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DOE OSTI2026

Machine Learning Framework for Characterizing Processing–Structure Relationship in Block Copolymer Thin Films

The morphology of block copolymers (BCPs) critically influences material properties and applications. This work introduces a machine learning (ML)-enabled, high-throughput framework for analyzing grazing incidence small-angle X-ray scattering (GISAXS) data and atomic force microscopy (AFM) images to characterize BCP thin film morphology. A convolutional neural network was trained to classify AFM images by surface features, achieving 97% testing accuracy. Classified images were then analyzed to extract 2D grain size measurements from the samples in a high-throughput manner. ML models were trained to predict domain orientation based on processing parameters such as solvent ratio, additive type, and additive ratio. GISAXS-based properties were predicted with strong performances (R 2 > 0.75), while AFM-based property predictions were less accurate (R 2 < 0.60), likely due to the localized nature of AFM measurements compared to the bulk information captured by GISAXS. Beyond model performance, interpretability was addressed using SHapley Additive exPlanations (SHAP). SHAP analysis revealed that the additive ratio had the largest impact on morphological predictions, where additive provides the BCP chains with increased volume to rearrange into thermodynamically favorable morphologies. This interpretability helps validate model predictions and offers insight into parameter importance. Altogether, the presented framework combining high-throughput characterization and interpretable ML offers an approach to exploring and optimizing BCP thin film morphology across a broad processing landscape.

36 MATERIALS SCIENCE↗

NASA NTRS1990

FIRE aircraft observations of horizontal and vertical transport in marine stratocumulus

A major goal of research on marine stratocumulus is to try to understand the processes that generate and dissipate them. One approach to studying this problem is to investigate the boundary layer structure in the vicinity of a transition from a cloudy to a cloud-free region to document the differences in structure on each side of the transition. Since stratiform clouds have a major impact on the radiation divergence in the boundary layer, the transition from a cloudy to a clear boundary layer is a region of large horizontal inhomogeneity in air temperature and turbulence intensity. This leads to a considerable difference in horizontal and vertical transports between the cloudy and cloud-free regions. Measurements are used from the NCAR Electra aircraft during flights 5 (7 July 1987) and 10 (18 July 1987) of FIRE for this purpose. Flight 5 coincided with a LANDSAT overflight, and was designed to investigate the transition across a well-defined N-S cloud boundary, since the LANDSAT image can document the cloud cover in considerable detail. Turbulence legs were flown about 60 km on both sides of the cloud boundary. Flight 10 was flown at night in an area of scattered small cumuli and broken cloud patches.

Paluch, Ilga R.↗

NASA NTRS1992

Statistics of backscatter radar return from vegetation

The statistical characteristics of radar return from vegetation targets are investigated through a simulation study based upon the first-order scattered field. For simulation purposes, the vegetation targets are modeled as a layer of randomly oriented and spaced finite cylinders, needles, or discs, or a combination of them. The finite cylinder is used to represent a branch or a trunk, the needle for a stem or a coniferous leaf, and the disc for a decidous leaf. For a plane wave illuminating a vegetation canopy, simulation results show that the signal returned from a layer of disc- or needle-shaped leaves follows the Gamma distribution, and that the signal returned from a layer of branches resembles the log normal distribution. The Gamma distribution also represents the signal returned from a layer of a mixture of branches and leaves regardless of the leaf shapes. Results also indicate that the polarization state does not have a significant impact on signal distribution.

Karam, M. A.↗

NASA NTRS2008

Electrostatic Charging of Lunar Dust by UV Photoelectric Emissions and Solar Wind Electrons

