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At least 379 records · Page 21

Visibility-enhanced model-free deep reinforcement learning algorithm for voltage control in realistic distribution systems using smart inverters

Increasing integration of distributed solar photovoltaic (PV) into distribution networks could result in adverse effects on grid operation. Traditional model-based control algorithms require accurate model information that is difficult to acquire and thus are challenging to implement in practice. Here, this paper proposes a surrogate model-enabled grid visibility scheme to empower deep reinforcement learning (DRL) approach for distribution network voltage regulation using PV inverters with minimal system knowledge. In contrast to existing DRL methods, this paper presents and corroborates the adverse impact of missing load information on DRL performance and, based on this finding, proposes a surrogate model methodology to impute load information utilizing observable data. Additionally, a multi-fidelity neural network is utilized to construct the DRL training environment, chosen for its efficient data utilization and enhanced robustness to data uncertainty. The feasibility and effectiveness of the proposed algorithm are assessed by considering DRL testing across varying degrees of observable load information and diverse training environments on a realistic power system.

14 SOLAR ENERGY↗

A new hypothesis for the origin of Amazonian Dark Earths

Amazonian Dark Earths (ADEs) are unusually fertile soils characterised by elevated concentrations of microscopic charcoal particles, which confer their distinctive colouration. Frequent occurrences of pre-Columbian artefacts at ADE sites led to their ubiquitous classification as Anthrosols (soils of anthropic origin). However, it remains unclear how indigenous peoples created areas of high fertility in one of the most nutrient-impoverished environments on Earth. Here, we report new data from a well-studied ADE site in the Brazilian Amazon, which compel us to reconsider its anthropic origin. The amounts of phosphorus and calcium—two of the least abundant macronutrients in the region—are orders of magnitude higher in ADE profiles than in the surrounding soil. The elevated levels of phosphorus and calcium, which are often interpreted as evidence of human activity at other sites, correlate spatially with trace elements that indicate exogenous mineral sources rather than in situ deposition. Stable isotope ratios of neodymium, strontium, and radiocarbon activity of microcharcoal particles also indicate exogenous inputs from alluvial deposition of carbon and mineral elements to ADE profiles, beginning several thousands of years before the earliest evidence of soil management for plant cultivation in the region. Our data suggest that indigenous peoples harnessed natural processes of landscape formation, which led to the unique properties of ADEs, but were not responsible for their genesis. If corroborated elsewhere, this hypothesis would transform our understanding of human influence in Amazonia, opening new frontiers for the sustainable use of tropical landscapes going forward.

54 ENVIRONMENTAL SCIENCES↗

Star formation bimodality in early-type galaxies

We compute the properties of a sample of 221 local, early-type galaxies with a spectral energy distribution (SED) modeling software, CIGALEMC. Concentrating on the star-forming (SF) activity and dust contents, we derive parameters such as the specific star formation rate (sSFR), the dust luminosity, dust mass, and temperature. In our sample, 52% is composed of elliptical (E) galaxies and 48% of lenticular (S0) galaxies. We find a larger proportion of S0 galaxies among galaxies with a large sSFR and large specific dust emission. The stronger activity of S0 galaxies is confirmed by larger dust masses. We investigate the relative proportion of active galactic nuclei (AGNs) and SF galaxies in our sample using spectroscopic Sloan Digital Sky Survey data and near-infrared selection techniques, and find a larger proportion of AGN-dominated galaxies in the S0 sample than the E one. This could corroborate a scenario where blue galaxies evolve into red ellipticals by passing through an S0 AGN active period while quenching its star formation. Finally, we find a good agreement comparing our estimates with color indicators.

79 ASTRONOMY AND ASTROPHYSICS↗

Unveiling the Arsenal of Apple Bitter Rot Fungi: Comparative Genomics Identifies Candidate Effectors, CAZymes, and Biosynthetic Gene Clusters in Colletotrichum Species

