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At least 1,567 records · Page 87

Hydrogeochemical Modelling for Groundwater in Neyveli Aquifer, Tamil Nadu, India, Using PHREEQC: A Case Study

Sophisticated geochemical models have been used to describe and predict the chemical behaviour of complex natural waters and also to protect the groundwater resources from future contamination. One such model is used to study the hydrogeochemical complexity in a mine area. Extraction of groundwater from the coastal aquifer has been in progress for decades to mine lignite in Neyveli. This extraction has developed a cone of depression around the mine site. This cone of depression is well established by the geochemical nature of groundwater in the region. 42 groundwater samples were collected in a definite pattern and they were analysed for major cations, anions and trace elements. The saturation index (SI) of the groundwater for carbonate, sulphate and silica minerals was studied and it has been correlated with the recharge and the discharge regions. The SI of alumino silicates has been used to decipher the stage of weathering. The SI{sub Gibbsite} - SI{sub K-feldspar} has been spatially distributed and the regions of discharge and recharge were identified. Then two flow paths A1 and A2 were identified and inverse modelling using PHREEQC were carried out to delineate the geochemical process that has taken place from recharge to discharge. The initial and final solutions in both the flow paths were correlated with the thermodynamic silicate stability diagrams of groundwater and it was found that the state of thermodynamic stability of the end solutions along the flow path were approaching similar states of equilibrium at the discharge.

58 GEOSCIENCES↗

Variance of the quantum dwell time for a nonrelativistic particle

Munoz, Seidel, and Muga [Phys. Rev. A 79, 012108 (2009)], following an earlier proposal by Pollak and Miller [Phys. Rev. Lett. 53, 115 (1984)] in the context of a theory of a collinear chemical reaction, showed that suitable moments of a two-flux correlation function could be manipulated to yield expressions for the mean quantum dwell time and mean square quantum dwell time for a structureless particle scattering from a time-independent potential energy field between two parallel lines in a two-dimensional spacetime. The present work proposes a generalization to a charged, nonrelativistic particle scattering from a transient, spatially confined electromagnetic vector potential in four-dimensional spacetime. The geometry of the spacetime domain is that of the slab between a pair of parallel planes, in particular, those defined by constant values of the third (z) spatial coordinate. The mean Nth power, N= 1, 2, 3, Horizontal-Ellipsis , of the quantum dwell time in the slab is given by an expression involving an N-flux-correlation function. All these means are shown to be nonnegative. The N= 1 formula reduces to an S-matrix result published previously [G. E. Hahne, J. Phys. A 36, 7149 (2003)]; an explicit formula for N= 2, and of the variance of the dwell time in terms of the S-matrix, is worked out. A formula representing an incommensurability principle between variances of the output-minus-input flux of a pair of dynamical variables (such as the particle's time flux and others) is derived.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Dynamics of lithium ions in borotellurite mixed former glasses: Correlation between the characteristic length scales of mobile ions and glass network structural units

We have studied the mixed network former effect on the dynamics of lithium ions in borotellurite glasses in wide composition and temperature ranges. The length scales of ion dynamics, such as characteristic mean square displacement and spatial extent of sub-diffusive motion of lithium ions have been determined from the ac conductivity and dielectric spectra, respectively, in the framework of linear response theory. The relative concentrations of different network structural units have been determined from the deconvolution of the FTIR spectra. A direct correlation between the ion dynamics and the characteristic length scales and the relative concentration of BO{sub 4} units has been established for different compositions of the borotellurite glasses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Near-Edge X-ray Absorption Fine Structure Imaging of Spherical and Flat Counterfaces of Ultrananocrystalline Diamond Tribological Contacts: A Correlation of Surface Chemistry and Friction

