Shear Viscosity of Model Mixtures by Nonequilibrium Molecular Dynamics III. Effect of Quadrupolar Interactions

Abstract

We present new results for thermodynamic properties and viscosities of pure quadrupolar fluids, a pure dipolar quadrupolar fluid, nonquadrupolar/quadrupolar mixtures, and quadrupolar/quadrupolar mixtures. It is evident that, the addition of quadrupolar interactions to the pure Ar and the addition of quadrupolar interactions to the pure dipolar Ar, leads to higher viscosities as was observed in the addition of dipolar interactions to the pure Ar [Lee and Cummings, J. Chem. Phys., 105, 2044 (1996)]. The total energies and the mixture densities show a linear dependence for both nonquadrupolar Ar/quadrupolar Kr (case B) and quadrupolar Ar/quadrupolar Kr (case C), and the linearity of case C is better than that of case B. This is not consistent with the idea that in the cases of the dipolar mixtures, dipolar/dipolar and nondipolar/nondipolar mixture are likely to be more ideal than nondipolar/dipolar mixtures. This is mainly due to the weaker interaction of quadrupole-quadrupole than that of dipoledipole.     

Characterization of polyacrylamide-stabilized Pf1 phage liquid crystals for protein NMR spectroscopy

A new polymer-stabilized nematic liquid crystal has been characterized for the measurement of biomolecular residual dipolar couplings. Filamentous Pf1 phage were embedded in a polyacrylamide matrix that fixes the orientation of the particles. The alignment was characterized by the quadrupolar splitting of the ²H NMR water signal and by the measurement of ¹H-¹⁵N residual dipolar couplings (RDC) in the archeal translation elongation factor 1. Protein dissolved in the polymer-stabilized medium orients quantitatively as in media without polyacrylamide. We show that the quadrupolar splitting and RDCs are zero in media in which the Pf1 phage particles are aligned at the magic angle. This allows measurement of J and dipolar couplings in a single sample.     

Impact of Nonuniform Electron Density on Plasmonic Properties of Metal Nanoparticles

The interfacial nonuniformity of the electron density that occurs in metals as a result of atomic imperfections can strongly affect the plasmonic properties of metallic nanostructures. Under certain conditions, it induces the bulk plasmon resonance in the transition area and can significantly change scattering and absorption of light by metallic nanostructures in a broad frequency range. This effect is numerically demonstrated for radially nonuniform spherical silver nanoparticles and analytically investigated with respect to the resonant coupling with the dipolar surface plasmons of the metal core.     

Transpiration, water absorption, and internal water balance of cotton plants as affected by light and changes in saturation deficit

In controlled environment studies of cotton plants (Gossypium barbadense L.) a light-induced acceleration of transpiration upset the water balance established in the dark because of a lag in water absorption. A plant-water deficit could be generated either by sudden illumination at a given saturation deficit (sd) of the air, or by raising the sd in conjunction with illumination, without different effects.

Direct water balance measurements were confirmed in every experiment by beta ray gauge detection of changes in leaf-water content resulting from unequal gain and loss of water by the whole plant.

Recovery from the initial loss of turgidity always was faster and more complete at the higher than at the lower values of sd. Recovery occurred even in the light at the higher values of sd, but was enhanced by return to darkness and a lower sd, which at times resulted in superhydration.

Rehydration in the light could be attributed to at least 2 processes: A) a diminished transpiration rate if earlier water loss was sufficient to induce stomatal closure, and B) an increased rate of water absorption. The data suggest that a water deficit, temporary or persisting, does not cause a significantly lowered transpiration rate; thus, recovery must depend on increased absorption. The communicative link between the 2 processes appears weak, transmitting strong signals only.

     

Plasmon Singularities from Metal Nanoparticles in Active Media: Influence of Particle Shape on the Gain Threshold

Localized surface plasmon singularities from metal nanoparticles in active media are investigated on the basis of classic linear electrodynamics. It is found that the gain threshold is inversely proportional to the shape factor of the particle. When relating this phenomenon to the plasmonic field-enhanced emission from gain units, we show that the maximum electric field around spheroidal particles impacts upon the gain threshold via a two-exponential decay function. Our results provide a way to reduce the gain requirement in metal nanoparticle-based spaser or random laser systems.     