The ubiquitous presence of dust in the lunar environment with its high adhesive characteristics has been recognized to be a major safety issue that must be addressed in view of its hazardous effects on robotic and human exploration of the Moon. The reported observations of a horizon glow and streamers at the lunar terminator during the Apollo missions are attributed to the sunlight scattered by the levitated lunar dust. The lunar surface and the dust grains are predominantly charged positively by the incident UV solar radiation on the dayside and negatively by the solar wind electrons on the night-side. The charged dust grains are levitated and transported over long distances by the established electric fields. A quantitative understanding of the lunar dust phenomena requires development of global dust distribution models, based on an accurate knowledge of lunar dust charging properties. Currently available data of lunar dust charging is based on bulk materials, although it is well recognized that measurements on individual dust grains are expected to be substantially different from the bulk measurements. In this paper we present laboratory measurements of charging properties of Apollo 11 & 17 dust grains by UV photoelectric emissions and by electron impact. These measurements indicate substantial differences of both qualitative and quantitative nature between dust charging properties of individual micron/submicron sized dust grains and of bulk materials. In addition, there are no viable theoretical models available as yet for calculation of dust charging properties of individual dust grains for both photoelectric emissions and electron impact. It is thus of paramount importance to conduct comprehensive measurements for charging properties of individual dust grains in order to develop realistic models of dust processes in the lunar atmosphere, and address the hazardous issues of dust on lunar robotic and human missions.

Abbas, Mian M.↗

DOE OSTI2025

Impact of Newly Measured 𝛽-Delayed Neutron Emitters around 78 Ni on Light Element Nucleosynthesis in the Neutrino Wind Following a Neutron Star Merger

Neutron emission probabilities and half-lives of 37 𝛽-delayed neutron emitters from 75 Ni to 92 Br were measured at the RIKEN Nishina Center in Japan, including 11 one-neutron and 13 two-neutron emission probabilities and six half-lives for the first time that supersede theoretical estimates. These nuclei lie in the path of the weak 𝑟 process occurring in neutrino-driven winds from the accretion disk formed after the merger of two neutron stars synthesizing elements in the 𝐴∼80 abundance peak. The presence of such elements dominates the accompanying kilonova emission over the first few days and have been identified in the AT2017gfo event, associated to the gravitational wave detection GW170817. Abundance calculations based on over 17,000 simulated trajectories describing the evolution of matter properties in the merger outflows show that the new data lead to an increase of 50%–70% in the abundance of Y, Zr, Nb, and Mo. This enhancement is large compared to the scatter of relative abundances observed in old very metal poor stars and thus is significant in the comparison with other possible astrophysical processes contributing to the light-element production. These results underline the importance of including experimental decay data for very neutron-rich 𝛽 -delayed neutron emitters into 𝑟 -process models.

59 ≤ A ≤ 89↗

DOE OSTI2023

Verifying Ray Tracing Amplitude Methods for Global Magnetospheric Modeling

Abstract Ray tracing is a commonly used method for modeling the propagation of electromagnetic waves in Earth's magnetosphere. To apply ray tracing results to global models of wave‐particle interaction such as energetic electron scattering, it is useful to map the discrete rays to a volume filling mesh. However, some methods have inherent losses of energy from the wave source, or do not account for the full range of wave properties within a sample volume. We have developed and tested a 3D magnetospheric ray tracing code “MESHRAY” which resolves these issues. MESHRAY uses the conservation of Poynting flux through ray triplets with finite volume to determine the local field amplitudes. Electromagnetic wave energy density from all ray data points is mapped to a mesh and verified against the wave source power for energy conservation varying time step length, number of rays, and total time steps. We find that the method is self‐consistent and numerically robust. We further investigate whether the neglect of phase information and superposition has a significant impact on the accuracy of mapping wave intensity to a mesh. We find excellent agreement between the analytic solution for waves emitted by a line source in a plane‐stratified medium and an equivalent ray tracing solution. When phase information is excluded, ray tracing reproduces an average amplitude spread over regions of coherent constructive and destructive interference. This may be an important consideration for interpolating ray tracing results of longer wavelength waves such as magnetosonic, electromagnetic ion cyclotron, or ULF waves.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Intense alteration on early Mars revealed by high-aluminum rocks at Jezero crater