The bitter rot of apple is caused by Colletotrichum spp. and is a serious pre-harvest disease that can manifest in postharvest losses on harvested fruit. In this study, we obtained genome sequences from four different species, C. chrysophilum, C. noveboracense, C. nupharicola, and C. fioriniae, that infect apple and cause diseases on other fruits, vegetables, and flowers. Our genomic data were obtained from isolates/species that have not yet been sequenced and represent geographic-specific regions. Genome sequencing allowed for the construction of phylogenetic trees, which corroborated the overall concordance observed in prior MLST studies. Bioinformatic pipelines were used to discover CAZyme, effector, and secondary metabolic (SM) gene clusters in all nine Colletotrichum isolates. We found redundancy and a high level of similarity across species regarding CAZyme classes and predicted cytoplastic and apoplastic effectors. SM gene clusters displayed the most diversity in type and the most common cluster was one that encodes genes involved in the production of alternapyrone. Our study provides a solid platform to identify targets for functional studies that underpin pathogenicity, virulence, and/or quiescence that can be targeted for the development of new control strategies. With these new genomics resources, exploration via omics-based technologies using these isolates will help ascertain the biological underpinnings of their widespread success and observed geographic dominance in specific areas throughout the country.

59 BASIC BIOLOGICAL SCIENCES↗

A New Method of Deriving Time-Averaged Tropospheric Column Ozone over the Tropics Using Total Ozone Mapping Spectrometer (TOMS) Radiances: Intercomparison and Analysis Using TRACE A Data

Error analysis of archived total 03 from total ozone mapping spectrometer (TOMS) (version 6) presented. Daily total 03 maps for the tropics, from the period October 6-21, 1992, are derived from TOMS radiances following correction for these errors. These daily maps, averaged together, show a wavelike feature, which is observed in all latitude bands, underlying sharp peaks which occur at different longitudes depending on the latitude. The wave pattern is used to derive both time-averaged stratospheric and tropospheric 03 fields. The nature of the wave pattern (stratospheric or tropospheric) cannot be determined with certainty due to missing data (no Pacific sondes, no lower stratospheric Stratospheric Aerosol and Gas Experiment (SAGE) ozone for 18 months after the Mt. Pinatubo eruption) and significant uncertainties in the corroborative satellite record in the lower stratosphere (solar backscattered ultraviolet (SBUV), microwave limb sounder (MLS)). However, the time- averaged tropospheric ozone field, based on the assumption that the wave feature is stratospheric, agrees within 10% with ultraviolet differential absorption laser Transport and Atmospheric Chemistry near the Equator-Atlantic) (TRACE A) 03 measurements from the DC-8 and with ozonesonde measurements over Brazzaville, Congo, Ascension Island, and Natal, Brazil, for the period October 6-21, 1992. The derived background (nonpolluted) Indian Ocean tropospheric ozone amount, 26 Dobson units (DU), agrees with the cleanest African ozonesonde profiles for September-October 1992. The assumption of a totally tropospheric wave (flat stratosphere) gives 38 DU above the western Indian Ocean and 15-40% disagreements with the sondes. Tropospheric column 03 is high from South America to Africa, owing to interaction of dynamics with biomass burning emissions. Comparison with fire distributions from advanced very high resolution radiometer (AVHHR) during October 1992 suggests that tropospheric 03 produced from biomass burning in South America and Africa dominates the 03 budget in the tropical southern hemisphere during the study period.

Kim, J. H.↗

SU-F-T-568: QA of a Multi-Target Multi-Dose VMAT SRS

Purpose: To, experimentally, corroborated the prescribed doses utilizing dosimeters (e.g. films and TLDs) that can provide high spatial resolution, allow dose measurement of multiple targets at once, and provide accurate dosimetric results. Methods: A single-isocenter 6FFF SRS VMAT plan consisting of one 358° arc at 0° couch angle and four 179° arcs at 30°, 60°, 330° and 300° couch angles respectively, was generated in ECLIPSE v.11 using a Rando-Alderson anthropomorphic head phantom CT study. This plan was a reproduction of a clinical plan generated for a stage-IV melanoma patient diagnosed with 19 intracranial lesions. The phantom was loaded with axially mounted (between phantom slabs) Gafchromic EBT3 film and TLDs strategically positioned within various target volumes. Film and TLDS were calibrated according to established protocols. Target prescription doses were 16 Gy (3cc≤, 3 lesions), 18 Gy (∼1–3cc, 10 lesions) and 20 Gy (≤1cc, 6 lesions). Phantom setup was verified through CBCT imaging prior to irradiation. Gafchromic films were scanned in transmission mode and TLDs were read, respectively, ∼24 hrs after irradiation. Results: Dose calibrated Gafchromic film data were compared to the ECLIPSE calculated data using a 3% / 3mm gamma function analysis. Results for the gamma values were 96–99% in agreement with the calculated data and with 84–90% of the film pixels within the 3% dose difference. TLD data showed a dose difference of 0.4–8% while the film data for those same locations yielded a difference of 0.4–4%. It was observed that the highest dose discrepancies correlated with the location of the small volume targets. Conclusion: Overall this study corroborated that a VMAT SRS treatment, employing various treatment table rotations and arcs, to multiple intracranial lesions with multiple dose prescriptions can be delivered accurately with the existing radiotherapy technology.

