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At least 1,135 records · Page 63

Structure, thermodynamic properties, and phase diagrams of few colloids confined in a spherical pore

We study a system of few colloids confined in a small spherical cavity with event driven molecular dynamics simulations in the canonical ensemble. The colloidal particles interact through a short range square-well potential that takes into account the basic elements of attraction and excluded-volume repulsion of the interaction among colloids. We analyze the structural and thermodynamic properties of this few-body confined system in the framework of inhomogeneous fluids theory. Pair correlation function and density profile are used to determine the structure and the spatial characteristics of the system. Pressure on the walls, internal energy, and surface quantities such as surface tension and adsorption are also analyzed for a wide range of densities and temperatures. We have characterized systems from 2 to 6 confined particles, identifying distinctive qualitative behavior over the thermodynamic plane T − ρ, in a few-particle equivalent to phase diagrams of macroscopic systems. Applying the extended law of corresponding states, the square well interaction is mapped to the Asakura-Oosawa model for colloid-polymer mixtures. We link explicitly the temperature of the confined square-well fluid to the equivalent packing fraction of polymers in the Asakura-Oosawa model. Using this approach, we study the confined system of few colloids in a colloid-polymer mixture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Visualizing electron localization of WS 2 /WSe 2 moiré superlattices in momentum space

The search for materials with flat electronic bands continues due to their potential to drive strong correlation and symmetry breaking orders. Electronic moirés formed in van der Waals heterostructures have proved to be an ideal platform. However, there is no holistic experimental picture for how superlattices modify electronic structure. By combining spatially resolved angle-resolved photoemission spectroscopy with optical spectroscopy, we report the first direct evidence of how strongly correlated phases evolve from a weakly interacting regime in a transition metal dichalcogenide superlattice. By comparing short and long wave vector moirés, we find that the electronic structure evolves into a highly localized regime with increasingly flat bands and renormalized effective mass. The flattening is accompanied by the opening of a large gap in the spectral function and splitting of the exciton peaks. These results advance our understanding of emerging phases in moiré superlattices and point to the importance of interlayer physics.

36 MATERIALS SCIENCE↗

Modeling the influence of preferential flow on the spatial variability and time-dependence of mineral weathering rates

Inferences of weathering rates from laboratory and field observations suggest significant scale and time-dependence. Preferential flow induced by heterogeneity (manifest as permeability variations or discrete fractures) has been suggested as one potential mechanism causing scale/time-dependence. In this paper, we present a quantitative evaluation of the influence of preferential flow on weathering rates using reactive transport modeling. Simulations were performed in discrete fracture networks (DFNs) and correlated random permeability fields (CRPFs), and compared to simulations in homogeneous permeability fields. The simulations reveal spatial variability in the weathering rate, multidimensional distribution of reactions zones, and the formation of rough weathering interfaces and corestones due to preferential flow. In the homogeneous fields and CRPFs, the domain-averaged weathering rate is initially constant as long as the weathering front is contained within the domain, reflecting equilibrium-controlled behavior. The behavior in the CRPFs was influenced by macrodispersion, with more spread-out weathering profiles, an earlier departure from the initial constant rate and longer persistence of weathering. DFN simulations exhibited a sustained time-dependence resulting from the formation of diffusion-controlled weathering fronts in matrix blocks, which is consistent with the shrinking core mechanism. A significant decrease in the domain-averaged weathering rate is evident despite high remaining mineral volume fractions, but the decline does not follow a math formula dependence, characteristic of diffusion, due to network scale effects and advection-controlled behavior near the inflow boundary. Finally, the DFN simulations also reveal relatively constant horizontally averaged weathering rates over a significant depth range, challenging the very notion of a weathering front.