The NASA Perseverance rover discovered light-toned float rocks scattered across the surface of Jezero crater that are particularly rich in alumina ( ~ 35 wt% Al 2 O 3 ) and depleted in other major elements (except silica). These unique float rocks have heterogeneous mineralogy ranging from kaolinite/halloysite-bearing in hydrated samples, to spinel-bearing in dehydrated samples also containing a dehydrated Al-rich phase. Here we describe SuperCam and Mastcam-Z observations of the float rocks, including the first in situ identification of kaolinite or halloysite on another planet, and dehydrated phases including spinel and apparent partially dehydroxylated kaolinite. The presence of spinel in these samples is likely detrital in origin, surviving kaolinitization, pointing to an ultramafic origin. However, the association of low hydration with increased Al 2 O 3 abundances suggests heating-induced dehydration which could have occurred during the lithification or impact excavation of these rocks. Given the orbital context of kaolinite-bearing megabreccia in the Jezero crater rim, we propose an origin for these rocks involving intense aqueous alteration of the parent material, followed by dehydration/lithification potentially through impact processes, and dispersion into Jezero crater through flood or impact-related processes.

58 GEOSCIENCES↗

NASA NTRS2019

Observation of Absorbing Aerosols Above Clouds over the South-East Atlantic Ocean from the Geostationary Satellite SEVIRI – Part 1: Method Description and Sensitivity

High temporal resolution observations from satellites have a great potential for studying the impact of biomass burning aerosols and clouds over the South East Atlantic Ocean (SEAO). This paper presents a method developed to retrieve simultaneously aerosol and cloud properties in aerosol above cloud conditions from the geostationary instrument Meteosat Second Generation/Spinning Enhanced Visible and Infrared Imager (MSG/SEVIRI). The above-cloud Aerosol Optical Thickness (AOT), the Cloud Optical Thickness (COT) and the Cloud droplet Effective Radius (CER) are derived from the spectral contrast and the magnitude of the signal measured in three channels in the visible to shortwave infrared region. The impact of the absorption from atmospheric gases on the satellite signal is corrected by applying transmittances calculated using the water vapour profiles from a Met Office forecast model. The sensitivity analysis shows that a 10% error on the humidity profile leads to an 18.5% bias on the above-cloud AOT, which highlights the importance of an accurate atmospheric correction scheme. In situ measurements from the CLARIFY-2017 airborne field campaign are used to constrain the aerosol size distribution and refractive index that is assumed for the aforementioned retrieval algorithm. The sensitivities in the retrieved AOT, COT and CER to the aerosol model assumptions are assessed. Between 09:00-15:00 UTC, an uncertainty of 40% is estimated on the above-cloud AOT, which is dominated by the sensitivity of the retrieval to the single scattering albedo. The absorption AOT is less sensitive to the aerosol assumptions with an uncertainty generally lower than 17% between 09:00-15:00 UTC. Outside of that time range, as the scattering angle decreases, the sensitivity of the AOT and the absorption AOT to the aerosol model increases. The retrieved cloud properties are only weakly sensitive to the aerosol model assumptions throughout the day, with biases lower than 6% on the COT and 3% on the CER. The stability of the retrieval over time is analysed. For observations outside of the backscattering glory region, the time-series of the aerosol and cloud properties are physically consistent, which confirms the ability of the retrieval to monitor the temporal evolution of aerosol above cloud events over the SEAO.

Peers, Fanny↗

DOE OSTI2025

Collins function for pion-in-jet production in polarized pp collisions: a test of universality and factorization

We present an updated study of the Collins azimuthal asymmetries for pion-in-jet production in polarized pp collisions. To this aim, we employ a recent extraction of the transversity and Collins fragmentation functions from semi-inclusive deep inelastic scattering and e + e - annihilation into hadron pairs processes, obtained within a simplified transverse momentum dependent (TMD) approach at leading order in the strong coupling constant α s . In the present case we adopt a collinear configuration for the initial state, keeping transverse momentum effects only in the fragmentation mechanism. Our theoretical estimates, when compared against 200 GeV and 510 GeV data from the STAR Collaboration, show a generally good agreement for the distributions in the transverse momentum of the jet, the pion longitudinal momentum fraction and its transverse momentum with respect to the jet direction. While not being a proof, due the assumptions and limitations behind the entire approach, these findings corroborate the hypothesis of TMD factorization for such processes as well as of the universality of the Collins function and, once again, of a reduced impact of the proper TMD evolution on azimuthal asymmetries. We will also present predictions based on an extraction of the Collins and transversity distributions where information from data on single spin asymmetry for inclusive pion production in p ↑ p collisions is included through a Bayesian reweighting procedure.

