The PML for rough surface scattering

In this paper we investigate the use of the perfectly matched layer (PML) to truncate a time harmonic rough surface scattering problem in the direction away from the scatterer. We prove existence and uniqueness of the solution of the truncated problem as well as an error estimate depending on the thickness and composition of the layer. This global error estimate predicts a linear rate of convergence (under some conditions on the relative size of the real and imaginary parts of the PML function) rather than the usual exponential rate. We then consider scattering by a half-space and show that the solution of the PML truncated problem converges globally at most quadratically (up to logarithmic factors), providing support for our general theory. However we also prove exponential convergence on compact subsets. We continue by proposing an iterative correction method for the PML truncated problem and, using our estimate for the PML approximation, prove convergence of this method. Finally we provide some numerical results in 2D.(C) 2008 IMACS. Published by Elsevier B.V. All rights reserved.

The variation in transparency of amniotic membrane used in ocular surface regeneration

Background/aims: Scant consideration has been given to the variation in structure of the human amniotic membrane (AM) at source or to the significance such differences might have on its clinical transparency. Therefore, we applied our experience of quantifying corneal transparency to AM. Methods: Following elective caesarean, AM from areas of the fetal sac distal and proximal (ie, adjacent) to the placenta was compared with freeze-dried AM. The transmission of light through the AM samples was quantified spectrophotometrically; also, tissue thickness was measured by light microscopy and refractive index by refractometry. Results: Freeze-dried and freeze-thawed AM samples distal and proximal to the placenta differed significantly in thickness, percentage transmission of visible light and refractive index. The thinnest tissue (freeze-dried AM) had the highest transmission spectra. The thickest tissue (freeze-thawed AM proximal to the placenta) had the highest refractive index. Using the direct summation of fields method to predict transparency from an equivalent thickness of corneal tissue, AM was found to be up to 85% as transparent as human cornea. Conclusion: When preparing AM for ocular surface reconstruction within the visual field, consideration should be given to its original location from within the fetal sac and its method of preservation, as either can influence corneal transparency.

Searching for the perfect surface area normalizing term - a comparison of BET surface area-, geometric surface area- and mass-normalized dissolution rates of anorthite and biotite

Dissolution rates were calculated for a range of grain sizes of anorthite and biotite dissolved under far from equilibrium conditions at pH 3, T = 20 degrees C. Dissolution rates were normalized to initial and final BET surface area, geometric surface area, mass and (for biotite only) geometric edge surface area. Constant (within error) dissolution rates were only obtained by normalizing to initial BET surface area for biotite. The normalizing term that gave the smallest variation about the mean for anorthite was initial BET surface area. In field studies, only current (final) surface area is measurable. In this study, final geometric surface area gave the smallest variation for anorthite dissolution rates and final geometric edge surface area for biotite dissolution rates. (c) 2005 Published by Elsevier B.V.

Surface and interstitial Ti diffusion at the rutile TiO2(110) surface

Diffusion of Ti through the TiO2 (110) rutile surface plays a key role in the growth and reactivity of TiO2. To understand the fundamental aspects of this important process, we present an analysis of the diffusion of Ti adspecies at the stoichiometric TiO2(110) surface using complementary computational methodologies of density functional theory corrected for on-site Coulomb interactions (DFT+U) and a charge equilibration (QEq) atomistic potential to identify minimum energy pathways. We find that diffusion of Ti from the surface to subsurface (and vice versa) follows an intersticialcy exchange mechanism, involving exchange of surface Ti with the 6-fold coordinated Ti below the bridging oxygen rows. Diffusion in the subsurface between layers also follows an interstitialcy mechanism. The diffusion of Ti is discussed in light of continued attempts to understand the re-oxidation of non-stoichiometric TiO2(110) surfaces.

A model study of oceanic mechanisms affecting Equatorial Pacific sea surface temperature during the 1997-98 El Niño

In this study, the processes affecting sea surface temperature variability over the 1992–98 period, encompassing the very strong 1997–98 El Niño event, are analyzed. A tropical Pacific Ocean general circulation model, forced by a combination of weekly ERS1–2 and TAO wind stresses, and climatological heat and freshwater fluxes, is first validated against observations. The model reproduces the main features of the tropical Pacific mean state, despite a weaker than observed thermal stratification, a 0.1 m s−1 too strong (weak) South Equatorial Current (North Equatorial Countercurrent), and a slight underestimate of the Equatorial Undercurrent. Good agreement is found between the model dynamic height and TOPEX/Poseidon sea level variability, with correlation/rms differences of 0.80/4.7 cm on average in the 10°N–10°S band. The model sea surface temperature variability is a bit weak, but reproduces the main features of interannual variability during the 1992–98 period. The model compares well with the TAO current variability at the equator, with correlation/rms differences of 0.81/0.23 m s−1 for surface currents. The model therefore reproduces well the observed interannual variability, with wind stress as the only interannually varying forcing. This good agreement with observations provides confidence in the comprehensive three-dimensional circulation and thermal structure of the model. A close examination of mixed layer heat balance is thus undertaken, contrasting the mean seasonal cycle of the 1993–96 period and the 1997–98 El Niño. In the eastern Pacific, cooling by exchanges with the subsurface (vertical advection, mixing, and entrainment), the atmospheric forcing, and the eddies (mainly the tropical instability waves) are the three main contributors to the heat budget. In the central–western Pacific, the zonal advection by low-frequency currents becomes the main contributor. Westerly wind bursts (in December 1996 and March and June 1997) were found to play a decisive role in the onset of the 1997–98 El Niño. They contributed to the early warming in the eastern Pacific because the downwelling Kelvin waves that they excited diminished subsurface cooling there. But it is mainly through eastward advection of the warm pool that they generated temperature anomalies in the central Pacific. The end of El Niño can be linked to the large-scale easterly anomalies that developed in the western Pacific and spread eastward, from the end of 1997 onward. In the far-western Pacific, because of the shallower than normal thermocline, these easterlies cooled the SST by vertical processes. In the central Pacific, easterlies pushed the warm pool back to the west. In the east, they led to a shallower thermocline, which ultimately allowed subsurface cooling to resume and to quickly cool the surface layer.

