Charged inclusion in nematic liquid crystals

We present a general theory of liquid crystals under inhomogeneous electric field in a Ginzburg-Landau scheme. The molecular orientation can be deformed by electric field when the dielectric tensor is orientation-dependent. We then investigate the influence of a charged particle on the orientation order in a nematic state. The director is aligned either along or perpendicular to the local electric field around the charge, depending on the sign of the dielectric anisotropy. The deformation becomes stronger with increasing the ratio $Ze/R$, where $Ze$ is the charge and $R$ is the radius of the particle. Numerical analysis shows the presence of defects around the particle for large $Ze/R$. They are nanometer-scale defects for microscopic ions. If the dielectric anisotropy is positive, a Saturn ring defect appears. If it is negative, a pair of point defects appear apart from the particle surface, each being connected to the surface by a disclination line segment.Comment: 12 figure

The crossover from propagating to strongly scattered acoustic modes of glasses observed in densified silica

Spectroscopic results on low frequency excitations of densified silica are presented and related to characteristic thermal properties of glasses. The end of the longitudinal acoustic branch is marked by a rapid increase of the Brillouin linewidth with the scattering vector. This rapid growth saturates at a crossover frequency Omega_co which nearly coincides with the center of the boson peak. The latter is clearly due to additional optic-like excitations related to nearly rigid SiO_4 librations as indicated by hyper-Raman scattering. Whether the onset of strong scattering is best described by hybridization of acoustic modes with these librations, by their elastic scattering (Rayleigh scattering) on the local excitations, or by soft potentials remains to be settled.Comment: 14 pages, 6 figures, to be published in a special issue of J. Phys. Condens. Matte

Numerical study of anharmonic vibrational decay in amorphous and paracrystalline silicon

The anharmonic decay rates of atomic vibrations in amorphous silicon (a-Si) and paracrystalline silicon (p-Si), containing small crystalline grains embedded in a disordered matrix, are calculated using realistic structural models. The models are 1000-atom four-coordinated networks relaxed to a local minimum of the Stillinger-Weber interatomic potential. The vibrational decay rates are calculated numerically by perturbation theory, taking into account cubic anharmonicity as the perturbation. The vibrational lifetimes for a-Si are found to be on picosecond time scales, in agreement with the previous perturbative and classical molecular dynamics calculations on a 216-atom model. The calculated decay rates for p-Si are similar to those of a-Si. No modes in p-Si reside entirely on the crystalline cluster, decoupled from the amorphous matrix. The localized modes with the largest (up to 59%) weight on the cluster decay primarily to two diffusons. The numerical results are discussed in relation to a recent suggestion by van der Voort et al. [Phys. Rev. B {\bf 62}, 8072 (2000)] that long vibrational relaxation inferred experimentally may be due to possible crystalline nanostructures in some types of a-Si.Comment: 9 two-column pages, 13 figure

Whole Transcriptome Analysis of the Coral Acropora millepora Reveals Complex Responses to CO2-driven Acidification during the Initiation of Calcification

n/

Static and Dynamic Properties of a Viscous Silica Melt Molecular Dynamics Computer Simulations

We present the results of a large scale molecular dynamics computer simulation in which we investigated the static and dynamic properties of a silica melt in the temperature range in which the viscosity of the system changes from O(10^-2) Poise to O(10^2) Poise. We show that even at temperatures as high as 4000 K the structure of this system is very similar to the random tetrahedral network found in silica at lower temperatures. The temperature dependence of the concentration of the defects in this network shows an Arrhenius law. From the partial structure factors we calculate the neutron scattering function and find that it agrees very well with experimental neutron scattering data. At low temperatures the temperature dependence of the diffusion constants $D$ shows an Arrhenius law with activation energies which are in very good agreement with the experimental values. With increasing temperature we find that this dependence shows a cross-over to one which can be described well by a power-law, D\propto (T-T_c)^gamma. The critical temperature T_c is 3330 K and the exponent gamma is close to 2.1. Since we find a similar cross-over in the viscosity we have evidence that the relaxation dynamics of the system changes from a flow-like motion of the particles, as described by the ideal version of mode-coupling theory, to a hopping like motion. We show that such a change of the transport mechanism is also observed in the product of the diffusion constant and the life time of a Si-O bond, or the space and time dependence of the van Hove correlation functions.Comment: 30 pages of Latex, 14 figure

