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At least 1,369 records · Page 76

Near Quantitative Removal of Selenate and Sulfate Anions from Wastewaters by Cocrystallization with Chelating Hydrogen-Bonding Guanidinium Ligands

Selenium (Se) has become an environmental contaminant of aquatic ecosystems as a result of human activities, particularly mining, fossil fuel combustion, and agricultural activities. By leveraging the high sulfate concentrations relative to Se oxyanions (i.e., SeO n 2– , n = 3, 4) present in some wastewaters, we have developed an efficient approach to Se-oxyanion removal by cocrystallization with bisiminoguanidinium (BIG) ligands that form crystalline sulfate/selenate solid solutions. The crystallization of the sulfate, selenate and selenite, oxyanions and of sulfate/selenate mixtures with five candidate BIG ligands are reported along with the thermodynamics of crystallization and aqueous solubilities. Oxyanion removal experiments with the top two performing candidate ligands show a near quantitative removal (>99%) of sulfate or selenate from solution. When both sulfate and selenate are present, there is near quantitative removal (>99%) of selenate, down to sub-ppb Se levels, with no discrimination between the two oxyanions during cocrystallization. Reducing the selenate concentrations by 3 orders of magnitude or more relative to sulfate, as found in many wastewaters, led to no measurable loss in Se removal efficiencies. This work offers a simple and effective alternative to selective separation of trace amounts of highly toxic selenate oxyanions from wastewaters, to meet stringent regulatory discharge limits.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Can Convolution and Deconvolution Be Used as Tools for Modeling Multicomponent, Mixing-Limited Reaction Networks?

Transfer functions (i.e., convolutions) have been powerful tools for both forward modeling and reconstructing past states of transport systems in a wide range of subsurface flow problems. The advantage of the transfer function is that it is a simple alternative to complicated, distributed parameter models of flow and transport, but the majority of applications of transfer functions in hydrology have been limited to relatively simple cases, like passive tracers or first-order decay. The central question evaluated in this note is whether or not multicomponent mixing-limited reactive transport can be represented within a transfer function framework. Our examples consider forward-in-time predictions and backward-in-time reconstructions of a carbonate system that represents the intrusion of seawater into a freshwater aquifer. The main result is that accurate forward-in-time and backward-in-time models are developed by posing the problem in terms of conservative components. As with all convolution-based methods, the results are sensitive to errors and/or noise in the input functions, but we show that smoothed approximations of the requisite functions provide good representations of transport. Given the vast unknowns in any subsurface transport problem, such generalized, reactive transfer function models may have yet unexplored advantages when the trade-offs between overall computational cost, accuracy, and uncertainty are explored in more detail.

42 ENGINEERING↗

The role of the tropical Atlantic in tropical Pacific climate variability

Abstract Interactions between Atlantic and Pacific Oceans can affect tropical Pacific variability and its global impacts at both interannual and decadal timescales. Thus, a deepened understanding of the coupled Atlantic-Pacific interactions is needed. While possible dynamical mechanisms by which the Atlantic can influence the Pacific have been identified, the effectiveness of those mechanisms is difficult to establish using climate model simulations where Atlantic sea surface temperatures (SSTs) are prescribed and Pacific feedbacks cannot be realistically included. As an alternative approach, here we use a Linear Inverse Model (LIM) trained on observations and capable of correctly reproducing the observed statistics, to assess the relative role of the Atlantic-to-Pacific and Pacific-to-Atlantic influences on tropical Pacific variability. Our results indicate that Atlantic internal variability can enhance interannual SST anomalies in the eastern equatorial Pacific, and decadal SST anomalies in the central equatorial Pacific, while Pacific influences on the Atlantic significantly damp tropical Pacific decadal variability. This methodological framework could also be used to assess climate model fidelity in representing tropical basin interactions, helping to reconcile existing differences among models’ results.

Meteorology & Atmospheric Sciences↗

Quantifying uncertainty in analysis of shockless dynamic compression experiments on platinum. II. Bayesian model calibration

Dynamic shockless compression experiments provide the ability to explore material behavior at extreme pressures but relatively low temperatures. Typically, the data from these types of experiments are interpreted through an analytic method called Lagrangian analysis. Here, in this work, alternative analysis methods are explored using modern statistical methods. Specifically, Bayesian model calibration is applied to a new set of platinum data shocklessly compressed to 570 GPa. Several platinum equation-of-state models are evaluated, including traditional parametric forms as well as a novel non-parametric model concept. The results are compared to those in Paper I obtained by inverse Lagrangian analysis. The comparisons suggest that Bayesian calibration is not only a viable framework for precise quantification of the compression path, but also reveals insights pertaining to trade-offs surrounding model form selection, sensitivities of the relevant experimental uncertainties, and assumptions and limitations within Lagrangian analysis. The non-parametric model method, in particular, is found to give precise unbiased results and is expected to be useful over a wide range of applications. The calibration results in estimates of the platinum principal isentrope over the full range of experimental pressures to a standard error of 1.6%, which extends the results from Paper I while maintaining the high precision required for the platinum pressure standard.