Effects of fluctuating daily surface fluxes on the time-mean oceanic circulation

The effect of fluctuating daily surface fluxes on the time-mean oceanic circulation is studied using an empirical flux model. The model produces fluctuating fluxes resulting from atmospheric variability and includes oceanic feedbacks on the fluxes. Numerical experiments were carried out by driving an ocean general circulation model with three different versions of the empirical model. It is found that fluctuating daily fluxes lead to an increase in the meridional overturning circulation (MOC) of the Atlantic of about 1 Sv and a decrease in the Antarctic circumpolar current (ACC) of about 32 Sv. The changes are approximately 7% of the MOC and 16% of the ACC obtained without fluctuating daily fluxes. The fluctuating fluxes change the intensity and the depth of vertical mixing. This, in turn, changes the density field and thus the circulation. Fluctuating buoyancy fluxes change the vertical mixing in a non-linear way: they tend to increase the convective mixing in mostly stable regions and to decrease the convective mixing in mostly unstable regions. The ACC changes are related to the enhanced mixing in the subtropical and the mid-latitude Southern Ocean and reduced mixing in the high-latitude Southern Ocean. The enhanced mixing is related to an increase in the frequency and the depth of convective events. As these events bring more dense water downward, the mixing changes lead to a reduction in meridional gradient of the depth-integrated density in the Southern Ocean and hence the strength of the ACC. The MOC changes are related to more subtle density changes. It is found that the vertical mixing in a latitudinal strip in the northern North Atlantic is more strongly enhanced due to fluctuating fluxes than the mixing in a latitudinal strip in the South Atlantic. This leads to an increase in the density difference between the two strips, which can be responsible for the increase in the Atlantic MOC.

Solar modulation in surface atmospheric electricity

The solar wind modulates the flux of galactic cosmic rays impinging on Earth inversely with solar activity. Cosmic ray ionisation is the major source of air’s electrical conductivity over the oceans and well above the continents. Differential solar modulation of the cosmic ray energy spectrum modifies the cosmic ray ionisation at different latitudes,varying the total atmospheric columnar conductance. This redistributes current flow in the global atmospheric electrical circuit, including the local vertical current density and the related surface potential gradient. Surface vertical current density and potential gradient measurements made independently at Lerwick Observatory,Shetland,from 1978 to 1985 are compared with modelled changes in cosmic ray ionisation arising from solar activity changes. Both the lower troposphere atmospheric electricity quantities are significantly increased at cosmic ray maximum(solar minimum),with a proportional change greater than that of the cosmic ray change.

Surface structure of thin asymmetric PS-b-PMMA diblock copolymers investigated by atomic force microscopy

Asymmetric poly(styrene-b-methyl methacrylate) (PS-b-PMMA) diblock copolymers of molecular weight M-n = 29,700g mol(-1) (M-PS = 9300 g mol(-1) M-PMMA = 20,100 g mol(-1), PD = 1.15, chi(PS) = 0.323, chi(PMMA) = 0.677) and M-n = 63,900 g mol(-1) (M-PS = 50,500 g mol(-1), M-PMMA = 13,400 g mol(-1), PD = 1.18, chi(PS) = 0.790, chi(PMMA) = 0.210) were prepared via reversible addition-fragmentation chain transfer (RAFT) polymerization. Atomic force microscopy (AFM) was used to investigate the surface structure of thin films, prepared by spin-coating the diblock copolymers on a silicon substrate. We show that the nanostructure of the diblock copolymer depends on the molecular weight and volume fraction of the diblock copolymers. We observed a perpendicular lamellar structure for the high molar mass sample and a hexagonal-packed cylindrical patterning for the lower molar mass one. Small-angle X-ray scattering investigation of these samples without annealing did not reveal any ordered structure. Annealing of PS-b-PMMA samples at 160 degrees C for 24 h led to a change in surface structure.