54 ENVIRONMENTAL SCIENCES↗

Process-Defect-Structure-Property Correlations During Laser Powder Bed Fusion of Alloy 718: Role of In Situ and Ex Situ Characterizations

Components made by laser powder bed fusion (L-PBF) additive processes require extensive trial and error optimization to minimize defects and arrive at targeted microstructure and properties. In this paper, in situ infrared thermography and ex situ surface roughness measurements were explored as methodologies to ensure Inconel ® 718-part quality. For a given laser energy of 200 Watts, prismatic samples were produced with different exposure times (80 to 110 µs) and point spacings (80 to 110 µm). The infrared intensities from laser–material interaction zones were measured spatially and temporally. The conditions leading to higher IR intensity and lowest surface roughness values correlated well with less porosity and coarse solidification grain structure. The transition from highly columnar to misoriented growth is attributed to changes in thermal gradients and liquid–solid interface velocities. Hardness measurements and electron microscopy of the as-processed and post-processed heat-treated samples show complex transitions in microstructural states including the heavily dislocated FCC matrix, reduction of dislocation density, and copious precipitation, respectively. These results show that the geometry-process-structure-property correlations are dynamic, and they cascade depending on the transitions of phase states from powder to liquid to solid, as well as phase decompositions and deformations within the solid FCC phase. Finally, validity of using analytical weld process models to describe the above phenomena is also highlighted.

36 MATERIALS SCIENCE↗

Depth-Resolved Modulation of Metal-Oxygen Hybridization and Orbital Polarization across Correlated Oxide Interfaces

Interface-induced modifications of the electronic, magnetic, and lattice degrees of freedom drive an array of novel physical properties in oxide heterostructures. Here, large changes in metal–oxygen band hybridization, as measured in the oxygen ligand hole density, are induced as a result of interfacing two isovalent correlated oxides. Using resonant X-ray reflectivity, a superlattice of SrFeO 3 and CaFeO 3 is shown to exhibit an electronic character that spatially evolves from strongly O-like in SrFeO 3 to strongly Fe-like in CaFeO 3 . This alternating degree of Fe electronic character is correlated with a modulation of an Fe 3d orbital polarization, giving rise to an orbital superstructure. At the SrFeO 3 /CaFeO 3 interfaces, the ligand hole density and orbital polarization reconstruct in a single unit cell of CaFeO 3 , demonstrating how the mismatch in these electronic parameters is accommodated at the interface. These results provide new insight into how the orbital character of electrons is altered by correlated oxide interfaces and lays out a broadly applicable approach for depth-resolving band hybridization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Anisotropic Lyman-alpha emission

As a result of resonant scatterings off hydrogen atoms, Lyα emission from star-forming galaxies provides a probe of the (hardly isotropic) neutral gas environment around them. We study the effect of the environmental anisotropy on the observed Lyα emission by performing radiative transfer calculations for models of neutral hydrogen clouds with prescriptions of spatial and kinematic anisotropies. The environmental anisotropy leads to corresponding anisotropy in the Lyα flux and spectral properties and induces correlations among them. The Lyα flux (or observed luminosity) depends on the viewing angle and shows an approximate correlation with the initial Lyα optical depth in the viewing direction relative to those in all other directions. The distribution of Lyα flux from a set of randomly oriented clouds is skewed to high values, providing a natural contribution to the Lyα equivalent width (EW) distribution seen in observation. A narrower EW distribution is found at a larger peak offset of the Lyα line, similar to the trend suggested in observation. The peak offset appears to correlate with the line shape (full width at half-maximum and asymmetry), pointing to a possibility of using Lyα line features alone to determine the systemic redshifts of galaxies. The study suggests that anisotropies in the spatial and kinematic distributions of neutral hydrogen can be an important ingredient in shaping the observed properties of Lyα emission from star-forming galaxies. We discuss the implications of using Lyα emission to probe the circumgalactic and intergalactic environments of galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

Deep view of the Large Magellanic Cloud with six years of Fermi -LAT observations

