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At least 1,693 records · Page 94

Heavy metal imprints in Antarctic snow from research and tourism

Antarctica, long regarded as one of the last pristine environments on Earth, is increasingly affected by human activity. As tourism surges and scientific operations expand, air pollution from local emissions is raising new environmental concerns. Here, in this study, we analyze surface snow samples collected along a ~2,000 km transect, from the South Shetland Islands (62°S) to the Ellsworth Mountains (79°S), to map the geochemical fingerprints of aerosol deposition. We identify distinct spatial patterns shaped by crustal, marine, biogenic, and anthropogenic sources. Notably, we detect heavy metal imprints in the snow chemistry of the northern Antarctic Peninsula, where major research stations are concentrated and marine tourism traffic is most intense. Our findings shed light on the extent of the impacts from energy-intensive local activities in Antarctica, underscoring the need for enhanced environmental monitoring and sustainable management strategies in this fragile region.

Cordero, Raúl R. [Univ. of Groningen, Leeuwarden (↗

Precursory signatures of protein folding/unfolding: From time series correlation analysis to atomistic mechanisms

Folded conformations of proteins in thermodynamically stable states have long lifetimes. Before it folds into a stable conformation, or after unfolding from a stable conformation, the protein will generally stray from one random conformation to another leading thus to rapid fluctuations. Brief structural changes therefore occur before folding and unfolding events. These short-lived movements are easily overlooked in studies of folding/unfolding for they represent momentary excursions of the protein to explore conformations in the neighborhood of the stable conformation. The present study looks for precursory signatures of protein folding/unfolding within these rapid fluctuations through a combination of three techniques: (1) ultrafast shape recognition, (2) time series segmentation, and (3) time series correlation analysis. The first procedure measures the differences between statistical distance distributions of atoms in different conformations by calculating shape similarity indices from molecular dynamics simulation trajectories. The second procedure is used to discover the times at which the protein makes transitions from one conformation to another. Finally, we employ the third technique to exploit spatial fingerprints of the stable conformations; this procedure is to map out the sequences of changes preceding the actual folding and unfolding events, since strongly correlated atoms in different conformations are different due to bond and steric constraints. The aforementioned high-frequency fluctuations are therefore characterized by distinct correlational and structural changes that are associated with rate-limiting precursors that translate into brief segments. Guided by these technical procedures, we choose a model system, a fragment of the protein transthyretin, for identifying in this system not only the precursory signatures of transitions associated with α helix and β hairpin, but also the important role played by weaker correlations in such protein folding dynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Impact of hyperbolicity on chimera states in ensembles of nonlocally coupled chaotic oscillators

In this work we analyse nonlocally coupled networks of identical chaotic oscillators. We study both time-discrete and time-continuous systems (Henon map, Lozi map, Lorenz system). We hypothesize that chimera states, in which spatial domains of coherent (synchronous) and incoherent (desynchronized) dynamics coexist, can be obtained only in networks of chaotic non-hyperbolic systems and cannot be found in networks of hyperbolic systems. This hypothesis is supported by numerical simulations for hyperbolic and non-hyperbolic cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Self-consistent modeling of electrochemical strain microscopy of solid electrolytes

Electrochemical strain microscopy (ESM) employs a strong electromechanical coupling in solid ionic conductors to map ionic transport and electrochemical processes with nanometer-scale spatial resolution. To elucidate the mechanisms of the ESM image formation, we performed self-consistent numerical modeling of the electromechanical response in solid electrolytes under the probe tip in a linear, small-signal regime using the Boltzmann–Planck–Nernst–Einstein theory and Vegard's law while taking account of the electromigration and diffusion. We identified the characteristic time scales involved in the formation of the ESM response and found that the dynamics of the charge carriers in the tip-electrolyte system with blocking interfaces can be described as charging of the diffuse layer at the tip-electrolyte interface through the tip contact spreading resistance. At the high frequencies used in the detection regime, the distribution of the charge carriers under the tip is governed by evanescent concentration waves generated at the tip-electrolyte interface. The ion drift length in the electric field produced by the tip determines the ESM response at high frequencies, which follows a 1/f asymptotic law. The electronic conductivity, as well as the electron transport through the electrode-electrolyte interface, do not have a significant effect on the ESM signal in the detection regime. The results indicate, however, that for typical solid electrolytes at room temperature, the ESM response originates at and contains information about the very surface layer of a sample, and the properties of the one-unit-cell-thick surface layer may significantly contribute to the ESM response, implying a high surface sensitivity and a high lateral resolution of the technique. On the other hand, it follows that a rigorous analysis of the ESM signals requires techniques that account for the discrete nature of a solid.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mapping to Irregular Torus Topologies and Other Techniques for Petascale Biomolecular Simulation, In: SC '14: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis

Currently deployed petascale supercomputers typically use toroidal network topologies in three or more dimensions. While these networks perform well for topology-agnostic codes on a few thousand nodes, leadership machines with 20,000 nodes require topology awareness to avoid network contention for communication-intensive codes. Topology adaptation is complicated by irregular node allocation shapes and holes due to dedicated input/output nodes or hardware failure. In the context of the popular molecular dynamics program NAMD, we present methods for mapping a periodic 3-D grid of fixed-size spatial decomposition domains to 3-D Cray Gemini and 5-D IBM Blue Gene/Q toroidal networks to enable hundred-million atom full machine simulations, and to similarly partition node allocations into compact domains for smaller simulations using multiple copy algorithms. Additional enabling techniques are discussed and performance is reported for NCSA Blue Waters, ORNL Titan, ANL Mira, TACC Stampede, and NERSC Edison.

Computer Science↗

Nonlocal atlas-guided multi-channel forest learning for human brain labeling

Purpose: It is important for many quantitative brain studies to label meaningful anatomical regions in MR brain images. However, due to high complexity of brain structures and ambiguous boundaries between different anatomical regions, the anatomical labeling of MR brain images is still quite a challenging task. In many existing label fusion methods, appearance information is widely used. However, since local anatomy in the human brain is often complex, the appearance information alone is limited in characterizing each image point, especially for identifying the same anatomical structure across different subjects. Recent progress in computer vision suggests that the context features can be very useful in identifying an object from a complex scene. In light of this, the authors propose a novel learning-based label fusion method by using both low-level appearance features (computed from the target image) and high-level context features (computed from warped atlases or tentative labeling maps of the target image). Methods: In particular, the authors employ a multi-channel random forest to learn the nonlinear relationship between these hybrid features and target labels (i.e., corresponding to certain anatomical structures). Specifically, at each of the iterations, the random forest will output tentative labeling maps of the target image, from which the authors compute spatial label context features and then use in combination with original appearance features of the target image to refine the labeling. Moreover, to accommodate the high inter-subject variations, the authors further extend their learning-based label fusion to a multi-atlas scenario, i.e., they train a random forest for each atlas and then obtain the final labeling result according to the consensus of results from all atlases. Results: The authors have comprehensively evaluated their method on both public LONI-LBPA40 and IXI datasets. To quantitatively evaluate the labeling accuracy, the authors use the dice similarity coefficient to measure the overlap degree. Their method achieves average overlaps of 82.56% on 54 regions of interest (ROIs) and 79.78% on 80 ROIs, respectively, which significantly outperform the baseline method (random forests), with the average overlaps of 72.48% on 54 ROIs and 72.09% on 80 ROIs, respectively. Conclusions: The proposed methods have achieved the highest labeling accuracy, compared to several state-of-the-art methods in the literature.