Harmonic Vibrational Excitations in Disordered Solids and the "Boson Peak"

We consider a system of coupled classical harmonic oscillators with spatially fluctuating nearest-neighbor force constants on a simple cubic lattice. The model is solved both by numerically diagonalizing the Hamiltonian and by applying the single-bond coherent potential approximation. The results for the density of states $g(\omega)$ are in excellent agreement with each other. As the degree of disorder is increased the system becomes unstable due to the presence of negative force constants. If the system is near the borderline of stability a low-frequency peak appears in the reduced density of states $g(\omega)/\omega^2$ as a precursor of the instability. We argue that this peak is the analogon of the "boson peak", observed in structural glasses. By means of the level distance statistics we show that the peak is not associated with localized states

Potential of multispectral synergism for observing ozone pollution by combining IASI-NG and UVNS measurements from the EPS-SG satellite

Present and future satellite observations offer great potential for monitoring air quality on a daily and global basis. However, measurements from currently orbiting satellites do not allow a single sensor to accurately probe surface concentrations of gaseous pollutants such as tropospheric ozone. Combining information from IASI (Infrared Atmospheric Sounding Interferometer) and GOME-2 (Global Ozone Monitoring Experiment-2) respectively in the TIR and UV spectra, a recent multispectral method (referred to as IASI+GOME-2) has shown enhanced sensitivity for probing ozone in the lowermost troposphere (LMT, below 3 km altitude) with maximum sensitivity down to 2.20 km a.s.l. over land, while sensitivity for IASI or GOME-2 alone only peaks at 3 to 4 km at the lowest.In this work we develop a pseudo-observation simulator and evaluate the potential of future EPS-SG (EUMETSAT Polar System – Second Generation) satellite observations, from new-generation sensors IASI-NG (Infrared Atmospheric Sounding Interferometer – New Generation) and UVNS (Ultraviolet Visible Near-infrared Shortwave-infrared), to observe near-surface O3 through the IASI-NG+UVNS multispectral method. The pseudo-real state of the atmosphere is provided by the MOCAGE (MOdèle de Chimie Atmosphérique à Grande Échelle) chemical transport model. We perform full and accurate forward and inverse radiative transfer calculations for a period of 4 days (8–11 July 2010) over Europe.In the LMT, there is a remarkable agreement in the geographical distribution of O3 partial columns between IASI-NG+UVNS pseudo-observations and the corresponding MOCAGE pseudo-reality. With respect to synthetic IASI+GOME-2 products, IASI-NG+UVNS shows a higher correlation between pseudo-observations and pseudo-reality, which is enhanced by about 12 %. The bias on high ozone retrieval is reduced and the average accuracy increases by 22 %. The sensitivity to LMT ozone is also enhanced. On average, the degree of freedom for signal is higher by 159 % over land (from 0.29 to 0.75) and 214 % over ocean (from 0.21 to 0.66). The mean height of maximum sensitivity for the LMT peaks at 1.43 km over land and 2.02 km over ocean, respectively 1.03 and 1.30 km below that of IASI+GOME-2. IASI-NG+UVNS also shows good retrieval skill in the surface–2 km altitude range. It is one of a kind for retrieving ozone layers of 2–3 km thickness, in the first 2–3 km of the atmosphere. IASI-NG+UVNS is expected to largely enhance the capacity to observe ozone pollution from space

Potential of multispectral synergism for observing ozone pollution by combining IASI-NG and UVNS measurements from the EPS-SG satellite