A recently installed synchrotron radiation near-edge X-ray absorption fine structure (NEXAFS) full field imaging electron spectrometer was used to spatially resolve the chemical changes of both counterfaces from an ultra-nanocrystalline diamond (UNCD) tribological contact. A silicon flat and Si{sub 3}N{sub 4} sphere were both coated with UNCD, and employed to form two wear tracks on the flat in a linear reciprocating tribometer. The first wear track was produced using a new, unconditioned sphere whose surface was thus conditioned during this first experiment. This led to faster run-in and lower friction when producing a second wear track using the conditioned sphere. The large depth of field of the magnetically guided NEXAFS imaging detector enabled rapid, large area spectromicroscopic imaging of both the spherical and flat surfaces. Laterally resolved NEXAFS data from the tribological contact area revealed that both substrates had an as-grown surface layer that contained a higher fraction of sp{sup 2}-bonded carbon and oxygen which was mechanically removed. Unlike the flat, the film on the sphere showed evidence of having graphitic character, both before and after sliding. These results show that the graphitic character of the sphere is not solely responsible for low friction and short run-in. Rather, conditioning the sphere, likely by removing asperities and passivating dangling bonds, leads to lower friction with less chemical modification of the substrate in subsequent tests. The new NEXAFS imaging spectroscopy detector enabled a more complete understanding of the tribological phenomena by imaging, for the first time, the surface chemistry of the spherical counterface which had been in continual contact during wear track formation.

36 MATERIALS SCIENCE↗

OBSERVATION OF THE FAR-ULTRAVIOLET CONTINUUM BACKGROUND WITH SPEAR/FIMS

We present the general properties of the far-ultraviolet (FUV; 1370-1710 A) continuum background over most of the sky, obtained with the Spectroscopy of Plasma Evolution from Astrophysical Radiation (SPEAR) instrument (also known as FIMS), flown aboard the STSAT-1 satellite mission. We find that the diffuse FUV continuum intensity is well correlated with N{sub HI}, 100 {mu}m, and H{alpha} intensities but anti-correlated with soft X-ray intensity. The correlation of the diffuse background with the direct stellar flux is weaker than the correlation with other parameters. The continuum spectra are relatively flat. However, a weak softening of the FUV spectra toward some sight lines, mostly at high Galactic latitudes, is found not only in direct stellar but also in diffuse background spectra. The diffuse background is relatively softer than the direct stellar spectrum. We also find that the diffuse FUV background averaged over the sky has a bit softer spectrum compared to direct stellar radiation. A map of the ratio of 1370-1520 A to 1560-1710 A band intensity shows that the sky is divided into roughly two parts. However, this map shows a lot of patchy structures on small scales. The spatial variation of the hardness ratio seems to be largely determined by the longitudinal distribution of OB-type stars in the Galactic plane. A correlation of the hardness ratio with the FUV intensity is found at high intensities but an anti-correlation is found at low intensities. We also find evidence that the FUV intensity distribution is log-normal in nature.

79 ASTRONOMY AND ASTROPHYSICS↗

Scalable Parallel Measurement of Individual Nitrogen-Vacancy Centers

The nitrogen-vacancy (NV) center in diamond is a solid-state spin defect that has been widely adopted for quantum sensing and quantum information processing applications. Typically, experiments are performed either with a single isolated NV center or with an unresolved ensemble of many NV centers, resulting in a trade-off between measurement speed and spatial resolution or control over individual defects. In this work, we introduce an experimental platform that bypasses this trade-off by addressing multiple optically resolved NV centers in parallel. We perform charge- and spin-state manipulations selectively on multiple NV centers from within a larger set, and we manipulate and measure the electronic spin states of over 100 NV centers in parallel. We show that the high signal-to-noise ratio of the measurements enables the detection of shot-to-shot pairwise correlations between the spin states of 108 NV centers, corresponding to the simultaneous measurement of 5778 unique correlation coefficients. We discuss how our platform can be scaled to parallel experiments with thousands of individually resolved NV centers. These results enable parallelized high-throughput sensing experiments that retain the spatial resolution of single defects and will, thereby, help to unlock advances in applications such as single-molecule NMR and characterization of integrated circuits. In addition, our approach to multiplexing provides a natural platform for the application of recently developed correlated sensing techniques.