60 APPLIED LIFE SCIENCES↗

Morin-like spin canting in the magnetic CaFe{sub 5}O{sub 7} ferrite: A combined neutron and Mössbauer study

Magnetic structure of CaFe{sub 5}O{sub 7} ferrite has been studied jointly from neutron powder diffraction data and spectroscopic Mössbauer measurements in the thermal range from 5 to 500 K. This coupled work highlights three distinct magnetic domains around two specific temperatures: T{sub M}=125 K and T{sub N}=360 K. The latter corroborates the structural monoclinic-orthorhombic transition previously reported by transmission electron microscopy techniques and X-ray thermodiffractometry. Complementary heat capacity measurements have confirmed this first order transition with a sharp peak at 360 K. Interestingly, this large study has revealed a second magnetic transition associated to a spin rotation at 125 K similar to this one reported by Morin in α-Fe{sub 2}O{sub 3} hematite at T{sub M}=260 K. - Graphical abstract: Magnetic structure of CaFe{sub 5}O{sub 7} ferrite has been studied jointly from neutron powder diffraction data and spectroscopic Mössbauer measurements in the thermal range from 5 to 500 K. This coupled work highlights three distinct magnetic domains around two specific temperatures: T{sub M}=125 K and T{sub N}=360 K. Interestingly, this large study has revealed a magnetic transition associated to a spin rotation at 125 K similar to this one reported by Morin in α-Fe{sub 2}O{sub 3} hematite at T{sub M}=260 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Small Scale Field Test Demonstrating CO 2 Sequestration In Arbuckle Saline Aquifer And By CO 2 -Eor At Wellington Field, Sumner County, Kansas