Context. The nearby Large Magellanic Cloud (LMC) provides a rare opportunity of a spatially resolved view of an external star-forming galaxy in -rays. The LMC was detected at 0.1–100 GeV as an extended source with CGRO/EGRET and using early observations with the Fermi-LAT. The emission was found to correlate with massive star-forming regions and to be particularly bright towards 30 Doradus. Aims. Studies of the origin and transport of cosmic rays (CRs) in the Milky Way are frequently hampered by line-of-sight confusion and poor distance determination. The LMC offers a complementary way to address these questions by revealing whether and how the -ray emission is connected to specific objects, populations of objects, and structures in the galaxy. Methods. We revisited the -ray emission from the LMC using about 73 months of Fermi-LAT P7REP data in the 0.2–100 GeV range. We developed a complete spatial and spectral model of the LMC emission, for which we tested several approaches: a simple geometrical description, template-fitting, and a physically driven model for CR-induced interstellar emission. Results. In addition to identifying PSR J0540-6919 through its pulsations, we find two hard sources positionally coincident with plerion N 157B and supernova remnant N 132D, which were also detected at TeV energies with H.E.S.S. We detect an additional soft source that is currently unidentified. Extended emission dominates the total flux from the LMC. It consists of an extended component of about the size of the galaxy and additional emission from three to four regions with degree-scale sizes. If it is interpreted as CRs interacting with interstellar gas, the large-scale emission implies a large-scale population of ~1–100GeV CRs with a density of ~30% of the local Galactic value. On top of that, the three to four small-scale emission regions would correspond to enhancements of the CR density by factors 2 to 6 or higher, possibly more energetic and younger populations of CRs compared to the large-scale population. An alternative explanation is that this is emission from an unresolved population of at least two dozen objects, such as pulsars and their nebulae or supernova remnants. This small-scale extended emission has a spatial distribution that does not clearly correlate with known components of the LMC, except for a possible relation to cavities and supergiant shells. Conclusions. The Fermi-LAT GeV observations allowed us to detect individual sources in the LMC. Three of the newly discovered sources are associated with rare and extreme objects. The 30 Doradus region is prominent in GeV -rays because PSR J0540-6919 and N 157B are strong emitters. The extended emission from the galaxy has an unexpected spatial distribution, and observations at higher energies and in radio may help to clarify its origin. Key words. Gamma

79 ASTRONOMY AND ASTROPHYSICS↗

A hydrological emulator for global applications – HE v1.0.0

Abstract. While global hydrological models (GHMs) are very useful in exploring water resources and interactions between the Earth and human systems, their use often requires numerous model inputs, complex model calibration, and high computation costs. To overcome these challenges, we construct an efficient open-source and ready-to-use hydrological emulator (HE) that can mimic complex GHMs at a range of spatial scales (e.g., basin, region, globe). More specifically, we construct both a lumped and a distributed scheme of the HE based on the monthly abcd model to explore the tradeoff between computational cost and model fidelity. Model predictability and computational efficiency are evaluated in simulating global runoff from 1971 to 2010 with both the lumped and distributed schemes. The results are compared against the runoff product from the widely used Variable Infiltration Capacity (VIC) model. Our evaluation indicates that the lumped and distributed schemes present comparable results regarding annual total quantity, spatial pattern, and temporal variation of the major water fluxes (e.g., total runoff, evapotranspiration) across the global 235 basins (e.g., correlation coefficient r between the annual total runoff from either of these two schemes and the VIC is >0.96), except for several cold (e.g., Arctic, interior Tibet), dry (e.g., North Africa) and mountainous (e.g., Argentina) regions. Compared against the monthly total runoff product from the VIC (aggregated from daily runoff), the global mean Kling–Gupta efficiencies are 0.75 and 0.79 for the lumped and distributed schemes, respectively, with the distributed scheme better capturing spatial heterogeneity. Notably, the computation efficiency of the lumped scheme is 2 orders of magnitude higher than the distributed one and 7 orders more efficient than the VIC model. A case study of uncertainty analysis for the world's 16 basins with top annual streamflow is conducted using 100 000 model simulations, and it demonstrates the lumped scheme's extraordinary advantage in computational efficiency. Our results suggest that the revised lumped abcd model can serve as an efficient and reasonable HE for complex GHMs and is suitable for broad practical use, and the distributed scheme is also an efficient alternative if spatial heterogeneity is of more interest.