Design Method for Light Absorption Enhancement in Ultra-Thin Film Organic Solar Cells with the Metallic Nanoparticles

In this paper, a method is presented for designing the parameters of metallic nanoparticles introduced into ultra-thin film organic solar cells (OSCs) to improve the light absorption. On the basis of Mie theory, a relationship is setup between the scattering efficiency of localized surface plasmon resonance and the size parameter of metallic nanoparticles, by which metallic nanoparticles with optimal size can be designed to realize the highest ratio of resonant scattering to resonant absorption, thus light absorption enhancement of OSCs is maximized. By taking spherical Ag nanoparticles into an OSC system with an active layer of poly(3-hexylthiophene) and [6, 6]-phenyl-C61-butyric acid methyl ester as subject, light absorption increase of 26 % at an average wavelength of incident light is demonstrated. This design method is also applicable to other types of OSCs.     

Conformations and dynamics of surfactants in micelles and liquid crystals by nuclear magnetic relaxation

The order parameters as well as the rates of overall and internal motions of aggregated surfactants can be obtained from deuteron and carbon-13 nuclear relaxation experiments. The main contribution to the relaxation is generally the quadrupolar coupling (²H) or the short range dipolar interaction with protons (¹³C). In some cases it is convenient to derive the same information from the¹³C relaxation induced by long range dipolar interactions with a paramagnetic probe exchanging rapidly among the polar heads of surfactant molecules. This paper outlines the methods of interpretation of relaxation data by means of a rotational jump model of internal motions, taking into account most of the accessible conformers. The conformational and dynamical parameters are obtained from the magnetic field dependence of the longitudinal relaxation rates (micelles) or from the simultaneous fit of these rates and of the dipolar or quadrupolar splittings (liquid crystals). Some examples of application of these methods are given from recent works on single and double detailed surfactants.     

Plasmonic Scattering by Metal Nanoparticles for Solar Cells

We investigate on absorption and scattering from metal nanoparticles in view of possible applications to photovoltaic cells. The analysis, accounting for most of the parameters involved in the physical mechanism of scattering, is split into two parts. In the first part, scattering from a metallic sphere is treated analytically to investigate the dependence on sphere size, sphere metal, and surrounding medium. In the second part, scattering from a metallic particle is investigated as a function of particle shape (spheroids, hemispheres, and cylinders) via numerical simulations based on the finite-difference time-domain method. The aim of the work is to provide a systematic study on scattering and absorption by metal nanoparticles, exploring several combinations of material and geometrical parameters in order to identify those combinations that could play a key role in solar cell efficiency improvement.     

Optical properties of some freshwater phytoplanktonic algae

Measurements of absorption and scattering of light by pure cultures of some New Zealand freshwater phytoplankters have been made with a spectrophotometer. An integrating sphere accessory was used to capture most of the light scattered by an algal cell suspension and thus give an indication of the true absorption coefficient, with only a small correction required for residual scattering. The purpose of this study was to investigate the factors affecting the relationships of chlorophyll-a concentration to absorption and scattering by a diverse selection of algae. Qualitative differences in absorption spectra of the different phytoplankton studied here can be related to differences in pigment composition. Quantitative differences in the specific absorption coefficients (absorption coefficient divided by Chl-a concentration) at the Chl-a red peak (676 nm in vivo) are explained in terms of different extents of packaging of pigment in cells or cell aggregates in the different cultures. Qualitative differences in scattering spectra are explained in terms of optical size of the particulates comprising the pure cultures. The green and diatom cultures displayed a complex-shaped but non-trending scattering spectrum with minima (troughs) in scattering associated with maxima (peaks) in absorption. The blue-green cultures behaved as optically small particles and displayed a pattern of decreasing scattering with increasing wavelength. Quantitative differences in specific scattering coefficients (scattering coefficient divided by Chl-a concentration) were related mainly to differences in the effective ratio of surface areas to Chl-a content of scattering centres in the different cultures. Overall, however, the specific absorption and scattering coefficients at any given wavelength were less variable between cultures than expected suggesting that the common assumption that absorption and scattering by the algal component of a lake water depends only on the Chl-a concentration may be a justifiable first approximation in field studies.     

