developed for estimation of the surface tensions at room temperature. It is shown that it can describe the experimental data available within a 4.5% deviation. The correlations here developed can thus be used to evaluate the surface tension of ILs for use in process design or in the CAMD of new ionic liquids.

Thermochemistry of Ionic Liquid-Catalyzed Reactions. Experimental and Theoretical Study of Chemical Equilibria of Isomerization and Transalkylation of tert-Butylbenzenes

The chemical equilibrium of mutual interconversions of tert-butylbenzenes was studied in the temperature range 286 to 423 K using chloroaluminate ionic liquids as a catalyst. Enthalpies of five reactions of isomerization and transalkylation of tert-butylbenzenes were obtained from temperature dependences of the corresponding equilibrium constants in the liquid phase. Molar enthalpies of vaporization of methyl-tert-butylbenzenes and 1,4-ditert-butylbenzene were obtained by the transpiration method and were used for a recalculation of enthalpies of reactions and equilibrium constants into the gaseous phase. Using these experimental results, ab initio methods (B3LYP and G3MP2) have been tested for prediction thermodynamic functions of the five reactions under study successfully. Thermochemical investigations of tert-butyl benzenes available in the literature combined with experimental results have helped to resolve contradictions in the available thermochemical data for tert-butylbenzene and to recommend consistent and reliable enthalpies of formation for this compound in the liquid and the gaseous state.

Prediction of the formation and stabilities of energetic salts and ionic liquids based on ab initio electronic structure calculations

A computational approach to predict the thermodynamics for forming a variety of imidazolium-based salts and ionic liquids from typical starting materials is described. The gas-phase proton and methyl cation acidities of several protonating and methylating agents, as well as the proton and methyl cation affinities of many important methyl-, nitro-, and cyano- substituted imidazoles, have been calculated reliably by using the computationally feasible DFT (B3LYP) and MP2 (extrapolated to the complete basis set limit) methods. These accurately calculated proton and methyl cation affinities of neutrals and anions are used in conjunction with an empirical approach based on molecular volumes to estimate the lattice enthalpies and entropies of ionic liquids, organic solids, and organic liquids. These quantities were used to construct a thermodynamic cycle for salt formation to reliably predict the ability to synthesize a variety of salts including ones with potentially high energetic densities. An adjustment of the gas phase thermodynamic cycle to account for solid- and liquid-phase chemistries provides the best overall assessment of salt formation and stability. This has been applied to imidazoles (the cation to be formed) with alkyl, nitro, and cyano substituents. The proton and methyl cation donors studied were as follows: HCl, HBr, HI, (HO)(2)SO2, HSO3CF3 (TfOH), and HSO3(C6H4)CH3 (TsOH); CH3Cl, CH3Br, CH3I, (CH3O)(2)SO2, CH3SO3CF3 (TfOCH3) and CH3SO3(C6H4)CH3 (TsOCH3). As substitution of the cation with electron-withdrawing groups increases, the triflate reagents appear to be the best overall choice as protonating and methylating agents. Even stronger alkylating agents should be considered to enhance the chances of synthetic success. When using the enthalpies of reaction for the gas-phase reactants (eq 6) to form a salt, a cutoff value of - 13 kcal mol(-1) or lower (more negative) should be used as the minimum value for predicting whether a salt can be synthesized.

Ligand and structure-based methodologies for the prediction of the activity of G protein-coupled receptor ligands

Accurate in silico models for the quantitative prediction of the activity of G protein-coupled receptor (GPCR) ligands would greatly facilitate the process of drug discovery and development. Several methodologies have been developed based on the properties of the ligands, the direct study of the receptor-ligand interactions, or a combination of both approaches. Ligand-based three-dimensional quantitative structure-activity relationships (3D-QSAR) techniques, not requiring knowledge of the receptor structure, have been historically the first to be applied to the prediction of the activity of GPCR ligands. They are generally endowed with robustness and good ranking ability; however they are highly dependent on training sets. Structure-based techniques generally do not provide the level of accuracy necessary to yield meaningful rankings when applied to GPCR homology models. However, they are essentially independent from training sets and have a sufficient level of accuracy to allow an effective discrimination between binders and nonbinders, thus qualifying as viable lead discovery tools. The combination of ligand and structure-based methodologies in the form of receptor-based 3D-QSAR and ligand and structure-based consensus models results in robust and accurate quantitative predictions. The contribution of the structure-based component to these combined approaches is expected to become more substantial and effective in the future, as more sophisticated scoring functions are developed and more detailed structural information on GPCRs is gathered.

Residual stress due to curing can initiate damage in porous bone cement: experimental and theoretical evidence

Residual stress due to shrinkage of polymethylmethacrylate bone cement after polymerisation is possibly one factor capable of initiating cracks in the mantle of cemented hip replacements. No relationship between residual stress and observed cracking of cement has yet been demonstrated. To investigate if any relationship exists, a physical model has been developed which allows direct observation of damage in the cement layer on the femoral side of total hip replacement. The model contains medial and lateral cement layers between a bony surface and a metal stem; the tubular nature of the cement mantle is ignored. Five specimens were prepared and examined for cracking using manual tracing of stained cracks, observed by transmission microscopy: cracks were located and measured using image analysis. A mathematical approach for the prediction of residual stress due to shrinkage was developed which uses the thermal history of the material to predict when stress-locking occurs, and estimates subsequent thermal stress. The residual stress distribution of the cement layer in the physical model was then calculated using finite element analysis. Results show maximum tensile stresses normal to the observed crack directions, suggesting a link between residual stress and preload cracking. The residual stress predicted depends strongly on the definition of the reference temperature for stress-locking. The highest residual stresses (4-7 MPa) are predicted for shrinkage from maximum temperature, in this case, magnitudes are sufficiently high to initiate cracks when the influence of stress raisers such as pores or interdigitation at the bone/cement interface are taken into account (up to 24 MPa when calculating stress around a pore according to the method of Harrigan and Harris (J. Biomech. 24(11) (1991) 1047-1058)). We conclude that the damage accumulation failure scenario begins before weight-bearing due to cracking induced by residual stress around pores or stress raisers. (C) 2002 Elsevier Science Ltd. All rights reserved.