61 RADIATION PROTECTION AND DOSIMETRY↗

Quantitative assessments of water-use efficiency in Temperate Eurasian Steppe along an aridity gradient

Water-use efficiency (WUE), defined as the ratio of net primary productivity (NPP) to evapotranspiration (ET), is an important indicator to represent the trade-off pattern between vegetation productivity and water consumption. Its dynamics under climate change are important to ecohydrology and ecosystem management, especially in the drylands. In this study, we modified and used a late version of Boreal Ecosystem Productivity Simulator (BEPS), to quantify the WUE in the typical dryland ecosystems, Temperate Eurasian Steppe (TES). The Aridity Index (AI) was used to specify the terrestrial water availability condition. The regional results showed that during the period of 1999–2008, the WUE has a clear decreasing trend in the spatial distribution from arid to humid areas. The highest annual average WUE was in dry and semi-humid sub-region (DSH) with 0.88 gC mm-1 and the lowest was in arid sub-region (AR) with 0.22 gC mm-1. A two-stage pattern of WUE was found in TES. That is, WUE would enhance with lower aridity stress, but decline under the humid environment. Over 65% of the region exhibited increasing WUE. This enhancement, however, could not indicate that the grasslands were getting better because the NPP even slightly decreased. It was mainly attributed to the reduction of ET over 70% of the region, which is closely related to the rainfall decrease. The results also suggested a similar negative spatial correlation between the WUE and the mean annual precipitation (MAP) at the driest and the most humid ends. This regional pattern reflected the different roles of water in regulating the terrestrial ecosystems under different aridity levels. This study could facilitate the understanding of the interactions between terrestrial carbon and water cycles, and thus contribute to a sustainable management of nature resources in the dryland ecosystems.

54 ENVIRONMENTAL SCIENCES↗

Evaluating the Impact of Redox Potential on the Corrosion of Q125, 316L, and C276 Steel in Low-Temperature Geothermal Systems

Time series experiments were used to explore the fluid redox impact on the corrosion of Q125, 316L, and C276 steels in low-ionic-strength and neutral water at temperature and pressure conditions associated with low-temperature geothermal systems. After exposing polished samples of each steel grade to an oxidizing (H2O2) and a reducing (Zn-doped) fluid for intervals of 24 h, 1 week, and 6 weeks, the atomic force microscopy results revealed general corrosion for Q125, while 316L and C276 exhibited pitting, crevice expansion, and edge attack corrosion. Secondary depositional features are frequently found as topographic highs, adjacent to pitting corrosion. These features may be identified as there is a very strong spatial correlation between the height retrace and phase retrace surface maps. All steels became progressively rougher over time after exposure to both fluids, while the corrosion rates were more complex. Samples exposed to the reducing fluid experienced an increase in the corrosion rate over time, while C276 and 316L experienced a decrease in the corrosion rate. Finally, a novel data validation technique was developed to address the intrinsic scalability of corrosion. The results indicate that the AFM scan area does not affect the measured surface roughness over nearly three orders of magnitude.

Bowman, Samuel (ORCID:000000021510174X)↗

Sea-surface temperature and salinity mapping from remote microwave radiometric measurements of brightness temperature

A technique to measure remotely sea surface temperature and salinity was demonstrated with a dual frequency microwave radiometer system. Accuracies in temperature of 1 C and in salinity of part thousand for salinity greater than 5 parts per thousand were attained after correcting for the influence of extraterrestrial background radiation, atmospheric radiation and attenuation, sea-surface roughness, and antenna beamwidth. The radiometers, operating at 1.43 and 2.65 GHz, comprise a third-generation system using null balancing and feedback noise injection. Flight measurements from an aircraft at an altitude of 1.4 km over the lower Chesapeake Bay and coastal areas of the Atlantic Ocean resulted in contour maps of sea-surface temperature and salinity with a spatial resolution of 0.5 km.

Hans-Juergen, C. B.↗

The Cancer Cluster - An unbound collection of groups

A surface density contour map of the Cancer Cluster derived from galaxy counts in the Zwicky catalog is presented. The contour map shows that the galaxy distribution is clumpy. When this spatial distribution is combined with nearly complete velocity information, the clumps stand out more clearly; there are significant differences in the mean velocities of the clumps which exceed their internal velocity dispersions. The Cancer Cluster is not a proper 'cluster' but is a collection of discrete groups, each with a velocity dispersion of approximately 300 km/s, separating from one another with the cosmological flow. The mass-to-light ratio for galaxies in the main concentration is approximately 320 solar masses/solar luminosities (H sub 0 = 100 km/s Mpc).