Liu, Yaling↗

Got plenty of nothing: cosmic voids as a probe of particle dark matter

The search for a particle dark matter signal in terms of radiation produced by dark matter annihilation or decay has to cope with the extreme faintness of the predicted signal and the presence of masking astrophysical backgrounds. It has been shown that using the correlated information between the dark matter distribution in the Universe with the fluctuations of the cosmic radiation fields has the potential to allow setting apart a pure dark matter signal from astrophysical emissions, since spatial fluctuations in the radiation field due to astrophysical sources and dark matter emission have different features. The cross-correlation technique has been proposed and adopted for dark matter studies by looking at dark matter halos (overdensities). Here in this paper we extend the technique by focusing on the information on dark matter distribution offered by cosmic voids, and by looking specifically at the gamma-ray dark matter emission: we show that, while being underdense and therefore producing a reduced emission as compared to halos, nevertheless in voids the relative size of the cross-correlation signal due to decaying dark matter vs. astrophysical sources is significantly more favourable, producing signal-to-background ratios S/B (even significantly) larger than 1 for decay lifetimes up to 2 × 10 30 s. This is at variance with the case of halos, where S/B is typically (even much) smaller than 1. We show that forthcoming galaxy surveys such as Euclid combined with future generation gamma-ray detectors with improved specifications have the ability to provide a hint of such a signal with a predicted significance up to 5.7σ for galaxies and 1.6σ for the cosmic shear. The bound on the dark matter lifetime attainable exploiting voids is predicted to improve on current bounds in a mass range for the WIMP of 25 ÷ 900 GeV.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Ranking the importance of Wildfires' human drivers through a multi-model regression approach

Highlights: • Spatial variability of wildfire regimes is closely related to human activities. • Fire variables have different correlation structures with socioeconomic variables. • Rural poverty, economic disparities and social conflicts are associated to high fire risk. • Landscape structure, land-use and cropping systems influence local-scale fire regimes. • Local unemployment rates discriminate among different wildfire regimes. - Abstract: Wildfires are a major ecological disturbance in Mediterranean environments, and affect together natural resources, ecosystem services and human activities. The impact of socioeconomic forces on wildfire regimes is generally less investigated than the effects of biophysical drivers. Being grounded on a multi-model regression analysis of socioeconomic and territorial indicators, the present study identifies relevant factors influencing local-scale wildfires' regimes in Italy. An economically-disadvantaged context with persistent unemployment, rural poverty, social inequalities and population aging proved to be associated to more frequent fire events. Additionally, our analysis points out that occurrence, average size and density of wildfires reflect different correlation profiles with the local-scale socioeconomic context. Along with the socioeconomic profile of local communities, the empirical outcomes of our study show the importance of landscape structure, land-use and cropping systems in local-scale fire regimes. The empirical results of this study justify a multidimensional analysis of relevant socioeconomic dimensions in fire risk assessment and contribute to an informed approach to wildfire management. Moreover, our study provides basic knowledge advancing research on fire prevention, and informing spatial planning and developmental policies aimed at increasing preparedness to large fires.

54 ENVIRONMENTAL SCIENCES↗

Time-resolved correlative optical microscopy of charge-carrier transport, recombination, and space-charge fields in CdTe heterostructures

From time- and spatially resolved optical measurements, we show that extended defects can have a large effect on the charge-carrier recombination in II-VI semiconductors. In CdTe double heterostructures grown by molecular beam epitaxy on the InSb (100)-orientation substrates, we characterized the extended defects and found that near stacking faults the space-charge field extends by 2-5 μm. Charge carriers drift (with the space-charge field strength of 730-1,360 V cm -1 ) and diffuse (with the mobility of 260 ± 30 cm 2 V -1 s -1 ) toward the extended defects, where the minority-carrier lifetime is reduced from 560 ns to 0.25 ns. Furthermore, the extended defects are nonradiative recombination sinks that affect areas significantly larger than the typical crystalline grains in II-VI solar cells. From the correlative time-resolved photoluminescence and second-harmonic generation microscopy data, we developed a band-diagram model that can be used to analyze the impact of extended defects on solar cells and other electronic devices.

14 SOLAR ENERGY↗

INVESTIGATING THE CORE MORPHOLOGY-SEYFERT CLASS RELATIONSHIP WITH HUBBLE SPACE TELESCOPE ARCHIVAL IMAGES OF LOCAL SEYFERT GALAXIES