The objectives of this project are to understand the processes that occur when a maximum of 70,000 metric tonnes of CO 2 are injected into two different formations to evaluate the response in different lithofacies and depositional environments. The evaluation will be accomplished through the use of both in situ and indirect MVA (monitoring, verification, and accounting) technologies. The project will optimize for carbon storage accounting for 99% of the CO 2 using lab and field testing and comprehensive characterization and modeling techniques. Site characterization and CO 2 injection should demonstrate state-of-the-art MVA tools and techniques to monitor and visualize the injected CO 2 plume and to refine geomodels developed using nearly continuous core, exhaustive wireline logs, and well tests and a multi-component 3-D seismic survey. Reservoir simulation studies will map the injected CO 2 plume and estimate tonnage of CO 2 stored in solution, as residual gas, and by mineralization and integrate MVA results and reservoir models shall be used to evaluate CO 2 leakage. A rapid-response mitigation plan was developed to minimize CO 2 leakage and provide a comprehensive risk management strategy. The CO 2 was intended to be supplied from a reliable facility and have an adequate delivery and quality of CO 2 . However, several unforeseen circumstances complicated this plan: (1) the initially negotiated CO 2 supply facility went offline and contracts associated with CO 2 supply had to be renegotiated, (2) a UIC Class VI permit proved to be difficult to obtain due to the experimental nature of the project. Both subjects are detailed in separate deliverables attached to this report. The CO 2 enhanced oil recovery (EOR) and geologic storage in Mississippian carbonate reservoir was sucessully deployed. Approximately 20,000 metric tons of CO 2 was injected in the upper part of the Mississippian reservoir to verify CO 2 EOR viability in carbonate reservoirs and evaluate a potential of transitioning to geologic CO 2 storage through EOR. A total of 1,101 truckloads, 19,803 metric tons—an average of 120 tonnes per day—were delivered over the course of injection that lasted from January 9 to June 21, 2016. After cessation of CO 2 injection, the KGS 2-32 well was converted to water injector and continues to operate. CO 2 EOR progression in the field was monitored weekly with fluid level, temperature, and production recording and formation fluid composition sampling. It is important to note that normally, CO 2 EOR pilots are less efficient than commercial operations due to lack of directional and precise well control, lack of surface facilities for CO 2 recycling, and other factors. As a result of this pilot CO 2 injection, the observed incremental average oil production increase was ~68% with only ~18% of injected CO 2 produced back. Decline curve analysis forecasts of additional cumulative oil produced were 32.44M STB to the end of 2027. Wellington Mississippian pilot efficiency by the end of forecast calculations is 11 MCF per barrel of produced oil. Using 32M STB oil production and $1,964,063 cost of CO 2 , CO 2 EOR cost per barrel of oil production is ~$60. Simple but robust monitoring technologies proved to be very efficient in detecting and locating CO 2 . High CO 2 reservoir retentions with low yields within an actively producing field could help to estimate real-world risks of CO 2 geological storage for future projects. The Wellington Field CO 2 EOR was executed in a controlled environment with high efficiency. This case study proves that CO 2 EOR could be successfully applied in Kansas carbonate reservoirs if CO 2 sources and associated infrastructure are available. Recent developments in unconventional resources development in Mid-Continent USA and associated large volume disposal of backflow water and the resulting seismic activity have brought more focus and attention to the Arbuckle Group in southern Kansas. Despite the commercial interest, limited essential information about reservoir properties and structural elements has impeded the management and regulation of disposal, an issue brought to the forefront by recent seismicity in and near areas of large volumes and rates of brine disposal. The Kansas Geological Survey (KGS) collected, compiled, and analyzed available data, including well logs, core data, step rate tests, drill stem tests, 2-D and 3-D seismic data, water level measurements, and others types of data. Several exploratory wells were drilled and core was collected and modern suites of logs were analyzed. Reservoir properties were populated into several site-specific geological models. The geological models illustrate the highly heterogeneous nature of the Arbuckle Group. Vertical and horizontal variability results in several distinct hydro-stratigraphic units that are the result of both depositional and diagenetic processes. During the course of this project, it has been demonstrated that advanced seismic interpretation methods can be used successfully for characterization of the Mississippian reservoir and Arbuckle saline aquifer. Analysis of post-stack 3-D seismic data at the Mississippian reservoir showed the response of a gradational velocity transition. Pre-stack gather analysis showed that porosity zones of the Mississippian and Arbuckle reservoirs exhibit characteristic amplitude versus offset (AVO) response. Simultaneous AVO inversion estimated P- and S-impedances. The 3-D survey gather azimuthal anisotropy analysis (AVAZ) provided information about the fault and fracture network and showed good agreement to the regional stress field and well data. Mississippian reservoir porosity and fracture predictions agreed well with the observed mobility of injected CO 2 in KGS well 2-32. Fluid substitution modeling predicted acoustic impedance reduction in the Mississippian carbonate reservoir introduced by the presence of CO 2 . Seismicity in the United States midcontinent has increased by orders of magnitude over the past decade. Spatiotemporal correlations of seismicity to wastewater injection operations have suggested that injection-related pore fluid pressure increases are inducing the earthquakes. In this investigation, we examine earthquake occurrence in southern Kansas and northern Oklahoma and its relation to the change in pore pressure. The main source of data comes from the Wellington Array in the Wellington oil field, in Sumner County, Kansas, which has monitored for earthquakes in central Sumner County, Kansas, since early 2015. The seismometer array was established to monitor CO 2 injection operations at Wellington Field. Although no seismicity was detected in association with the spring 2016 Mississippian CO 2 injection, the array has recorded more than 2,500 earthquakes in the region and is providing valuable understanding to induced seismicity. A catalog of earthquakes was built from this data and was analyzed for spatial and temporal changes, stress information, and anisotropy information. The region of seismic concern has been shown to be expanding through use of the Wellington earthquake catalog, which has revealed a northward progression of earthquake activity reaching the metropolitan area of Wichita. The stress orientation was also calculated from this earthquake catalog through focal mechanism inversion. The calculated stress orientation was confirmed through comparison to other stress measurements from well data and previous earthquake studies in the region. With this knowledge of the stress orientation, the anisotropy in the basement could be understood. This allowed for the anisotropy measurements to be correlated to pore pressure increases. The increase in pore pressure was monitored through time-lapse shear-wave anisotropy analysis. Since the onset of the observation period in 2010, the orientation of the fast shear wave has rotated 90°, indicating a change associated with critical pore pressure build up. The time delay between fast and slow shear wave arrivals has increased, indicating a corresponding increase in anisotropy induced by pore pressure rise. In-situ near-basement fluid pressure measurements corroborate the continuous pore pressure increase revealed by the shear-wave anisotropy analysis over the earthquake monitoring period. This research is the first to identify a change in pore fluid pressure in the basement using seismological data and it was recently published in the AAAS journal Science Advances (Nolte et al., 2017). The shear-wave splitting analysis is a novel application of the technique, which can be used in other regions to identify an increase in pore pressure. This increasing pore fluid pressure has become more regionally extensive as earthquakes are occurring in southern Kansas, where they previously were absent. These monitoring techniques and analyses provide new insight into mitigating induced seismicity’s impact on society.