Azimuthal asymmetries↗

DOE OSTI2022

Path integral Monte Carlo approach to the structural properties and collective excitations of liquid $$^3{\text {He}}$$ without fixed nodes

Abstract Due to its nature as a strongly correlated quantum liquid, ultracold helium is characterized by the nontrivial interplay of different physical effects. Bosonic $$^4{\text {He}}$$ 4 He exhibits superfluidity and Bose-Einstein condensation. Its physical properties have been accurately determined on the basis of ab initio path integral Monte Carlo (PIMC) simulations. In contrast, the corresponding theoretical description of fermionic $$^3{\text {He}}$$ 3 He is severely hampered by the notorious fermion sign problem, and previous PIMC results have been derived by introducing the uncontrolled fixed-node approximation. In this work, we present extensive new PIMC simulations of normal liquid $$^3{\text {He}}$$ 3 He without any nodal constraints. This allows us to to unambiguously quantify the impact of Fermi statistics and to study the effects of temperature on different physical properties like the static structure factor $$S({\mathbf {q}})$$ S ( q ) , the momentum distribution $$n({\mathbf {q}})$$ n ( q ) , and the static density response function $$\chi ({\mathbf {q}})$$ χ ( q ) . In addition, the dynamic structure factor $$S({\mathbf {q}},\omega )$$ S ( q , ω ) is rigorously reconstructed from imaginary-time PIMC data. From simulations of $$^3{\text {He}}$$ 3 He , we derived the familiar phonon–maxon–roton dispersion function that is well-known for $$^4{\text {He}}$$ 4 He and has been reported previously for two-dimensional $$^3{\text {He}}$$ 3 He films (Nature 483:576–579 (2012)). The comparison of our new results for both $$S({\mathbf {q}})$$ S ( q ) and $$S({\mathbf {q}},\omega )$$ S ( q , ω ) with neutron scattering measurements reveals an excellent agreement between theory and experiment.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2007

Satellite Monitoring of Asian Dust Storms from SeaWiFS and MODIS: Source, pathway and Interannual Variability

Among the many components that contribute to air pollution, airborne mineral dust plays an important role due to its biogeochemical impact on the ecosystem and its radiative-forcing effect on the climate system. In East Asia, dust storms frequently accompany the cold and dry air masses that occur as part of springtime cold front systems. China's capital, Beijing, and other large cities are on the primary pathway of these dust storm plumes, and their passage over such population centers causes flight delays, pushes grit through windows and doors, and forces people indoors. Furthermore, during the spring these anthropogenic and natural air pollutants, once generated over the source regions, can be transported out of the boundary layer into the free troposphere and can travel thousands of kilometers across the Pacific into the United States and beyond. In this paper, we will demonstrate the capability of a new satellite algorithm to retrieve aerosol optical thickness and single scattering albedo over bright-reflecting surfaces such as urban areas and deserts. Such retrievals have been difficult to perform using previously available algorithms that use wavelengths from the mid-visible to the near IR because they have trouble separating the aerosol signal from the contribution due to the bright surface reflectance. The new algorithm, called Deep Blue, utilizes blue-wavelength measurements from instruments such as SeaWiFS and MODIS to infer the properties of aerosols, since the surface reflectance over land in the blue part of the spectrum is much lower than for longer wavelength channels. We have validated the satellite retrieved aerosol optical thickness with data from AERONET sunphotometers over desert and semi-desert regions. The comparisons show reasonable agreements between these two. These new satellite products will allow scientists to determine quantitatively the aerosol properties near sources using high spatial resolution measurements from SeaWiFS and MODIS-like instruments. The multiyear satellite measurements since 1998 from SeaWiFS will be utilized to investigate the interannual variability of source, pathway, and dust loading associated with these dust outbreaks in East Asia. The monthly averaged aerosol optical thickness during the springtime from SeaWiFS will also be compared with the MODIS Deep Blue products.