Global and local expression of chirality in serine on the Cu{110} surface

Establishing a molecular-level understanding of enantioselectivity and chiral resolution at the organic−inorganic interfaces is a key challenge in the field of heterogeneous catalysis. As a model system, we investigate the adsorption geometry of serine on Cu{110} using a combination of low-energy electron diffraction (LEED), scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. The chirality of enantiopure chemisorbed layers, where serine is in its deprotonated (anionic) state, is expressed at three levels: (i) the molecules form dimers whose orientation with respect to the substrate depends on the molecular chirality, (ii) dimers of l- and d-enantiomers aggregate into superstructures with chiral (−1 2; 4 0) lattices, respectively, which are mirror images of each other, and (iii) small islands have elongated shapes with the dominant direction depending on the chirality of the molecules. Dimer and superlattice formation can be explained in terms of intra- and interdimer bonds involving carboxylate, amino, and β−OH groups. The stability of the layers increases with the size of ordered islands. In racemic mixtures, we observe chiral resolution into small ordered enantiopure islands, which appears to be driven by the formation of homochiral dimer subunits and the directionality of interdimer hydrogen bonds. These islands show the same enantiospecific elongated shapes those as in low-coverage enantiopure layers.

An assessment of aerosol‐cloud interactions in marine stratus clouds based on surface remote sensing

An assessment of aerosol-cloud interactions (ACI) from ground-based remote sensing under coastal stratiform clouds is presented. The assessment utilizes a long-term, high temporal resolution data set from the Atmospheric Radiation Measurement (ARM) Program deployment at Pt. Reyes, California, United States, in 2005 to provide statistically robust measures of ACI and to characterize the variability of the measures based on variability in environmental conditions and observational approaches. The average ACIN (= dlnNd/dlna, the change in cloud drop number concentration with aerosol concentration) is 0.48, within a physically plausible range of 0–1.0. Values vary between 0.18 and 0.69 with dependence on (1) the assumption of constant cloud liquid water path (LWP), (2) the relative value of cloud LWP, (3) methods for retrieving Nd, (4) aerosol size distribution, (5) updraft velocity, and (6) the scale and resolution of observations. The sensitivity of the local, diurnally averaged radiative forcing to this variability in ACIN values, assuming an aerosol perturbation of 500 c-3 relative to a background concentration of 100 cm-3, ranges betwee-4 and -9 W -2. Further characterization of ACI and its variability is required to reduce uncertainties in global radiative forcing estimates.

The effect of surface heterogeneity on cloud absorption estimates

This study presents a systematic and quantitative analysis of the effect of inhomogeneous surface albedo on shortwave cloud absorption estimates. We used 3D radiative transfer modeling over a checkerboard surface albedo to calculate cloud absorption. We have found that accounting for surface heterogeneity enhances cloud absorption. However, the enhancement is not sufficient to explain the reported difference between measured and modeled cloud absorption.

Solving surface structures from normal incidence X-ray standing wave data

A program is provided to determine structural parameters of atoms in or adsorbed on surfaces by refinement of atomistic models towards experimentally determined data generated by the normal incidence X-ray standing wave (NIXSW) technique. The method employs a combination of Differential Evolution Genetic Algorithms and Steepest Descent Line Minimisations to provide a fast, reliable and user friendly tool for experimentalists to interpret complex multidimensional NIXSW data sets.

Flow-induced dynamic surface tension effects at nanoscale

The aim of this study is to investigate flow-induced dynamic surface tension effects, similar to the well-known Marangoni phenomena, but solely generated by the nanoscale topography of the substrates. The flow-induced surface tension effects are examined on the basis of a sharp interface theory. It is demonstrated how nanoscale objects placed at the boundary of the flow domain result in the generation of substantial surface forces acting on the bulk flow.

Coupling aerosol surface and bulk chemistry with a kinetic double layer model (K2-SUB): oxidation of oleic acid by ozone

We present a kinetic double layer model coupling aerosol surface and bulk chemistry (K2-SUB) based on the PRA framework of gas-particle interactions (Poschl-Rudich-Ammann, 2007). K2-SUB is applied to a popular model system of atmospheric heterogeneous chemistry: the interaction of ozone with oleic acid. We show that our modelling approach allows de-convoluting surface and bulk processes, which has been a controversial topic and remains an important challenge for the understanding and description of atmospheric aerosol transformation. In particular, we demonstrate how a detailed treatment of adsorption and reaction at the surface can be coupled to a description of bulk reaction and transport that is consistent with traditional resistor model formulations. From literature data we have derived a consistent set of kinetic parameters that characterise mass transport and chemical reaction of ozone at the surface and in the bulk of oleic acid droplets. Due to the wide range of rate coefficients reported from different experimental studies, the exact proportions between surface and bulk reaction rates remain uncertain. Nevertheless, the model results suggest an important role of chemical reaction in the bulk and an approximate upper limit of similar to 10(-11) cm(2) s(-1) for the surface reaction rate coefficient. Sensitivity studies show that the surface accommodation coefficient of the gas-phase reactant has a strong non-linear influence on both surface and bulk chemical reactions. We suggest that K2-SUB may be used to design, interpret and analyse future experiments for better discrimination between surface and bulk processes in the oleic acid-ozone system as well as in other heterogeneous reaction systems of atmospheric relevance.