02 PETROLEUM↗

Solvation Environment and Interface Dynamics of Li 2 B 12 H 12 and Li 2 B 12 F 12 Electrolytes Uncovered by Theory and Operando Optical and FTIR Spectroelectrochemistry

In this work, we evaluated two closo-borate salts (Li 2 B 12 H 12 and Li 2 B 12 F 12 ) in propylene carbonate from theoretical and experimental perspectives to understand how the coordination environment influences their spectroscopic and electrochemical properties. The coordination environments of the closo-borate salts were modeled via density functional theory (DFT) and molecular dynamics (MD). Vibrational spectra calculated from the predicted coordination environments are in agreement with experimentally measured steady-state FTIR data. This theoretical investigation also suggested that Li 2 B 12 F 12 would possess a higher ionic conductivity than Li 2 B 12 H 12 , which was corroborated experimentally. Additionally, an electrochemical cell was designed and fabricated that enabled operando optical and FTIR spectroelectrochemical (OP-IR-SEC) measurements. This allowed for the simultaneous measurement of the relative changes of species at a lithium electrode-liquid electrolyte interface and the visualization of lithium plating at the electrode surface. This technique could provide new chemical insights and potentially link optical changes at the electrode–electrolyte interface to specific chemical species in similar electrochemical systems. The Li 2 B 12 F 12 electrolyte was found to have a higher thermal stability, which may find utility in applications for batteries that are subject to high-temperature conditions.

36 MATERIALS SCIENCE↗

Molecular Level Differences in Ionic Solvation and Transport Behavior in Ethylene Oxide-Based Homopolymer and Block Copolymer Electrolytes

Block copolymer electrolytes (BCE) such as polystyrene-block-poly(ethylene oxide) (SEO) blended with lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) and composed of mechanically robust insulating and rubbery conducting nanodomains are promising solid-state electrolytes for Li batteries. Here, we compare ionic solvation, association, distribution, and conductivity in SEO-LiTFSI BCEs and their homopolymer PEO-LiTFSI analogs toward a fundamental understanding of the maximum in conductivity and transport mechanisms as a function of salt concentration. Ionic conductivity measurements reveal that SEO-LiTFSI and PEO-LiTFSI exhibit similar behaviors up to a Li/EO ratio of 1/12, where roughly half of the available solvation sites in the system are filled, and conductivity is maximized. As the Li/EO ratios increase to 1/5 the conductivity, of the PEO-LiTFSI drops nearly 3-fold, while the conductivity of SEO-LiTFSI remains constant. FTIR spectroscopy reveals that additional Li cations in the homopolymer electrolyte are complexed by additional EO units when the Li/EO ratio exceeds 1/12, while in the BCE, the proportion of complexed and uncomplexed EO units remains constant; Raman spectroscopy data at the same concentrations show that Li cations in the SEO-LiTFSI samples tend to coordinate more to their counteranions. Atomistic-scale molecular dynamics simulations corroborate these results and further show that associated ions tend to segregate to the SEO-LiTFSI domain interfaces. The opportunity for "excess" salt to be sequestered at BCE interfaces results in the retention of an optimum ratio of uncompleted and complexed PEO solvation sites in the middle of the conductive nanodomains of the BCE and maximized conductivity over a broad range of salt concentrations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Characteristics of hypervelocity impact craters on LDEF experiment S1003 and implications of small particle impacts on reflective surfaces