Hsu, N. Christina↗

NASA NTRS2010

Satellite Monitoring of Asian Dust Storms from SeaWiFS and MODIS: Source, Pathway, and Interannual Variability

Among the many components that contribute to air pollution, airborne mineral dust plays an important role due to its biogeochernical impact on the ecosystem and its radiative-forcing effect on the climate system. In East Asia, dust storms frequently accompany the cold and dry air masses that occur as part of springtime cold front systems. China's capital, Beijing, and other large cities are on the primary pathway of these dust storm plumes, and their passage over such population centers causes flight delays, pushes grit through windows and doors, and forces people indoors. Furthermore, during the spring these anthropogenic and natural air pollutants, once generated over the source regions, can be transported out of the boundary layer into the free troposphere and can travel thousands of kilometers across the Pacific into the United States and beyond. In this paper, we will demonstrate the capability of a new satellite algorithm to retrieve aerosol optical thickness and single scattering albedo over bright reflecting surfaces such as urban areas and deserts. Such retrievals have been difficult to perform using previously available algorithms that use wavelengths from the mid-visible to the near IR because they have trouble separating the aerosol signal from the contribution due to the bright surface reflectance. The new algorithm, called Deep Blue, utilizes blue-wavelength measurements from instruments such as SeaWiFS and MODIS to infer the properties of aerosols, since the surface reflectance over land in the blue part of the spectrum is much lower than for longer wavelength channels. We have validated the satellite retrieved aerosol optical thickness with data from AERONET sunphotometers over desert and semi-desert regions. The comparisons show reasonable agreements between these two. These new satellite products will allow scientists to determine quantitatively the aerosol properties near sources using high spatial resolution measurements from SeaWiFS and MODIS-like instruments. The multiyear satellite measurements since 1998 from SeaWiFS will be utilized to investigate the interannual variability of source, pathway, and dust loading associated with these dust outbreaks in East Asia. The monthly averaged aerosol optical thickness during the springtime from SeaWiFS will also be compared with the MODIS Deep Blue products.

Hsu, N. Christina↗

DOE OSTI2024

Node Distortions in UiO-66 Inform Negative Thermal Expansion Mechanisms: Kinetic Effects, Frustration, and Lattice Hysteresis

In metal–organic frameworks (MOFs) the interplay between the dynamics of individual components and how these are constrained by the extended lattice can yield unusual emergent phenomena. For the archetypal Zr-MOF, UiO-66, we explore the cooperative dynamics of a Zr-node transformation that gives rise to negative thermal expansion (NTE). Here, using in situ synchrotron X-ray scattering, with powder diffraction and pair distribution function (PDF) analyses, we identify lattice hysteresis and a thermal ramp-rate-dependence of the thermal expansion. Specifically, kinetic trapping of distorted node states formed at high temperature, leads to broad variability in the apparent thermal expansion which ranges from large positive to large negative thermal expansion with coefficients of thermal expansion (CTE) from +45 to –80 × 10 –6 K –1 . Time-resolved relaxation studies at selected temperatures suggest that when equilibrated UiO-66 is intrinsically NTE, with a CTE of –35 × 10 –6 K –1 . Kinetic trapping of the node-distorted state following high temperature activation has broad implications for characterization and applications of these Zr-MOFs; the nonequilibrium node state depends on the thermal history of the sample with quench vs slow cooling likely to impact gas binding, pore volume, and accessible catalytic sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2019

Observation of absorbing aerosols above clouds over the south-east Atlantic Ocean from the geostationary satellite SEVIRI – Part 1: Method description and sensitivity