Present and future satellite observations offer great potential for monitoring air quality on a daily and global basis. However, measurements from currently orbiting satellites do not allow a single sensor to accurately probe surface concentrations of gaseous pollutants such as tropospheric ozone. Combining information from IASI (Infrared Atmospheric Sounding Interferometer) and GOME-2 (Global Ozone Monitoring Experiment-2) respectively in the TIR and UV spectra, a recent multispectral method (referred to as IASI+GOME-2) has shown enhanced sensitivity for probing ozone in the lowermost troposphere (LMT, below 3 km altitude) with maximum sensitivity down to 2.20 km a.s.l. over land, while sensitivity for IASI or GOME-2 alone only peaks at 3 to 4 km at the lowest.In this work we develop a pseudo-observation simulator and evaluate the potential of future EPS-SG (EUMETSAT Polar System – Second Generation) satellite observations, from new-generation sensors IASI-NG (Infrared Atmospheric Sounding Interferometer – New Generation) and UVNS (Ultraviolet Visible Near-infrared Shortwave-infrared), to observe near-surface O3 through the IASI-NG+UVNS multispectral method. The pseudo-real state of the atmosphere is provided by the MOCAGE (MOdèle de Chimie Atmosphérique à Grande Échelle) chemical transport model. We perform full and accurate forward and inverse radiative transfer calculations for a period of 4 days (8–11 July 2010) over Europe.In the LMT, there is a remarkable agreement in the geographical distribution of O3 partial columns between IASI-NG+UVNS pseudo-observations and the corresponding MOCAGE pseudo-reality. With respect to synthetic IASI+GOME-2 products, IASI-NG+UVNS shows a higher correlation between pseudo-observations and pseudo-reality, which is enhanced by about 12 %. The bias on high ozone retrieval is reduced and the average accuracy increases by 22 %. The sensitivity to LMT ozone is also enhanced. On average, the degree of freedom for signal is higher by 159 % over land (from 0.29 to 0.75) and 214 % over ocean (from 0.21 to 0.66). The mean height of maximum sensitivity for the LMT peaks at 1.43 km over land and 2.02 km over ocean, respectively 1.03 and 1.30 km below that of IASI+GOME-2. IASI-NG+UVNS also shows good retrieval skill in the surface–2 km altitude range. It is one of a kind for retrieving ozone layers of 2–3 km thickness, in the first 2–3 km of the atmosphere. IASI-NG+UVNS is expected to largely enhance the capacity to observe ozone pollution from space

The evolution of vibrational excitations in glassy systems

The equations of the mode-coupling theory (MCT) for ideal liquid-glass transitions are used for a discussion of the evolution of the density-fluctuation spectra of glass-forming systems for frequencies within the dynamical window between the band of high-frequency motion and the band of low-frequency-structural-relaxation processes. It is shown that the strong interaction between density fluctuations with microscopic wave length and the arrested glass structure causes an anomalous-oscillation peak, which exhibits the properties of the so-called boson peak. It produces an elastic modulus which governs the hybridization of density fluctuations of mesoscopic wave length with the boson-peak oscillations. This leads to the existence of high-frequency sound with properties as found by X-ray-scattering spectroscopy of glasses and glassy liquids. The results of the theory are demonstrated for a model of the hard-sphere system. It is also derived that certain schematic MCT models, whose spectra for the stiff-glass states can be expressed by elementary formulas, provide reasonable approximations for the solutions of the general MCT equations.Comment: 50 pages, 17 postscript files including 18 figures, to be published in Phys. Rev.

Tropospheric Ozone Assessment Report: Tropospheric ozone from 1877 to 2016, observed levels, trends and uncertainties

From the earliest observations of ozone in the lower atmosphere in the 19th century, both measurement methods and the portion of the globe observed have evolved and changed. These methods have different uncertainties and biases, and the data records differ with respect to coverage (space and time), information content, and representativeness. In this study, various ozone measurement methods and ozone datasets are reviewed and selected for inclusion in the historical record of background ozone levels, based on relationship of the measurement technique to the modern UV absorption standard, absence of interfering pollutants, representativeness of the well-mixed boundary layer and expert judgement of their credibility. There are significant uncertainties with the 19th and early 20th-century measurements related to interference of other gases. Spectroscopic methods applied before 1960 have likely underestimated ozone by as much as 11% at the surface and by about 24% in the free troposphere, due to the use of differing ozone absorption coefficients. There is no unambiguous evidence in the measurement record back to 1896 that typical mid-latitude background surface ozone values were below about 20 nmol mol–1, but there is robust evidence for increases in the temperate and polar regions of the northern hemisphere of 30–70%, with large uncertainty, between the period of historic observations, 1896–1975, and the modern period (1990–2014). Independent historical observations from balloons and aircraft indicate similar changes in the free troposphere. Changes in the southern hemisphere are much less. Regional representativeness of the available observations remains a potential source of large errors, which are difficult to quantify