The unified model of active galactic nuclei (AGNs) has provided a successful explanation for the observed diversity of AGNs in the local universe. However, recent analysis of multi-wavelength spectral and image data suggests that the unified model is only a partial theory of AGNs, and may need to be augmented to remain consistent with all observations. Recent studies using high spatial resolution ground- and space-based observations of local AGNs show that Seyfert class and the ''core'' (r {approx}< 1 kpc) host-galaxy morphology are correlated. Currently, this relationship has only been established qualitatively, by visual inspection of the core morphologies of low-redshift (z < 0.035) Seyfert host galaxies. We re-establish this empirical relationship in Hubble Space Telescope optical imaging by visual inspection of a catalog of 85 local (D < 63 Mpc) Seyfert galaxies. We also attempt to re-establish the core morphology-Seyfert class relationship using an automated, non-parametric technique that combines both existing classification parameter methods (the adapted CAS and G-M {sub 20}) and a new method which implements the Source Extractor software for feature detection in unsharp-mask images. This new method is designed explicitly to detect dust features in the images. We use our automated approach to classify the morphology of the AGN cores and determine that Sy2 galaxies visually appear, on average, to have more dust features than Sy1. With the exception of this ''dustiness'' however, we do not measure a strong correlation between the dust morphology and the Seyfert class of the host galaxy using quantitative techniques. We discuss the implications of these results in the context of the unified model.

79 ASTRONOMY AND ASTROPHYSICS↗

WHY IS NON-THERMAL LINE BROADENING OF SPECTRAL LINES IN THE LOWER TRANSITION REGION OF THE SUN INDEPENDENT OF SPATIAL RESOLUTION?

Spectral observations of the solar transition region (TR) and corona show broadening of spectral lines beyond what is expected from thermal and instrumental broadening. The remaining non-thermal broadening is significant (5–30 km s{sup −1}) and correlated with intensity. Here we study spectra of the TR Si iv 1403 Å line obtained at high resolution with the Interface Region Imaging Spectrograph (IRIS). We find that the large improvement in spatial resolution (0.″33) of IRIS compared to previous spectrographs (2″) does not resolve the non-thermal line broadening which, in most regions, remains at pre-IRIS levels of about 20 km s{sup −1}. This invariance to spatial resolution indicates that the processes behind the broadening occur along the line-of-sight (LOS) and/or on spatial scales (perpendicular to the LOS) smaller than 250 km. Both effects appear to play a role. Comparison with IRIS chromospheric observations shows that, in regions where the LOS is more parallel to the field, magneto-acoustic shocks driven from below impact the TR and can lead to significant non-thermal line broadening. This scenario is supported by MHD simulations. While these do not show enough non-thermal line broadening, they do reproduce the long-known puzzling correlation between non-thermal line broadening and intensity. This correlation is caused by the shocks, but only if non-equilibrium ionization is taken into account. In regions where the LOS is more perpendicular to the field, the prevalence of small-scale twist is likely to play a significant role in explaining the invariance and correlation with intensity. (letters)

79 ASTRONOMY AND ASTROPHYSICS↗

WE-AB-BRA-02: Development of Biomechanical Models to Describe Dose-Volume Response to Liver Stereotactic Body Radiation Therapy (SBRT) Patients

Purpose: Previous studies have shown that radiotherapy treatment for liver metastases causes marked liver hypertrophy in areas receiving low dose and atrophy/fibrosis in areas receiving high dose. The purpose of this work is to develop and evaluate a biomechanical model-based dose-response model to describe these liver responses to SBRT. Methods: In this retrospective study, a biomechanical model-based deformable registration algorithm, Morfeus, was expanded to include dose-based boundary conditions. Liver and tumor volumes were contoured on the planning images and CT/MR images three months post-RT and converted to finite element models. A thermal expansion-based relationship correlating the delivered dose and volume response was generated from 22 patients previously treated. This coefficient, combined with the planned dose, was applied as an additional boundary condition to describe the volumetric response of the liver of an additional cohort of metastatic liver patients treated with SBRT. The accuracy of the model was evaluated based on overall volumetric liver comparisons and the target registration error (TRE) using the average deviations in positions of identified vascular bifurcations on each set of registered images, with a target accuracy of the 2.5mm isotropic dose grid (vector dimension 4.3mm). Results: The thermal expansion coefficient models the volumetric change of the liver to within 3%. The accuracy of Morfeus with dose-expansion boundary conditions a TRE of 5.7±2.8mm compared to 11.2±3.7mm using rigid registration and 8.9±0.28mm using Morfeus with only spatial boundary conditions. Conclusion: A biomechanical model has been developed to describe the volumetric and spatial response of the liver to SBRT. This work will enable the improvement of correlating functional imaging with delivered dose, the mapping of the delivered dose from one treatment onto the planning images for a subsequent treatment, and will further provide information to assist with the biological characterization of patients’ response to radiation.