High-temporal-resolution observations from satellites have a great potential for studying the impact of biomass burning aerosols and clouds over the south-east Atlantic Ocean (SEAO). This paper presents a method developed to simultaneously retrieve aerosol and cloud properties in aerosol above-cloud conditions from the geostationary instrument Meteosat Second Generation/Spinning Enhanced Visible and Infrared Imager (MSG/SEVIRI). The above-cloud aerosol optical thickness (AOT), the cloud optical thickness (COT) and the cloud droplet effective radius (CER) are derived from the spectral contrast and the magnitude of the signal measured in three channels in the visible to shortwave infrared region. The impact of the absorption from atmospheric gases on the satellite signal is corrected by applying transmittances calculated using the water vapour profiles from a Met Office forecast model. The sensitivity analysis shows that a 10 % error on the humidity profile leads to an 18.5 % bias on the above-cloud AOT, which highlights the importance of an accurate atmospheric correction scheme. In situ measurements from the CLARIFY-2017 airborne field campaign are used to constrain the aerosol size distribution and refractive index that is assumed for the aforementioned retrieval algorithm. The sensitivities in the retrieved AOT, COT and CER to the aerosol model assumptions are assessed. Between 09:00 and 15:00 UTC, an uncertainty of 40 % is estimated on the above-cloud AOT, which is dominated by the sensitivity of the retrieval to the single-scattering albedo. The absorption AOT is less sensitive to the aerosol assumptions with an uncertainty generally lower than 17 % between 09:00 and 15:00 UTC. Outside of that time range, as the scattering angle decreases, the sensitivity of the AOT and the absorption AOT to the aerosol model increases. The retrieved cloud properties are only weakly sensitive to the aerosol model assumptions throughout the day, with biases lower than 6 % on the COT and 3 % on the CER. The stability of the retrieval over time is analysed. For observations outside of the backscattering glory region, the time series of the aerosol and cloud properties are physically consistent, which confirms the ability of the retrieval to monitor the temporal evolution of aerosol above-cloud events over the SEAO.

cloud properties↗

DOE OSTI2020

Long-range transported North American wildfire aerosols observed in marine boundary layer of eastern North Atlantic

Wildfire is a major source of biomass burning aerosols, which greatly impact Earth climate. Tree species in North America (NA) boreal forests can support high-intensity crown fires, resulting in elevated injection height and longer lifetime (on the order of months) of the wildfire aerosols. Given the long lifetime, the properties of aged NA wildfire aerosols are required to understand and quantify their effects on radiation and climate. Here we present comprehensive characterization of climatically relevant properties, including optical properties and cloud condensation nuclei (CCN) activities of aged NA wildfire aerosols, emitted from the record-breaking Canadian wildfires in August 2017. Despite the extreme injection height of ~12 km, some of the wildfire plumes descended into the marine boundary layer in the eastern North Atlantic over a period of ~2 weeks, owing to the dry intrusions behind mid-latitude cyclones. The aged wildfire aerosols have high single scattering albedos at 529 nm (ω 529 ; 0.92–0.95) while low absorption Ångström exponents (Å abs ) at 464 nm/648 nm (0.7–0.9). In comparison, Å abs of fresh/slightly aged ones are typically 1.4–3.5. This low Å abs 529 and low Å abs ~110 nm diameter) with thick non-absorbing coatings. The accelerated descent of the wildfire plume also led to strong increase of CCN concentration at the supersaturation levels representative of marine low clouds. The hygroscopicity parameter, κ CCN , of the aged wildfire aerosols varies from 0.2 to 0.4, substantially lower than that of background marine boundary layer aerosols. However, the high fraction of particles with large diameter (i.e., within accumulation size ranges, ~100–250 nm) compensates for the low values of κ, and as a result, the aged NA wildfire aerosols contribute more efficiently to CCN population. These results provide direct evidence that the long-range transported NA wildfires can strongly influence CCN concentration in remote marine boundary layer, therefore the radiative properties of marine low clouds. Given the expected increases of NA wildfire intensity and frequency and regular occurrence of dry intrusion following mid-latitude cyclones, the influence of NA wildfire aerosols on CCN and clouds in remote marine environment need to be further examined.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Reduced diffusion and enhanced retention of multiple radionuclides from pore structure characterization of barrier materials for enhanced repository performance