Brown, Justin Lee↗

Synchrotron and inverse-Compton emissions from pairs formed in GRB afterglows (analytical treatment)

We calculate the synchrotron and inverse-Compton emissions from pairs formed in gamma-ray burst (GRB) afterglows from high-energy photons (above 100 MeV), assuming a power-law photon spectrum C {sub ν}∝ν{sup –2} and considering only the pairs generated from primary high-energy photons. The essential properties of these pairs (number, minimal energy, cooling energy, distribution with energy) and of their emission (peak flux, spectral breaks, spectral slope) are set by the observables GeV fluence Φ(t) = Ft and spectrum, and by the Lorentz factor, Γ, and magnetic field, B, of the source of high-energy photons, at observer time, t. Optical and X-ray pseudo light curves, F {sub ν}(Γ), are calculated for the given B; proper synchrotron self-Compton light curves are calculated by setting the dynamics Γ(t) of the high-energy photon source to be that of a decelerating, relativistic shock. It is found that the emission from pairs can accommodate the flux and decays of the optical flashes measured during the prompt (GRB) phase, but it decays faster than the X-ray plateaus observed during the delayed (afterglow) phase. The brightest pair optical emission is obtained for 100 < Γ < 500, and depends mostly on the GeV fluence, being independent of the source redshift. Emission from pairs formed during the GRB phase offers an alternate explanation to reverse-shock optical flashes. These two models may be distinguished based on their corresponding flux decay index-spectral slope relations, different correlations with the Large Area Telescope fluence, or through modeling of the afterglow multiwavelength data.

79 ASTRONOMY AND ASTROPHYSICS↗

Structure of an unusual S -adenosylmethionine synthetase from Campylobacter jejuni

S -Adenosylmethionine (AdoMet) participates in a wide range of methylation and other group-transfer reactions and also serves as the precursor for two groups of quorum-sensing molecules that function as regulators of the production of virulence factors in Gram-negative bacteria. The synthesis of AdoMet is catalyzed by AdoMet synthetases (MATs), a ubiquitous family of enzymes found in species ranging from microorganisms to mammals. The AdoMet synthetase from the bacterium Campylobacter jejuni ( cj MAT) is an outlier among this homologous enzyme family, with lower sequence identity, numerous insertions and substitutions, and higher catalytic activity compared with other bacterial MATs. Alterations in the structure of this enzyme provide an explanation for its unusual dimeric quaternary structure relative to the other MATs. Taken together with several active-site substitutions, this new structure provides insights into its improved kinetic properties with alternative substrates.

Zano, Stephen P.↗

Application of the diagnostic radiological index of protection to protective garments