NV centers↗

Correlation of Spatiotemporal Dynamics of Polarization and Charge Transport in Blended Hybrid Organic–Inorganic Perovskites on Macro- and Nanoscales

Progress in flexible organic electronics necessitates a full understanding of how local inhomogeneities impact electronic and ionic conduction pathways and underlie macroscopic device characteristics. In this work, we used frequency- and time-resolved macro- and nanoprobe measurements to study spatiotemporal characteristics of multiscale charge transport dynamics in a series of ternary-blended hybrid organic inorganic perovskites (HOIPs) (MA 0.95– x FA x Cs 0.05 PbI 3 ). We show that A-site cation composition defines charge transport mechanisms across broad temporal (10 2 –10 –6 s) and spatial (millimeters–picometers) scales. Ab initio molecular dynamic simulations suggest that insertion of FA results in a dynamic lattice, improved ion transport, and dipole screening. We demonstrate that correlations between macro- and nanoscale measurements provide a pathway for accessing distribution of relaxation in nanoscale polarization and charge transport dynamics of ionically conductive functional perovskites.

36 MATERIALS SCIENCE↗

The heating of mid-infrared dust in the nearby galaxy M33: A testbed for tracing galaxy evolution

Infrared emission is an invaluable tool for quantifying star formation in galaxies. Because the 8 μm polycyclic aromatic hydrocarbon (PAH) emission has been found to correlate with other well-known star formation tracers, it has widely been used as a star formation rate (SFR) tracer. There are, however, studies that challenge the accuracy and reliability of the 8 μm emission as a SFR tracer. Our study, part of the Herschel (Herschel is an ESA space observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA) M33 Extended Survey (HERM33ES) open time key program, aims at addressing this issue by analyzing the infrared emission from the nearby spiral galaxy M33 at the high spatial scale of ∼75 pc. Combining data from the Herschel Space Observatory and the Spitzer Space Telescope, we find that the 8 μm emission is better correlated with the 250 μm emission, which traces cold interstellar gas, than with the 24 μm emission. Furthermore, the L(8)/L(250) ratio is more tightly correlated with the 3.6 μm emission, a tracer of evolved stellar populations and stellar mass, than with a combination of Hα and 24 μm emission, a tracer of SFR. The L(8)/L(24) ratio is highly depressed in 24 μm luminous regions, which correlate with known H II regions. We also compare our results with the dust emission models by Draine and Li. We confirm that the depression of 8 μm PAH emission near star-forming regions is higher than what is predicted by models; this is possibly an effect of increased stellar radiation from young stars destroying the dust grains responsible for the 8 μm emission as already suggested by other authors. We find that the majority of the 8 μm emission is fully consistent with heating by the diffuse interstellar medium, similar to what recently determined for the dust emission in M31 by Draine et al. We also find that the fraction of 8 μm emission associated with the diffuse interstellar radiation field ranges between ∼60% and 80% and is 40% larger than the diffuse fraction at 24 μm.

79 ASTRONOMY AND ASTROPHYSICS↗

Cosmological radio emission induced by WIMP Dark Matter

We present a detailed analysis of the radio synchrotron emission induced by WIMP dark matter annihilations and decays in extragalactic halos. We compute intensity, angular correlation, and source counts and discuss the impact on the expected signals of dark matter clustering, as well as of other astrophysical uncertainties as magnetic fields and spatial diffusion. Bounds on dark matter microscopic properties are then derived, and, depending on the specific set of assumptions, they are competitive with constraints from other indirect dark matter searches. At GHz frequencies, dark matter sources can become a significant fraction of the total number of sources with brightness below the microJansky level. We show that, at this level of fluxes (which are within the reach of the next-generation radio surveys), properties of the faint edge of differential source counts, as well as angular correlation data, can become an important probe for WIMPs.

79 ASTRONOMY AND ASTROPHYSICS↗

A Multivariate Dynamic Spatial Factor Model for Speciated Pollutants and Adverse Birth Outcomes

Evidence suggests that exposure to elevated concentrations of air pollution during pregnancy is associated with increased risks of birth defects and other adverse birth outcomes. While current regulations put limits on total PM2.5 concentrations, there are many speciated pollutants within this size class that likely have distinct effects on perinatal health. However, due to correlations between these speciated pollutants, it can be difficult to decipher their effects in a model for birth outcomes. To combat this difficulty, we develop a multivariate spatio-temporal Bayesian model for speciated particulate matter using dynamic spatial factors. These spatial factors can then be interpolated to the pregnant women’s homes to be used to model birth defects. The birth defect model allows the impact of pollutants to vary across different weeks of the pregnancy in order to identify susceptible periods. Here, the proposed methodology is illustrated using pollutant monitoring data from the Environmental Protection Agency and birth records from the National Birth Defect Prevention Study.