An inhomogeneous most likely path formalism for proton computed tomography

PurposeMultiple Coulomb scattering (MCS) poses a challenge in proton CT (pCT) image reconstruction. The assumption of straight paths is replaced with Bayesian models of the most likely path (MLP). Current MLP-based pCT reconstruction approaches assume a water scattering environment. We propose an MLP formalism based on accurate determination of scattering moments in inhomogeneous media.MethodsScattering power relative to water (RScP) was calculated for a range of human tissues and investigated against relative stopping power (RStP). Monte Carlo simulation was used to compare the new inhomogeneous MLP formalism to the water approach in a slab geometry and a human head phantom. An MLP-Spline-Hybrid method was investigated for improved computational efficiency.ResultsA piecewise-linear correlation between RStP and RScP was shown, which may assist in iterative pCT reconstruction. The inhomogeneous formalism predicted Monte Carlo proton paths through a water cube with thick bone inserts to within 1.0 mm for beams ranging from 210 to 230 MeV incident energy. Improvement in accuracy over the conventional MLP ranged from 5% for a 230 MeV beam to 17% for 210 MeV. There was no noticeable gain in accuracy when predicting 200 MeV proton paths through a clinically relevant human head phantom. The MLP-Spline-Hybrid method reduced computation time by half while suffering negligible loss of accuracy.ConclusionsWe have presented an MLP formalism that accounts for material composition. In most clinical cases a water scattering environment can be assumed, however in certain cases of significant heterogeneity the proposed algorithm may improve proton path estimation.     

New Type Design of the Triple-Band and Five-Band Metamaterial Absorbers at Terahertz Frequency

A new scheme to achieve a simple design of triple-band metamaterial absorber at terahertz frequency is presented. In this scheme, we employ a traditional sandwich structure, which is consisted of a metallic resonator and an appropriate thickness of the dielectric layer backed with an opaque metallic board, as the research object. Three strong but discrete resonance peaks with the narrow bandwidths and high absorptivities are realized. The combination of the dipolar resonance, LC (inductor-capacitor circuit) resonance, and the surface resonance of the metallic resonator determines the triple-band absorption. Numerical results also show that the frequencies of the three absorption bands and the number of the resonance peaks can be effectively tuned by adjusting or changing the geometric parameters of the metallic resonator. Moreover, we present a simple design of five-band terahertz absorber by further optimizing the sizes of the metallic elements in the top layer of the metamaterial. The design of the unit structures will assist in designing innovative absorbing devices for spectroscopy imaging, detection, and sensing.     

Effects of suspensoids (turbidity) on penetration of solar radiation in aquatic ecosystems

In mainland Australia and in southern Africa, the aridity of the climate and sparse vegetative cover increase the susceptibility of the soils to erosion, and as a consequence surface waters are usually turbid. The inanimate suspensoids in such waters, the tripton fraction of the limnologist, are responsible for virtually all the light scattering, and also, by virtue of the yellow-brown humic materials adsorbed on their surface, for a substantial part of the light absorption. Spectral absorption data for suspensoids in terms of theirin situ absorption coefficient values, and the contribution of suspensoids to absorption of photosynthetically available radiation (PAR) are given for certain Australian water bodies.To understand the effect of suspensoids on attenuation of the solar flux with depth, the scattering coefficient must also be known, and this can be determined from the nephelometric turbidity or from up- and down-welling irradiance measurements. The effect of particle size on scattering efficiency is discussed.An equation expressing the vertical attenuation coefficient for downward irradiance as a function of absorption coefficient, scattering coefficient and solar altitude is presented, and is used to explore the effects of absorption due to dissolved colour and suspensoids, and the effects of scattering by suspensoids, on the penetration of PAR.Suspensoids, by increasing the rate of attenuation of the solar flux with depth, can greatly diminish the euphotic depth of a water body, with a consequent decrease in the ratio of the euphotic to the mixed depth: thus turbidity can reduce productivity of a water body substantially below that which might be expected on the basis of nutrient availability. Shallow turbid waters of low intrinsic colour can, however, be highly productive. By diminishing the depth of the layer within which solar energy is dissipated as heat, suspensoids can greatly modify the hydrodynamic behaviour of water bodies, and this also has far-reaching ecological consequences.Suspensoids drastically impair the visual clarity of water, a fact of major significance for the aquatic fauna, as well of aesthetic significance for humanity. The reciprocal of the Secchi depth is more correctly thought of as a guide to the vertical contrast attenuation coefficient rather than to the vertical attenuation coefficient for irradiance. The reflectivity of a water body, being at any wavelength proportional to the backscattering coefficient divided by the absorption coefficient, is highly dependent on the concentration, and optical character, of the suspensoids present. This has implications not only for the appearance (colour, muddiness) of the water to an observer, but also for the remote sensing of water composition by air- or satellite-borne radiometric sensors.     