The Ion Beam textured and coated surfaces EXperiment (IBEX), designated S1003, was flown on LDEF at a location 98 deg in a north facing direction relative to the ram direction. Thirty-six diverse materials were exposed to the micrometeoroid (and some debris) environment for 5.8 years. Optical property measurements indicated no changes for almost all of the materials except S-13G, Kapton, and Kapton-coated surfaces, and these changes can be explained by other environmental effects. From the predicted micrometeoroid flux of NASA SP-8013, no significant changes in optical properties of the surfaces due to micrometeoroids were expected. There were hypervelocity impacts on the various diverse materials flown on IBEX, and the characteristics of these craters were documented using scanning electron microscopy (SEM). The S1003 alumigold-coated aluminum cover tray was sectioned into 2 cm x 2 cm pieces for crater documentation. The flux curve generated from this crater data fits well between the 1969 micrometeoroid model and the Kessler debris model for particles less than 10(exp -9) gm which were corrected for the S1003 positions (98 deg to ram). As the particle mass increases, the S1003 impact data is greater than that predicted by even the debris model. This, however, is consistent with data taken on intercostal F07 by the Micrometeoroid/Debris Special Investigating Group (M/D SIG). The mirrored surface micrometeoroid detector flown on IBEX showed no change in solar reflectance and corroborated the S1003 flux curve, as well as results of this surface flown on SERT 2 and OSO 3 for as long as 21 years.

Mirtich, Michael J.↗

Ultrasonic Spectroscopy of Stainless Steel Sandwich Panels

Enhanced, lightweight material systems, such as 17-4PH stainless steel sandwich panels are being developed for use as fan blades and fan containment material systems for next generation engines. In order to improve the production for these systems, nondestructive evaluation (NDE) techniques, such as ultrasonic spectroscopy, are being utilized to evaluate the brazing quality between the 17-4PH stainless steel face plates and the 17-4PH stainless steel foam core. Based on NDE data, shear tests are performed on sections representing various levels of brazing quality from an initial batch of these sandwich structures. Metallographic characterization of brazing is done to corroborate NDE findings and the observed shear failure mechanisms.

Cosgriff, Laura M.↗

Simulation study of chemo-mechanical impacts of CO 2 injection in morrow b sandstone reservoir

Here, this study investigates the impacts of geomechanical and geochemical changes on carbon storage in a partially depleted oil reservoir, using results from four different coupled simulation models. Models were used to examine the relative importance of storage mechanisms, and how changing reservoir parameters might affect these mechanisms through time. The study uses data from a Morrowan sandstone reservoir in the Farnsworth Unit (FWU), Ochiltree County, Texas which is currently undergoing CO 2 enhanced oil recovery (EOR). Partially depleted oil reservoirs such as the FWU offer attractive carbon utilization and/or storage targets because of existing infrastructure and economic benefits from incremental oil recovery as well as tax credits. However, prediction of storage capacity or long-term fluid migration in these fields can be difficult because of the wide variation in formation fluids and operational histories that may have undergone. CO 2 injection can cause complex geomechanical and geochemical responses in a reservoir as a result of interplay between dynamic changes in pore pressure, reservoir temperature, fluid composition, and interactions between formation fluids, CO 2 , and reservoir rock. Thus, multiple coupled numerical simulation models must be developed and used to more precisely understand what CO 2 storage mechanisms are most significant, as well as the long-term fate of the stored CO 2 . Our study used results from hydrodynamic, coupled hydro-geomechanical, coupled hydro-geochemical, and coupled hydro-geomechanical-geochemical models to examine how changes in geomechanical and geochemical properties can impact the injectivity or storage capacity of CO 2 . Models simulated historical field operations and then forward-modeled a water-alternate-gas (WAG) operation for 20 years, followed by a 1000-year post-injection monitoring. The work demonstrates that in this specific reservoir, geomechanical impacts appear to be more significant than any geochemical processes, which showed minimal impact on reservoir properties. Furthermore, these simulation scenarios corroborated other studies showing more than 90% of CO 2 injected are being stored and will remain stored in the reservoir. The study was able to draw on a rich set of data from this currently operational project for the work. Because the Morrow is a widespread oil-bearing reservoir in the midcontinent of the United States and is fairly typical of many sandstone reservoirs elsewhere, the study has significance beyond the boundaries of our field area.

58 GEOSCIENCES↗

X-ray photoelectron spectroscopy analysis for the chemical impact of solvent addition rate on electromagnetic shielding effectiveness of HCl-doped polyaniline nanopowders