60 APPLIED LIFE SCIENCES↗

Correlation between hot spots and 3-D defect structure in single and polycrystalline high-explosive materials

This article presents a novel approach that spatially identifies inhomogeneities from microscale (defects, con-formational disorder) to mesoscale (voids, inclusions) using synchrotron x-ray methods: tomography, Lang topography, and micro-diffraction mapping. These techniques provide a non-destructive method for characterization of mm-sized samples prior to shock experiments. These characterization maps can be used to correlate continuum level measurements in shock compression experiments to the mesoscale and microscale structure.

36 MATERIALS SCIENCE↗

Particle image velocimetry (PIV) uncertainty quantification using moment of correlation (MC) plane

Here, we present a new uncertainty estimation method for particle image velocimetry (PIV), that uses the correlation plane as a model for the probability density function (PDF) of displacements and calculates the second order moment of the correlation (MC). The cross-correlation between particle image patterns is the summation of all particle matches convolved with the apparent particle image diameter. MC uses this property to estimate the PIV uncertainty from the shape of the cross-correlation plane. In this new approach, the generalized cross-correlation (GCC) plane corresponding to a PIV measurement is obtained by removing the particle image diameter contribution. The GCC primary peak represents a discretization of the displacement PDF, from which the standard uncertainty is obtained by convolving the GCC plane with a Gaussian function. Then a Gaussian least-squares-fit is applied to the peak region, accounting for the stretching and rotation of the peak, due to the local velocity gradients and the effect of the convolved Gaussian. The MC method was tested with simulated image sets and the predicted uncertainties show good sensitivity to the error sources and agreement with the expected RMS error. Subsequently, the method was demonstrated in three PIV challenge cases and two experimental datasets and was compared with the published image matching (IM) and correlation statistics (CS) techniques. Results show that the MC method has a better response to spatial variation in RMS error and the predicted uncertainty is in good agreement with the expected standard uncertainty. The uncertainty prediction was also explored as a function of PIV interrogation window size. Overall, the MC method performance establishes itself as a valid uncertainty estimation tool for planar PIV.

47 OTHER INSTRUMENTATION↗

Agreement of central site measurements and land use regression modeled oxidative potential of PM{sub 2.5} with personal exposure

Oxidative potential (OP) of ambient particulate matter (PM) has been suggested as a health-relevant exposure metric. In order to use OP for exposure assessment, information is needed about how well central site OP measurements and modeled average OP at the home address reflect temporal and spatial variation of personal OP. We collected 96-hour personal, home outdoor and indoor PM{sub 2.5} samples from 15 volunteers living either at traffic, urban or regional background locations in Utrecht, the Netherlands. OP was also measured at one central reference site to account for temporal variations. OP was assessed using electron spin resonance (OP{sup ESR}) and dithiothreitol (OP{sup DTT}). Spatial variation of average OP at the home address was modeled using land use regression (LUR) models. For both OP{sup ESR} and OP{sup DTT}, temporal correlations of central site measurements with home outdoor measurements were high (R>0.75), and moderate to high (R=0.49–0.70) with personal measurements. The LUR model predictions for OP correlated significantly with the home outdoor concentrations for OP{sup DTT} and OP{sup ESR} (R=0.65 and 0.62, respectively). LUR model predictions were moderately correlated with personal OP{sup DTT} measurements (R=0.50). Adjustment for indoor sources, such as vacuum cleaning and absence of fume-hood, improved the temporal and spatial agreement with measured personal exposure for OP{sup ESR}. OP{sup DTT} was not associated with any indoor sources. Our study results support the use of central site OP for exposure assessment of epidemiological studies focusing on short-term health effects. - Highlights: • Oxidative potential (OP) of PM was proposed as a health-relevant exposure metric. • We evaluated the relationship between measured and modeled outdoor and personal OP. • Temporal correlations of central site with personal OP are moderate to high. • Adjusting for indoor sources improved the agreement with personal OP. • Our results support the use of central site OP for short-term health effect studies.

54 ENVIRONMENTAL SCIENCES↗