Ageing of chloroplasts in vitro II. Changes in absorption spectra and the DCPIP Hill reaction

Changes in absorption characteristics and in Hill activity werestudied during ageing of isolated chloroplasts in the dark andlight. Ageing of chloroplasts brings about significant reductionin the peak absorption in the blue and red bands and resultsin a blue shift in the red band. Incubation of chloroplastsin the dark prevented the early appearance of a light-inducedblue shift at pH 7 and pH 8 but not at pH 6 of the storage media.Addition of BSA or DTT to chloroplast suspensions of pH 6 andpH 7 significantly delayed the blue shift both in the lightand dark, but the chemicals had no effect at pH 8. Ageing-induced loss in DCPIP reduction is restored considerablyby the addition of exogenous electron donors such as DPC orMn²⁺, which suggests loss of the oxygen evolution system. Mn²⁺loses its ability to donate electrons for DCPIP photoreductionduring ageing faster than DPC. This indicates that there aretwo sites between water and the PS II reaction centre for theentry of electrons from these two donors and that ageing causessequential loss of these sites. The loss in DPC supported DCPIP photoreduction coincides, intime, with the ageing-induced blue shift of the red absorptionband and thus suggests structure and function relations of theplastid membrane. (Received October 30, 1978; )     

Broadband Plasmon-Induced Transparency in Plasmonic Metasurfaces Based on Bright-Dark-Bright Mode Coupling

Plasmon-induced transparency (PIT), an analog of electromagnetically induced transparency, originates from destructive interference of plasmonic resonators with different quality factors and brings about the extreme dispersion within the narrow transparency window, promising remarkable potential for slow light, nonlinear optics and biochemical sensors. However, sometimes a broad transmission frequency band is more desirable for other applications such as bandpass filters. In general, strong coupling between bright and dark plasmon modes in coupled resonant systems leads to wide transparency bandwidth at the PIT resonance. Based on multi-oscillator coupling theory, a metasurface structure consisting of three perpendicularly connected metallic nanobars is purposefully designed and numerically demonstrated to support broadband PIT spectral response. The near-field patterns indicate that the broadening of the transparent band results from the constructive interference of dual excitations of the single non-radiative (dark) resonator by the two radiative (bright) antennas. These results show that this scheme of bright-dark-bright mode coupling is significantly beneficial for designing filters operating over a broad frequency range.

     

Body Composition in a Seasonal Model of Obesity: Longitudinal Measures and Validation of DXA

Objective: Collared lemmings, Dicrostonyx groenlandicus, show rapid changes in body mass on a seasonal basis. The objective of this study was to measure longitudinal changes in body composition in animals undergoing photoperiod-induced weight gain and loss using DXA. Research Methods and Procedures: Adult, female collared lemmings exposed to either long (LD; 22 hours light/2 hours dark) or short (SD; 8 hours light/16 hours dark) photoperiods were anesthetized, and DXA was used to determine fat mass, lean tissue mass (LTM), total-body bone mineral content, and total-bone mineral density. After a baseline scan, one-half of the animals were transferred to the alternate photoperiod (SD-LD, weight loss; LD-SD, weight gain) and one-half remained on the same photoperiod (controls; SD-SD, LD-LD). Body composition was determined by DXA after 4 and 8 weeks. Animals were killed, and body composition was determined by carcass analysis. DXA-derived data were validated by comparing with carcass analysis. Results: Body composition by DXA was highly related to body composition measured by chemical analysis, thereby justifying the use of DXA. Lemmings in the SD-LD group lost weight, and this was reflected in measurable losses of fat and LTM. Lemmings in the LD-SD group gained weight, which was shown by measurable increases in fat, LTM and total-body bone mineral content. Discussion: Comparison of body composition determined by DXA to that by chemical extraction revealed that DXA is useful for measuring body composition. The longitudinal analysis revealed that collared lemmings undergo rapid changes in body composition when exposed to changes in photoperiod.     