54 ENVIRONMENTAL SCIENCES↗

CHARACTERIZING ULTRAVIOLET AND INFRARED OBSERVATIONAL PROPERTIES FOR GALAXIES. I. INFLUENCES OF DUST ATTENUATION AND STELLAR POPULATION AGE

The correlation between infrared-to-ultraviolet luminosity ratio and ultraviolet color (or ultraviolet spectral slope), i.e., the IRX-UV (or IRX-{beta}) relation, found in studies of starburst galaxies is a prevalent recipe for correcting extragalactic dust attenuation. Considerable dispersion in this relation discovered for normal galaxies, however, complicates its usability. In order to investigate the cause of the dispersion and to have a better understanding of the nature of the IRX-UV relation, in this paper, we select five nearby spiral galaxies, and perform spatially resolved studies on each of the galaxies, with a combination of ultraviolet and infrared imaging data. We measure all positions within each galaxy and divide the extracted regions into young and evolved stellar populations. By means of this approach, we attempt to discover separate effects of dust attenuation and stellar population age on the IRX-UV relation for individual galaxies. In this work, in addition to dust attenuation, stellar population age is interpreted to be another parameter in the IRX-UV function, and the diversity of star formation histories is suggested to disperse the age effects. At the same time, strong evidence shows the need for more parameters in the interpretation of observational data, such as variations in attenuation/extinction law. Fractional contributions of different components to the integrated luminosities of the galaxies suggest that the integrated measurements of these galaxies, which comprise different populations, would weaken the effect of the age parameter on IRX-UV diagrams. The dependence of the IRX-UV relation on luminosity and radial distance in galaxies presents weak trends, which offers an implication of selective effects. The two-dimensional maps of the UV color and the infrared-to-ultraviolet ratio are displayed and show a disparity in the spatial distributions between the two galaxy parameters, which offers a spatial interpretation of the scatter in the IRX-UV relation.

79 ASTRONOMY AND ASTROPHYSICS↗

REIONIZATION ON LARGE SCALES. I. A PARAMETRIC MODEL CONSTRUCTED FROM RADIATION-HYDRODYNAMIC SIMULATIONS

We present a new method for modeling inhomogeneous cosmic reionization on large scales. Utilizing high-resolution radiation-hydrodynamic simulations with 2048{sup 3} dark matter particles, 2048{sup 3} gas cells, and 17 billion adaptive rays in a L = 100 Mpc h {sup –1} box, we show that the density and reionization redshift fields are highly correlated on large scales (∼> 1 Mpc h {sup –1}). This correlation can be statistically represented by a scale-dependent linear bias. We construct a parametric function for the bias, which is then used to filter any large-scale density field to derive the corresponding spatially varying reionization redshift field. The parametric model has three free parameters that can be reduced to one free parameter when we fit the two bias parameters to simulation results. We can differentiate degenerate combinations of the bias parameters by combining results for the global ionization histories and correlation length between ionized regions. Unlike previous semi-analytic models, the evolution of the reionization redshift field in our model is directly compared cell by cell against simulations and performs well in all tests. Our model maps the high-resolution, intermediate-volume radiation-hydrodynamic simulations onto lower-resolution, larger-volume N-body simulations (∼> 2 Gpc h {sup –1}) in order to make mock observations and theoretical predictions.