Fluid flow and chemical transport in porous media are the macroscopic consequences of pore structure, which integrates geometry (e.g., pore size and surface area, pore-size distribution) and topology (e.g., pore connectivity). Low-permeability geological media whose pores are poorly interconnected will exhibit the characteristics of anomalous diffusion and sample size-dependent effective porosity, which will strongly impact long-term net diffusion and retention of radionuclides in geological repository settings involving different host rocks and barrier materials. A suite of innovative and complementary experimental approaches is utilized to study the microscopic pore structure and macroscopic fluid flow & chemical transport for a range of host rocks and barrier materials, in addition to standard clay minerals and reference rocks. With a particular focus on quantifying the presence and magnitude of “isolated” pores for a reduced effective porosity in low-permeability geomedia, the integrated methodologies for basic properties and pore structure characterization of these geomedia include X-ray diffraction, thin section petrography, grain size distribution, water immersion porosimetry after vacuum-pulling for full saturation, mercury intrusion porosimetry, nitrogen physisorption, scanning electron microscopy, X-ray computed tomography, and (ultra-)small angle neutron (X-ray) scattering. In addition, custom-designed gas diffusion, tracer recipe involving a range of anionic and cationic chemicals with subsequent analyses by laser ablation and inductively coupled plasma-mass spectrometry, along with batch sorption, column transport, and imbibition tests were conducted for coupled effects of pore structure and chemical retention/transport. From the perspectives of pore structure in conjunction with multiple and complementary approaches to examining a range of sample sizes under different observational scales, we find that the poor pore connectivity is prevalent in low-permeability media (mudstone and crystalline rock) that is related to geological processes (e.g., compaction, diagenesis and thermal maturation). For example, the deep and organic matter-rich mudstones have a much smaller effective porosity than the total porosity (as a result of poor pore connectivity) and associated diffusion coefficient, and the effective porosity & diffusion coefficients are also dependent upon the sample sizes used in the measurement. Similarly, most of the pore space in the shallow mudstone is also controlled by pore-throat diameters in the 5-50 nm range of intergranular pore types from its fine-grained nature, but with an overall good pore connectivity. However, the nm-sized pore space (physically pore-network architecture) and strong sorption capacities (chemical retention from clay minerals) of both shallow and deep mudstones lead to the synergistic retention of cationic radionuclides and their utilities as effective host rocks and barrier materials. Our unique approaches of studying how the micro-scale pore structure affect macro-scale fluid flow, diffusion & retention, and chemical transport produce improved mechanistic understanding, and realistic quantification, of diffusion and retention of typical radionuclides in a range of generic host rocks and barrier materials (clay/shale, salt, crystalline rock, and tuff), with the overall results leading to scientifically-based understanding of enhanced isolation (from both diffusion and retention) of radionuclides and improved confidence on the long-term performance of geological repository to store high-level radioactive wastes. In addition to the training of 25 undergraduates, graduates, and postdocs of UTA, the scientists (organizations) involved in performing this work (e.g., discussion, sample sharing, and operation of SANS and SAXS instruments) include Ed Matteo, Yifeng Wang, and Kristopher Kuhlman (Sandia National Laboratories), Jens Birkholzer, Liange Zheng, Tim Kneafsey, and Sharon Borglin (Lawrence Berkeley National Laboratory), Mavrik Zavarin (Lawrence Livermore National Laboratory), Yukio Tachi and Yuta Fukatsu (Japan Atomic Energy Agency), Mieke de Craen (Euridice, Belgium), Markus Bleuel (NIST), Wei-Ren Chen, Gergely Nagy, Changwoo Do, William Heller, Larry Anovitz, and Kenneth Littrell (ORNL), as well as Jan Illvsky, Ivan Kuzmenko, Ju-Sang Park and Jon Almers (ANL). Key deliverables include a total of 13 peer-reviewed journal articles (nine published and three under review), 23 presentations at scientific conferences (AAPG, AAPG Southwest Section, AGU, Asian Clay Conference, GSA, GSA South-Central Section, IHLRWM, InterPore, International Conference on Chemistry and Migration Behavior of Actinides and Fission Products in the Geosphere, International Conference on Coupled Processes in Fractured Geological Media: Observation, Modeling and Application), and academic institutions (UTA, New Mexico State University; University of Poitiers, France; University of Helsinki, Finland; Uppsala University, Sweden; Istanbul Technical University, Turkey) and other organizations (Andra, France; Posiva Oy, Finland).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1989