An in-depth analysis of the chemical functionality in HCl-doped polyaniline (PANI) nanopowders is discussed through interpretations of x-ray photoelectron spectra. The distinctions between three PANI sample types, produced under varied synthesis conditions, are compared on the basis correlations between newly collected electron spectra for chemical analysis (or also x-ray photoelectron spectroscopy) and electromagnetic (EM) shielding effectiveness (SE) within two frequency bands (100–1500 MHz and ∼2–14 GHz). The findings are discussed with reference to previous data analysis of electrical conductivities and Raman and UV-vis spectra analyzed from replicates of the same PANI nanopowders, where only the 8–12 GHz range for SE was tested. They further corroborate previous results for limited-solvent conditions that enhance EM shielding. The three nanopowder types show distinctive differences in polaron, bipolaron, and polar lattice contributions. The collective findings describe the chemical connections between controlling and, most importantly, limiting the available solvent for polymerization with simultaneously doping and how it is that the newly developed solvent-limited approach for HCl-PANI nanopowders provides better shielding than traditionally solvent-rich methods by having more extended and perhaps even faster polaron delocalization than other PANI-based products. The maximum oxidation (50%) and doping (49%) levels obtained in the solvent-free nanopowders also produced the highest SE values of 37.3 ± 3.7 dB (MHz band) and 68.6 ± 4.6 dB (GHz band)

36 MATERIALS SCIENCE↗

Correlating Local Compositions and Structures with the Macroscopic Optical Properties of Ce 3+ -Doped CaSc 2 O 4 , an Efficient Green-Emitting Phosphor

Calcium scandate (CaSc 2 O 4 ) substituted with small amounts (<1%) of Ce 3+ is a recently discovered bright-green-emitting phosphor with favorable light absorption and emission properties and robust temperature stability that make it well-suited for solid-state white-lighting applications. Combined analyses of scattering, solid-state nuclear magnetic resonance (NMR), electron paramagnetic resonance (EPR), and photoluminescence measurements establish the compositional and structural origins of the macroscopic optical properties of this phosphor material. Simultaneous refinements of synchrotron X-ray and neutron diffraction data of Ce 3+ -doped CaSc 2 O 4 enable the average crystal structure to be determined, which is shown to correspond to an exceedingly rigid host structure, as corroborated by density functional theory (DFT) calculations. Such structural rigidity leads to high quantum efficiency, which is optimized by the substitution of as little as 0.5 mol % of Ce 3+ for Ca 2+ ions, with higher extents of Ce 3+ substitution leading to decreased photoluminescent quantum yields. Solid-state 43 Ca and 45 Sc magic-angle spinning (MAS) NMR spectra are sensitive to the effects of the paramagnetic Ce 3+ dopant ions on nearby atoms in the host structure and yield evidence for local structural distortions. EPR measurements provide direct insights on structures of the Ce 3+ ions, as a function of Ce 3+ substitution. The combined scattering and spectroscopic analyses yield detailed new understanding of the local and long-range structures of Ce 3+ -doped CaSc 2 O 4 , which account for the sensitive composition-dependent optical properties of this important phosphor material.

36 MATERIALS SCIENCE↗

A relation between Balmer and soft X-ray emission in flares

Data are presented on 370 solar flares simultaneously observed and classified in H-alpha and in the GOES (1-8 A) soft X-ray band. SMM observations corroborate the association of the GOES and the H-alpha events in all cases. These flares are used to examine the correlation proposed recently by Butler, Rodono and Foing (1988).

Haisch, B. M.↗

Soil Moisture Active Passive Mission L4_SM Data Product Assessment (Version 2 Validated Release)