Purpose: Previously, the diagnostic radiological index of protection (DRIP) was proposed as a metric for quantifying the protective value of radioprotective garments. The DRIP is a weighted sum of the percent transmissions of different radiation beams through a garment. Ideally, the beams would represent the anticipated stray radiation encountered during clinical use. However, it is impractical to expect a medical physicist to possess the equipment necessary to accurately measure transmission of scattered radiation. Therefore, as a proof of concept, the authors tested a method that applied the DRIP to clinical practice. Methods: Primary beam qualities used in interventional cardiology and radiology were observed and catalogued. Based on the observed range of beam qualities, five representative clinical primary beam qualities, specified by kV and added filtration, were selected for this evaluation. Monte Carlo simulations were performed using these primary beams as source definitions to generate scattered spectra from the clinical primary beams. Using numerical optimization, ideal scatter mimicking primary beams, specified by kV and added aluminum filtration, were matched to the scattered spectra according to half- and quarter-value layers and spectral shape. To within reasonable approximation, these theoretical scatter-mimicking primary beams were reproduced experimentally in laboratory x ray beams and used to measure transmission through pure lead and protective garments. For this proof of concept, the DRIP for pure lead and the garments was calculated by assigning equal weighting to percent transmission measurements for each of the five beams. Finally, the areal density of lead and garments was measured for consideration alongside the DRIP to assess the protective value of each material for a given weight. Results: The authors identified ideal scatter mimicking primary beams that matched scattered spectra to within 0.01 mm for half- and quarter-value layers in copper and within 5% for the shape function. The corresponding experimental scatter-mimicking primary beams matched the Monte Carlo generated scattered spectra with maximum deviations of 6.8% and 6.6% for half- and quarter-value layers. The measured DRIP for 0.50 mm lead sheet was 2.0, indicating that it transmitted, on average, 2% of incident radiation. The measured DRIP for a lead garment and one lead-alternative garment closely matched that for pure lead of 0.50 mm thickness. The DRIP for other garments was substantially higher than 0.50 mm lead (3.9–5.4), indicating they transmitted about twice as much radiation. When the DRIP was plotted versus areal density, it was clear that, of the garments tested, none were better than lead on a weight-by-weight basis. Conclusions: A method for measuring the DRIP for protective garments using scatter-mimicking primary beams was developed. There was little discernable advantage in protective value per unit weight for lead-alternative versus lead-only garments. Careful consideration must be given to the balance of protection and weight when choosing a lead-alternative protective garment with a lower specified “lead equivalence,” e.g., 0.35 mm. The DRIP has the potential to resolve this dilemma. Reporting the DRIP relative to areal density is an ideal metric for objective comparisons of protective garment performance, considering both protective value in terms of transmission of radiation and garment weight.

60 APPLIED LIFE SCIENCES↗

Benchmarking Demand Flexibility in Commercial Buildings and Flattening the Duck – Addressing Baseline and Commissioning Challenges

With the transition from our traditional electric grid to a cleaner grid with renewable power generation, there is a need to enable building loads to be flexible. Load shedding and shifting will be essential for flattening the “Duck” for decarbonization. This paper explored the trend in the timing of DR events as a reflection of the grid’s needs using recent four years of event data from 203 retail stores in 11 states. The events are becoming significantly shorter with 2-hour duration being the most popular; shifting to late afternoon and early evening is another trend beyond California. Benchmarking will be essential for accounting DF as a reliable grid resource. This paper addresses a challenging aspect of benchmarking – inaccuracies in counterfactual baseline methods can introduce significant DF metrics variations in addition to weather and building characteristics related factors. The conventional “10/10” with adjustment baseline method has inherent limitation by design for load shifting applications. Therefore, it is imperative to identify alternative methods. This study compared three hourly regression baseline methods with “10/10” methods using two groups of commercial buildings that participated in DR programs: (1) 121 big-box retail stores, and (2) 11 office buildings in CA. The 14-day hourly outdoor temperature regression method was found to produce least error in the tested datasets and is promising for load shifting. The paper also pointed out that commissioning issues can also be a significant barrier for achieving consistent DF performance, which building managers and utilities should be aware of.

Liu, Jingjing↗

Strategy for Fuel Rod Receipt, Characterization, Sample Allocation for the Demonstration Sister Rods

The U.S. Department of Energy Office of Nuclear Energy (DOE-NE), Office of Fuel Cycle Technology, has established the Used Fuel Disposition Campaign (UFDC) to conduct the research and development activities related to storage, transportation, and disposal of used nuclear fuel and high-level radioactive waste. The mission of the UFDC is to identify alternatives and conduct scientific research and technology development to enable storage, transportation and disposal of used nuclear fuel (UNF) and wastes generated by existing and future nuclear fuel cycles. The UFDC Storage and Transportation staffs are responsible for addressing issues regarding the extended or long-term storage of UNF and its subsequent transportation. The near-term objectives of the Storage and Transportation task are to use a science-based approach to develop the technical bases to support the continued safe and secure storage of UNF for extended periods, subsequent retrieval, and transportation. While low burnup fuel [that characterized as having a burnup of less than 45 gigawatt days per metric tonne uranium (GWD/MTU)] has been stored for nearly three decades, the storage of high burnup used fuels is more recent. The DOE has funded a demonstration project to confirm the behavior of used high burnup fuel under prototypic conditions. The Electric Power Research Institute (EPRI) is leading a project team to develop and implement the Test Plan to collect this data from a UNF dry storage system containing high burnup fuel. The Draft Test Plan for the demonstration outlines the data to be collected; the high burnup fuel to be included; the technical data gaps the data will address; and the storage system design, procedures, and licensing necessary to implement the Test Plan. To provide data that is most relevant to high burnup fuel in dry storage, the design of the test storage system must closely mimic real conditions high burnup SNF experiences during all stages of dry storage: loading, cask drying, inert gas backfilling, and transfer to an Independent Spent Fuel Storage Installation (ISFSI) for multi-year storage. To document the initial condition of the used fuel prior to emplacement in a storage system, “sister ” fuel rods will be harvested and sent to a national laboratory for characterization and archival purposes. This report supports the demonstration by describing how sister rods will be shipped and received at a national laboratory, and recommending basic nondestructive and destructive analyses to assure the fuel rods are adequately characterized for UFDC work. For this report, a hub-and-spoke model is proposed, with one location serving as the hub for fuel rod receipt and characterization. In this model, fuel and/or clad would be sent to other locations when capabilities at the hub were inadequate or nonexistent. This model has been proposed to reduce DOE-NE’s obligation for waste cleanup and decontamination of equipment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Effect of Accounting for Crash Severity on the Relationship between Mass Reduction and Crash Frequency and Risk per Crash