79 ASTRONOMY AND ASTROPHYSICS↗

Asynchrony among local communities stabilises ecosystem function of metacommunities

Temporal stability of ecosystem functioning increases the predictability and reliability of ecosystem services, and understanding the drivers of stability across spatial scales is important for land management and policy decisions. We used species-level abundance data from 62 plant communities across five continents to assess mechanisms of temporal stability across spatial scales. We assessed how asynchrony (i.e. different units responding dissimilarly through time) of species and local communities stabilised metacommunity ecosystem function. Asynchrony of species increased stability of local communities, and asynchrony among local communities enhanced metacommunity stability by a wide range of magnitudes (1–315%); this range was positively correlated with the size of the metacommunity. Additionally, asynchronous responses among local communities were linked with species’ populations fluctuating asynchronously across space, perhaps stemming from physical and/or competitive differences among local communities. Accordingly, we suggest spatial heterogeneity should be a major focus for maintaining the stability of ecosystem services at larger spatial scales.

59 BASIC BIOLOGICAL SCIENCES↗

Theory and application of the vector pair correlation function for real-space crystallographic analysis of order/disorder correlations from STEM images

Deviations of local structure and chemistry from the average crystalline unit cell are increasingly recognized to have a significant influence on the properties of many technologically important materials. Here, we present the vector pair correlation function (vPCF) as a new real-space crystallographic analysis method, which can be applied to atomic-resolution scanning transmission electron microscopy (STEM) images to quantify and analyze structural order/disorder correlations. Our STEM-based vPCFs have several advantages over radial PCFs and/or 3D pair distribution functions from x-ray total scattering: vPCFs explicitly retain crystallographic orientation information, are spatially resolved, can be applied directly on a sublattice basis, and are suitable for any material that can be imaged with STEM. To show the utility of our approach, we measure partial vPCFs in Ba 5 SmSn 3 Nb 7 O 30 (BSSN), a tetragonal tungsten bronze (TTB) structured complex oxide. Many TTBs are known to be classical or relaxor ferroelectrics, and these properties have been correlated with the presence of superlattice ordering. BSSN, specifically, exhibits relaxor behavior and an incommensurate structural modulation. From the vPCF data, we observe that, of the cation sites, only the Ba (A2) sublattice is structurally modulated. We then infer the local modulation vector and reveal a marked anisotropy in its correlation length. Finally, short-range correlated polar displacements on the B2 cation sites are observed. This work introduces the vPCF as a powerful real-space crystallography technique, which enables direct, robust quantification of short-to-long range order on a sublattice-specific basis and is applicable to a wide range of complex material types.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Bad Metallic Transport in a Modified Hubbard Model

Strongly correlated metals often display anomalous transport, including T -linear resistivity above the Mott-Ioffe-Regel limit. We introduce a tractable microscopic model for bad metals, by restoring in the well-known Hubbard model—with hopping t and on-site repulsion U —a “screened Coulomb” interaction between charge densities that decays exponentially with spatial separation. This interaction lifts the extensive degeneracy in the spectrum of the t = 0 Hubbard model, allowing us to fully characterize the small t electric, thermal, and thermoelectric transport in our strongly correlated model. Throughout the phase diagram we observe T -linear resistivity above the Mott-Ioffe-Regel limit, together with strong violation of the Wiedemann-Franz law and a large thermopower that can undergo sign change.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

ON INFRARED EXCESSES ASSOCIATED WITH Li-RICH K GIANTS

Infrared (IR) excesses around K-type red giants (RGs) have previously been discovered using Infrared Astronomy Satellite (IRAS) data, and past studies have suggested a link between RGs with overabundant Li and IR excesses, implying the ejection of circumstellar shells or disks. We revisit the question of IR excesses around RGs using higher spatial resolution IR data, primarily from the Wide-field Infrared Survey Explorer. Our goal was to elucidate the link between three unusual RG properties: fast rotation, enriched Li, and IR excess. Our sample of RGs includes those with previous IR detections, a sample with well-defined rotation and Li abundance measurements with no previous IR measurements, and a large sample of RGs asserted to be Li-rich in the literature; we have 316 targets thought to be K giants, about 40% of which we take to be Li-rich. In 24 cases with previous detections of IR excess at low spatial resolution, we believe that source confusion is playing a role, in that either (a) the source that is bright in the optical is not responsible for the IR flux, or (b) there is more than one source responsible for the IR flux as measured in IRAS. We looked for IR excesses in the remaining sources, identifying 28 that have significant IR excesses by ∼20 μm (with possible excesses for 2 additional sources). There appears to be an intriguing correlation in that the largest IR excesses are all in Li-rich K giants, though very few Li-rich K giants have IR excesses (large or small). These largest IR excesses also tend to be found in the fastest rotators. There is no correlation of IR excess with the carbon isotopic ratio, {sup 12}C/{sup 13}C. IR excesses by 20 μm, though relatively rare, are at least twice as common among our sample of Li-rich K giants. If dust shell production is a common by-product of Li enrichment mechanisms, these observations suggest that the IR excess stage is very short-lived, which is supported by theoretical calculations. Conversely, the Li-enrichment mechanism may only occasionally produce dust, and an additional parameter (e.g., rotation) may control whether or not a shell is ejected.