During the post-launch SMAP calibration and validation (Cal/Val) phase there are two objectives for each science data product team: 1) calibrate, verify, and improve the performance of the science algorithm, and 2) validate the accuracy of the science data product as specified in the science requirements and according to the Cal/Val schedule. This report provides an assessment of the SMAP Level 4 Surface and Root Zone Soil Moisture Passive (L4_SM) product specifically for the product's public Version 2 validated release scheduled for 29 April 2016. The assessment of the Version 2 L4_SM data product includes comparisons of SMAP L4_SM soil moisture estimates with in situ soil moisture observations from core validation sites and sparse networks. The assessment further includes a global evaluation of the internal diagnostics from the ensemble-based data assimilation system that is used to generate the L4_SM product. This evaluation focuses on the statistics of the observation-minus-forecast (O-F) residuals and the analysis increments. Together, the core validation site comparisons and the statistics of the assimilation diagnostics are considered primary validation methodologies for the L4_SM product. Comparisons against in situ measurements from regional-scale sparse networks are considered a secondary validation methodology because such in situ measurements are subject to up-scaling errors from the point-scale to the grid cell scale of the data product. Based on the limited set of core validation sites, the wide geographic range of the sparse network sites, and the global assessment of the assimilation diagnostics, the assessment presented here meets the criteria established by the Committee on Earth Observing Satellites for Stage 2 validation and supports the validated release of the data. An analysis of the time average surface and root zone soil moisture shows that the global pattern of arid and humid regions are captured by the L4_SM estimates. Results from the core validation site comparisons indicate that "Version 2" of the L4_SM data product meets the self-imposed L4_SM accuracy requirement, which is formulated in terms of the ubRMSE: the RMSE (Root Mean Square Error) after removal of the long-term mean difference. The overall ubRMSE of the 3-hourly L4_SM surface soil moisture at the 9 km scale is 0.035 cubic meters per cubic meter requirement. The corresponding ubRMSE for L4_SM root zone soil moisture is 0.024 cubic meters per cubic meter requirement. Both of these metrics are comfortably below the 0.04 cubic meters per cubic meter requirement. The L4_SM estimates are an improvement over estimates from a model-only SMAP Nature Run version 4 (NRv4), which demonstrates the beneficial impact of the SMAP brightness temperature data. L4_SM surface soil moisture estimates are consistently more skillful than NRv4 estimates, although not by a statistically significant margin. The lack of statistical significance is not surprising given the limited data record available to date. Root zone soil moisture estimates from L4_SM and NRv4 have similar skill. Results from comparisons of the L4_SM product to in situ measurements from nearly 400 sparse network sites corroborate the core validation site results. The instantaneous soil moisture and soil temperature analysis increments are within a reasonable range and result in spatially smooth soil moisture analyses. The O-F residuals exhibit only small biases on the order of 1-3 degrees Kelvin between the (re-scaled) SMAP brightness temperature observations and the L4_SM model forecast, which indicates that the assimilation system is largely unbiased. The spatially averaged time series standard deviation of the O-F residuals is 5.9 degrees Kelvin, which reduces to 4.0 degrees Kelvin for the observation-minus-analysis (O-A) residuals, reflecting the impact of the SMAP observations on the L4_SM system. Averaged globally, the time series standard deviation of the normalized O-F residuals is close to unity, which would suggest that the magnitude of the modeled errors approximately reflects that of the actual errors. The assessment report also notes several limitations of the "Version 2" L4_SM data product and science algorithm calibration that will be addressed in future releases. Regionally, the time series standard deviation of the normalized O-F residuals deviates considerably from unity, which indicates that the L4_SM assimilation algorithm either over- or under-estimates the actual errors that are present in the system. Planned improvements include revised land model parameters, revised error parameters for the land model and the assimilated SMAP observations, and revised surface meteorological forcing data for the operational period and underlying climatological data. Moreover, a refined analysis of the impact of SMAP observations will be facilitated by the construction of additional variants of the model-only reference data. Nevertheless, the “Version 2” validated release of the L4_SM product is sufficiently mature and of adequate quality for distribution to and use by the larger science and application communities.

SMAP L4_SM↗

Determination of Grain Boundary Charging in Cu(In,Ga)Se2 Thin Films: Preprint

Surface potential mapping of Cu(In,Ga)Se2 (CIGS) thin films using scanning Kelvin probe force microscopy (SKPFM) aims to understand the minority-carrier recombination at the grain boundaries (GBs) of this polycrystalline material by examining GB charging, which has resulted in a number of publications. However, the reported results are highly inconsistent. In this paper, we report on thepotential mapping by measuring wide-bandgap or high-Ga-content films and by using a complementary atomic force microscopy-based electrical technique of scanning capacitance microscopy (SCM). The results demonstrate consistent, positively charged GBs on our high-quality films with minimal surface defects/charges. The potential image taken on a low-quality film with a 1.2-eV bandgap showssignificantly degraded potential contrast on the GBs and degraded potential uniformity on grain surfaces, resulting from the surface defects/charges of the low-quality film. In contrast, the potential image on an improved high-quality film with the same wide bandgap shows significantly improved GB potential contrast and surface potential uniformity, indicating that the effect of surface defectsis critical when examining GB charging using surface potential data. In addition, we discuss the effect of the SKPFM setup on the validity of potential measurement, to exclude possible artifacts due to improper SKPFM setups. The SKPFM results were corroborated by using SCM measurements on the films with a CdS buffer layer. The SCM image shows clear GB contrast, indicating different electricalimpedance on the GB from the grain surface. Further, we found that the GB contrast disappeared when the CdS window layer was deposited after the CIGS film was exposed extensively to ambient, which was caused by the creation of CIGS surface defects by the ambient exposure.

14 SOLAR ENERGY↗