Redistribution in astrophysically important hydrogen lines

Under typical solar chromospheric conditions for hydrogen radiators, strong collisions due to both electrons and ions are well separated in time, so that a binary collision theory for collisional redistribution is applicable. However, a simple impact approximation may not be used, but rather a unified type theory is required in which frequency dependent line shape parameters are used to describe both impact and quasi-static regions of the spectrum. In addition, correlated terms which describe absorption and emission during a collision are important, and, in fact, without correlated terms describing both transfer of excitation and emission during the same collision unphysical predictions (such as negative intensities) would be obtained. In this paper theory is specifically developed for the coupled Lyman-alpha, Lyman-beta, Hydrogen-alpha system, and equations of statistical equilibrium and absorption and emission coefficients are given. All correlated events are examined and emission during a collision is found to be important in the line wings. Stimulated emission and absorption is also included within a broadband approximation. The major approximation is to ignore lower state interaction. It is found that for Lyman-beta Raman-coupling with Hydrogen-alpha occurs and the overall scattering of radiation in the line wings is mostly coherent. In contrast, for Hydrogen-alpha, incoherent redistribution due to lower state radiative decay (which occurs even in the absence of collisions) is found to dominate the coherent scattering. Finally, in the Lyman series the dominant incoherent contribution is associated with cascade transitions and inelastic collisions between different principal quantum states.

Cooper, J.↗

NASA NTRS2011

Satellite Monitoring of Asian Dust Storms from SeaWiFS and MODIS: Source, Pathway, and Interannual Variability

Among the many components that contribute to air pollution, airborne mineral dust plays an important role due to its biogeochemical impact on the ecosystem and its radiative-forcing effect on the climate system. In East Asia, dust storms frequently accompany the cold and dry air masses that occur as part of springtime cold front systems. China's capital, Beijing, and other large cities are on the primary pathway of these dust storm plumes, and their passage over such population centers causes flight delays, pushes grit through windows and doors, and forces peop Ie indoors. Furthermore, during the spring these anthropogenic and natural air pollutants, once generated over the source regions, can be tran sported out of the boundary layer into the free troposphere and can travel thousands of kilometers across the Pacific into the United States and beyond. In this paper, we will demonstrate the capability of a new satellite algorithm to retrieve aerosol optical thickness and single scattering albedo over brightreflecting surfaces such as urban areas and deserts. Such retrievals have been difficult to perform using previously available algorithms that use wavelengths from the mid-visible to the near IR because they have trouble separating the aerosol signal from the contribution due to the bright surface reflectance. The new algorithm, called Deep Blue, utilizes blue-wavelength measurements from instruments such as Sea WiFS and MODIS to infer the properties of aerosols, since the surface reflectance over land in the blue part of the spectrum is much lower than for longer wavelength channels. We have validated the satellite retrieved aerosol optical thickness with data from AERONET sunphotometers over desert and semi-desert regions. The comparisons show reasonable agreements between these two. These new satellite products will allow scientists to determine quantitatively the aerosol properties near sources using high spatial resolution measurements from Sea WiFS and MODISlike instruments. The multiyear satellite measurements since 1998 from SeaWiFS will be utilized to investigate the interannual variability of source, pathway, and dust loading associated with these dust outbreaks in East Asia. The monthly averaged aerosol optical thickness during the springtime from SeaWiFS will also be compared with the MODIS Deep Blue products.

Hsu, N. Christina↗