Geller, M. J.↗

Water resources by orbital remote sensing: Examples of applications

Selected applications of orbital remote sensing to water resources undertaken by INPE are described. General specifications of Earth application satellites and technical characteristics of LANDSAT 1, 2, 3, and 4 subsystems are described. Spatial, temporal and spectral image attributes of water as well as methods of image analysis for applications to water resources are discussed. Selected examples are referred to flood monitoring, analysis of water suspended sediments, spatial distribution of pollutants, inventory of surface water bodies and mapping of alluvial aquifers.

Martini, P. R.↗

Magsat equivalent source anomalies over the southeastern United States - Implications for crustal magnetization

The Magsat crustal anomaly field depicts a previously-unidentified long-wavelength negative anomaly centered over southeastern Georgia. Examination of Magsat ascending and descending passes clearly identifies the anomalous region, despite the high-frequency noise present in the data. Using ancillary seismic, electrical conductivity, Bouguer gravity, and aeromagnetic data, a preliminary model of crustal magnetization for the southern Appalachian region is presented. A lower crust characterized by a pervasive negative magnetization contrast extends from the New York-Alabama lineament southeast to the Fall Line. In southern Georgia and eastern Alabama (coincident with the Brunswick Terrane), the model calls for lower crustal magnetization contrast of -2.4 A/m; northern Georgia and the Carolinas are modeled with contrasts of -1.5 A/m. Large-scale blocks in the upper crust which correspond to the Blue Ridge, Charlotte belt, and Carolina Slate belt, are modeled with magnetization contrasts of -1.2 A/m, 1.2 A/m, and 1.2 A/m respectively. The model accurately reproduces the amplitude of the observed low in the equivalent source Magsat anomaly field calculated at 325 km altitude and is spatially consistent with the 400 km lowpass-filtered aeromagnetic map of the region.

Ruder, M. E.↗

Solar magnetic fields measurements with a magneto-optical filter

The presence of a magnetic field at different levels inside the sun has crucial implications for helioseismology. The solar oscillation observing program carried out since 1983 at Mt. Wilson with Cacciani magneto-optical filter has recently been modified to acquire full-disk magnetograms with 2 arcsec spatial resolution. A method for the correct determination of magnetic maps which are free of contamination by velocity signal is presented. It is shown that no cross-talk exists between the Doppler and Zeeman shifts of the Na D lines, provided that instrumental polarization effects are taken into account. The observed line-of-sight photospheric field was used to map the vector field in the inner corona, above active regions, in the current free approximation.

Cacciani, A.↗

Periodically spaced fragmentation in Orion A

Evidence is found for periodic density structure in the highly fragmented interior of the Orion A molecular cloud from analysis of a large scale map of C(O-18) J = 1 - 0 emission. The spatial wavelength is about 1 parsec, and extends at least over 2 degrees along the main filament of Orion A and is also observed in other filamentary structures in Orion. This periodicity in the clumps is a result of externally triggered and magnetically mediated cloud collapse and fragmentation.

Dutrey, A.↗

A search for ultraviolet circumstellar gas absorption features in alpha Piscis Austrinus (Fomalhaut), a possible Beta Pictoris-like system