A Simple Design of a Multi-Band Terahertz Metamaterial Absorber Based on Periodic Square Metallic Layer with T-Shaped Gap

We present a multi-band terahertz absorber formed by periodic square metallic ribbon with T-shaped gap and a metallic ground plane separated by a dielectric layer. It is demonstrated that absorption spectra of the proposed structure consist of four absorption peaks located at 1.12, 2.49, 3.45, and 3.91 THz with high absorption coefficients of 98.0, 98.9, 98.7, and 99.6%, respectively. It is demonstrated that the proposed absorber has the tunability from single-band to broadband by changing the length of square metallic ribbon and we can also select or tune the frequencies which we want to use by changing polarization angles. Importantly, the quality factor Q at 3.91 THz is 30.1, which is 5.6 times higher than that of 1.12 THz. These results indicate that the proposed absorber has a promising potential for devices, such as detection, sensing, and imaging.

     

Efficiency Enhancement of Ultra-thin CIGS Solar Cells Using Bandgap Grading and Embedding Au Plasmonic Nanoparticles

The objective of this study is to enhance the efficiency of copper indium gallium selenide (CIGS) solar cells. To accomplish that, composition grading of absorber layer was carried out by using SILVACO’s technology aided computer design (TCAD) ATLAS program. Results showed a meaningful improvement of output parameters including open-circuit voltage (V_oc), short-circuit current (I_sc), fill factor (FF), and power conversion efficiency (η). For further performance improvement of the cell, Au plasmonic scattering nanoparticles were loaded on the top of the ZnO window layer. Plasmonic nanoparticles can restrict, absorb, navigate, or scatter the incident light. By using the spherical Au nanoparticles, a very good increase in the light absorption in the cell over the reference planar CIGS solar cell was observed. The highest η = 19.01% was achieved for the designed ultra-thin bandgap-graded CIGS solar cell decorated by Au nanoparticles.

     

Coupling Efficiency of Surface Plasmon Polaritons: Far- and Near-Field Analyses

The excitation of surface plasmon polaritons (SPPs) through one-dimentional (1D) metallic (Au) grating on higher refractive index -GaP substrate is investigated. Such grating devices find potential applications in real world, only if the coupling efficiency (η) of a free-space transverse-magnetic plane-wave into a SPPs mode is maximum. A simple and robust technique is used to estimate the η, by simply measuring the transmission through the grating while varying slit width (a) but period (Λ) and the thickness (t) remain fixed. When the wave vector (k ₀ ) of the incident light is matched to that of SPP, highest η is achieved. It is found that Λ/3 < a < Λ/2 yields a maximum η where the intermediate scattering couples more incident energy to SPPs. These gratings are designed in such a way that they support only the fundamental plasmonic mode yielding higher η. Scanning near-field optical measurements also confirm and corroborate the observations of far-field and near-field modeling (COMSOL multiphysics) results.

     

Responses of Heterotrophic Cultures of Chlorella vulgaris Beyerinck to Darkness and Light. I. Pigment and pH Changes

Glucose cultures of Chlorella vulgaris were grown in white light, in monochromatic light, and in darkness. Difference spectra showed that all wavelengths resulted in increased pigmentation over the dark controls.

Cells irradiated with the 600 mμ beam showed a much higher absorption in the blue end of the spectrum with respect to the red end than is normally found in absorption spectra of white-light grown Chlorella cells.

Dry weight comparisons between monochromatic light and dark controls showed the controls to be somewhat higher. This demonstrated that the monochromatic irradiation produced pigment synthesis but no increase in growth. Dark growth experiments suggested that cultures incubated in darkness on glucose excreted an acidic product.

     

Improving Solar Cells’ Light Trapping by the Low Loss Interface Photonic Crystals

Improving the silicon layer’s optical absorption is a key research point for crystalline silicon based thin film solar cells. Light trapping is a method widely adopted to achieve this research purpose. In this paper, we propose low loss interface photonic crystals layer (IPC), which is sandwiched between the crystalline silicon layer and the cover layer. The low loss interface photonic crystals layer could boost the light trapping efficiency significantly. The mechanism is that the smaller refraction index difference between silicon layer and the low loss interface photonic crystals layer could reduce the light’s interface reflection. Taking advantage of the coupling calculation by optical and electrical simulations, solar cell’s absorption efficiency and electrical performance parameters are obtained. Compared with optimized reference group, the maximum output power of the proposed solar cell could be improved by 6.44%. The result indicates that the proposed low loss interface photonic crystals layer is applicable for light’s trapping in crystalline silicon thin film solar cells.