79 ASTRONOMY AND ASTROPHYSICS↗

Microscopic signatures of topology in twisted MoTe 2

In moiré materials with flat electronic bands and suitable quantum geometry, strong correlations can give rise to various topological states of matter. The non-trivial band topology of twisted MoTe 2 , which is responsible for its fractional quantum anomalous Hall states, is predicted to arise from a skyrmion lattice texture in the layer pseudospin of the electronic wavefunctions. Tracing the layer polarization of wavefunctions within the moiré unit cell can, thus, offer insights into the band topology. Here we measure the out-of-plane component of the layer-pseudospin skyrmion textures of twisted MoTe 2 using scanning tunnelling microscopy and spectroscopy. We do this by simultaneously visualizing the moiré lattice structure and the spatial localization of its electronic states. We find that the wavefunctions associated with the topological flat bands exhibit a spatially dependent layer polarization within the moiré unit cell, in agreement with our theoretical modelling. Furthermore, our work enables future local probe studies of the intertwined correlated and topological states arising in gate-tunable devices.

Electronic properties and materials↗

EXAMINING THE RADIO-LOUD/RADIO-QUIET DICHOTOMY WITH NEW CHANDRA AND VLA OBSERVATIONS OF 13 UGC GALAXIES

We present the results from new {approx}15 ks Chandra-ACIS and 4.9 GHz Very Large Array (VLA) observations of 13 galaxies hosting low-luminosity active galactic nuclei (AGNs). This completes the multiwavelength study of a sample of 51 nearby early-type galaxies described in Capetti and Balmaverde and Balmaverde and Capetti. The aim of the three previous papers was to explore the connection between the host galaxies and AGN activity in a radio-selected sample. We detect nuclear X-ray emission in eight sources and radio emission in all but one (viz., UGC 6985). The new VLA observations improve the spatial resolution by a factor of 10: the presence of nuclear radio sources in 12 of the 13 galaxies confirms their AGN nature. As previously indicated, the behavior of the X-ray and radio emission in these sources depends strongly on the form of their optical surface brightness profiles derived from Hubble Space Telescope imaging, i.e., on their classification as 'core', 'power-law', or 'intermediate' galaxies. With more than twice the number of 'power-law' and 'intermediate' galaxies compared to previous work, we confirm with a much higher statistical significance that these galaxies lie well above the radio-X-ray correlation established in Fanaroff-Riley type I radio galaxies and the low-luminosity 'core' galaxies. This result highlights the fact that the 'radio-loud/radio-quiet' dichotomy is a function of the host galaxy's optical surface brightness profile. We present radio-optical-X-ray spectral indices for all 51 sample galaxies. Survival statistics point to significant differences in the radio-to-optical and radio-to-X-ray spectral indices between the 'core' and 'power-law galaxies (Gehan's Generalized Wilcoxon test probability p for the two classes being statistically similar is <10{sup -5}), but not in the optical-to-X-ray spectral indices (p = 0.25). Therefore, the primary difference between the 'core' and 'power-law' galaxies is in their ability to launch powerful radio outflows. This result is consistent with the hypothesis of different formation processes and evolution histories in 'core' and 'power-law' galaxies: major mergers are likely to have created 'core' galaxies, while minor mergers were instrumental in the creation of 'power-law' galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