Archival high-dispersion International Ultraviolet Explorer (IUE) spectra have been used to search for circumstellar gas absorption features in alpha PsA (A3 V), a nearby (6.7 pc) proto-planetary system candidate. Recent sub-millimeter mapping observations around the region of alpha PsA indicate a spatially resolved dust disk like the one seen around Beta Pic. To determine how closely this putative disk resembles that of Beta Pic, we have searched for signatures of circumstellar gaseous absorption in all the available IUE high-dispersion data of alpha PsA. Examination of co-added IUE spectra shows weak circumstellar absorptions from excited levels in the resonance multiplet of Fe II near 2600 A. We also conclude that the sharp C I feature near 1657 A, previously identified as interstellar absorption toward alpha PsA, likely has a circumstellar origin. However, because the weakness of these absorption features, we will consider the presence of circumstellar gas as tentative and should be verified by using the Goddard High-Resolution Spectrograph aboard the Hubble Space Telescope. No corresponding circumstellar absorption is detected in higher ionization Fe III and Al III. Since the collisionally ionized nonphotospheric Al III resonance absorption seen in Beta Pic is likely formed close to the stellar surface, its absence in the UV spectra of alpha PsA could imply that, in contrast with Beta Pic, there is no active gaseous disk infall onto the central star. In the alpha PsA gaseous disk, if we assume a solar abundance for iron and all the iron is in the form of Fe II, plus a disk temperature of 5000 K, the Fe II UV1 absorption at 2611.8743 A infers a total hydrogen column density along the line of sight through the circumstellar disk of N(H) approximately equals 3.8 x 10(exp 17)/cm.

Cheng, K.-P.↗

Predictions of the On-Orbit Performance of AXAF's Optics

The AXAF optics and science instruments have recently undergone a battery of tests at the Marshall Space Flight Center X-Ray Calibration Facility to determine their spatial and spectral performance. We have combined these data, detailed maps of the optics, surfaces, precise measurements of surface roughness and reflectivity, and detailed mechanical models of the optics and their support structures to arrive at predictions of the optics' on-orbit performance. We present on- and off-axis effective areas, encircled energies, and PSFS.

Jerius, D.↗

The Remote Sensing of Mineral Aerosols and Their Impact on Phytoplankton Productivity using Sea WiFS

The main objective of this proposal was to use SeaWiFs data to study the relationship between aerosols found in aeollan dust and photosynthesis of phytoplankton in open ocean surface waters. This project was a collaborative effort between myself and Dr. Neil Tindale at Texas A&M University and followed on our earlier funded proposal which had been designed as a proof-of-concept study to determine if ocean color sensors such as the Coastal Zone Color Scanner (CZCS) could be used to detect and map large-scale mineral aerosol plumes. Despite the large spatial and temporal gaps inherent in the CZCS data coverage, our results from this initial study indicated that an ocean color sensor could indeed be used to detect aerosols. These encouraging results led us to propose in this proposal the use of SeaWiFS data to study mineral aerosol transport and its impact on phytoplankton production. This proposal orignally intended to make use of SeaWiFS images, but as the launch delay of SeaWiFS dragged on, we had to make do with other satellite data sets. Thus, the focus of this proposal became the CSCS image archive instead. I detail my results and accomplishments with this data set.

Stegmann, Petra M.↗

Computation of Transonic Flows Using Potential Methods

The proposed paper will describe the state of the art associated with numerical solution of the full or exact velocity potential equation for solving transonic, external-aerodynamic flows. The presentation will begin with a review of the literature emphasizing research activities of the past decade. Next, the various forms of the full or exact velocity potential equation, the equation's corresponding mathematical characteristics, and the derivation assumptions will be presented and described in detail. Impact of the derivation assumptions on simulation accuracy, especially with respect to shock wave capture, will be presented and discussed relative to the more complete Euler or Navier-Stokes formulations. The technical presentation will continue with a description of recently developed full potential numerical approach characteristics. This description will include governing equation nondimensionalization, physical-to-computational-domain mapping procedures, a limited description of grid generation requirements, the spatial discretization scheme, numerical implementation of boundary conditions, and the iteration scheme. The next portion of the presentation will present and discuss numerical results for several two- and three-dimensional aerodynamic applications. Included in the results section will be a discussion and demonstration of a typical grid refinement analysis for determining spatial convergence of the numerical solution and level of solution accuracy. Computer timings for a variety of full potential applications will be compared and contrasted with similar results for the Euler equation formulation. Finally. the presentation will end with concluding remarks and recommendations for future work.

Hoist, Terry L.↗