Prediction-Based Power-Performance Adaptation of Multithreaded Scientific Codes

Computing has recently reached an inflection point with the introduction of multicore processors. On-chip thread-level parallelism is doubling approximately every other year. Concurrency lends itself naturally to allowing a program to trade performance for power savings by regulating the number of active cores; however, in several domains, users are unwilling to sacrifice performance to save power. We present a prediction model for identifying energy-efficient operating points of concurrency in well-tuned multithreaded scientific applications and a runtime system that uses live program analysis to optimize applications dynamically. We describe a dynamic phase-aware performance prediction model that combines multivariate regression techniques with runtime analysis of data collected from hardware event counters to locate optimal operating points of concurrency. Using our model, we develop a prediction-driven phase-aware runtime optimization scheme that throttles concurrency so that power consumption can be reduced and performance can be set at the knee of the scalability curve of each program phase. The use of prediction reduces the overhead of searching the optimization space while achieving near-optimal performance and power savings. A thorough evaluation of our approach shows a reduction in power consumption of 10.8 percent, simultaneous with an improvement in performance of 17.9 percent, resulting in energy savings of 26.7 percent.

Low pressure carbon dioxide solubility in pure electrolyte solvents for lithium-ion batteries as a function of temperature. Measurement and prediction

Experimental values for the carbon dioxide solubility in eight pure electrolyte solvents for lithium ion batteries – such as ethylene carbonate (EC), propylene carbonate (PC), dimethyl carbonate (DMC), ethyl methyl carbonate (EMC), diethyl carbonate (DEC), ?-butyrolactone (?BL), ethyl acetate (EA) and methyl propionate (MP) – are reported as a function of temperature from (283 to 353) K and atmospheric pressure. Based on experimental solubility data, the Henry’s law constant of the carbon dioxide in these solvents was then deduced and compared with reported values from the literature, as well as with those predicted by using COSMO-RS methodology within COSMOthermX software and those calculated by the Peng–Robinson equation of state implemented into Aspen plus. From this work, it appears that the CO2 solubility is higher in linear carbonates (such as DMC, EMC, DEC) than in cyclic ones (EC, PC, ?BL). Furthermore, the highest CO2 solubility was obtained in MP and EA solvents, which are comparable to the solubility values reported in classical ionicliquids. The precision and accuracy of the experimental values, considered as the per cent of the relative average absolute deviations of the Henry’s law constants from appropriate smoothing equations and from literature values, are close to (1% and 15%), respectively. From the variation of the Henry’s law constants with temperature, the partial molar thermodynamic functions of dissolution such as the standard Gibbs free energy, the enthalpy, and the entropy are calculated, as well as the mixing enthalpy of the solvent with CO2 in its hypothetical liquid state.

Low pressure carbon dioxide solubility in lithium-ion batteries based electrolytes as a function of temperature. Measurement and prediction

We present in this study the effect of nature and concentration of lithium salt, such as the lithium hexafluorophosphate, LiPF6; lithium tris(pentafluoroethane)-trifluorurophosphate LiFAP; lithium bis(trifluoromethylsulfonyl)imide, LiTFSI, on the CO2 solubility in four electrolytes for lithium ion batteries based on pure solvent that include ethylene carbonate (EC), dimethyl carbonate (DMC), ethyl methyl carbonate (EMC), diethyl carbonate (DEC), as well as, in the EC:DMC, EC:EMC and EC:DEC (50:50) wt.% binary mixtures as a function of temperature from (283 to 353) K and atmospheric pressure. Based on experimental solubility values, the Henry’s law constant of the carbon dioxide in these solutions with the presence or absence of lithium salt was then deduced and compared with reported values from the literature, as well as with those predicted by using COSMO-RS methodology within COSMOThermX software. From this study, it appears that the addition of 1 mol · dm-3 LiPF6 salt in alkylcarbonate solvents decreases their CO2 capture capacity. By using the same experimental conditions, an opposite CO2 solubility trend was generally observed in the case of the addition of LiFAP or LiTFSI salts in these solutions. Additionally, in all solutions investigated during this work, the CO2 solubility is greater in electrolytes containing the LiFAP salt, followed by those based on the LiTFSI case. The precision and accuracy of the experimental data reported therein, which are close to (1 and 15)%, respectively. From the variation of the Henry’s law constant with temperature, the partial molar thermodynamic functions of dissolution such as the standard Gibbs energy, the enthalpy, and the entropy, as well as the mixing enthalpy of the solvent with CO2 in its hypothetical liquid state were calculated. Finally, a quantitative analysis of the CO2 solubility evolution was carried out in the EC:DMC (50:50) wt.% binary mixture as the function of the LiPF6 or LiTFSI concentration in solution to elucidate how ionic species modify the CO2 solubility in alkylcarbonates-based Li-ion electrolytes by investigating the salting effects at T = 298.15 K and atmospheric pressure.