Previous analyses have indicated that mass reduction is associated with an increase in crash frequency (crashes per VMT), but a decrease in fatality or casualty risk once a crash has occurred, across all types of light-duty vehicles. These results are counter-intuitive: one would expect that lighter, and perhaps smaller, vehicles have better handling and shorter braking distances, and thus should be able to avoid crashes that heavier vehicles cannot. And one would expect that heavier vehicles would have lower risk once a crash has occurred than lighter vehicles. However, these trends occur under several alternative regression model specifications. This report tests whether these results continue to hold after accounting for crash severity, by excluding crashes that result in relatively minor damage to the vehicle(s) involved in the crash. Excluding non-severe crashes from the initial LBNL Phase 2 and simultaneous two-stage regression models for the most part has little effect on the unexpected relationships observed in the baseline regression models. This finding suggests that other subtle differences in vehicles and/or their drivers, or perhaps biases in the data reported in state crash databases, are causing the unexpected results from the regression models.

99 GENERAL AND MISCELLANEOUS↗

Boron-coated straw neutron detector for well-logging-Final Technical Report

The Oil & Gas exploration industry makes extensive use of radiation detectors for well logging – a geologic formation map that reveals crucial information for the viability of oil/gas extraction in surveyed wells. Helium-3 gas filled neutron detectors have been the gold standard for neutron porosity logs, one of two components in nuclear logging (gamma ray logs being the other component). The finite supply of 3He gas has dwindled in recent years due to an increased use in Homeland Security applications; therefore the need for alternative technologies that would ensure oil & gas exploration for coming years.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Factors that Impact the Redox Kinetics Associated with Sr1-xAxFeO3 (A = Ca, Ba) in Air Separations Technologies

Perovskite oxides, including SrFeO3-δ, have garnered significant interest for their impressive oxygen storage thermodynamics and kinetics. While traditional oxygen production is performed through cryogenic separation methods at the industrial scale, oxygen carrier-based separations have offered an attractive alternative at the modular scale. Perovskites are considered ideal oxygen carriers, with their structural flexibility minimizing both the thermodynamic barrier and the structural strain related to the oxygen uptake/release cycle. Our latest work has identified a few major factors that directly impact the oxygen release thermodynamics and kinetics for Sr1-xAxFeO3-δ (A = Ca, Ba) materials including elemental composition, crystallographic symmetry, surface area, and pretreatment conditions. This presentation will discuss these factors using Sr1¬-xCaxFeO3 and Ba1-xSrxFeO3 to illustrate their individual and collective impacts on the design of high-performance oxygen carriers when operating at 300-700 °C. Additionally, we will discuss how each of these factors can be leveraged for the numerous catalytic applications also dependent on the redox properties of mixed metal oxides.

Popczun, Eric↗

Federal Facility Agreement and Consent Order Nevada National Security Site Use Restriction Management Plan, Revision 2

This Use Restriction Management Plan (URMP) provides the information needed to create, modify, and manage use restrictions (URs) for sites on the Nevada National Security Site (NNSS), and sites accessed through the NNSS main gate, that were closed using the corrective action alternative (CAA) of closure in place under the Federal Facility Agreement and Consent Order (FFACO). It addresses URs established under the FFACO for releases related to the development, testing, and production of nuclear weapons that are located on the NNSS and that are accessed through the NNSS main gate. FFACO URs are established at sites where contamination remains at levels exceeding final action levels (FALs) or is forecasted to exceed Safe Drinking Water Act (SDWA) maximum contaminant levels (CFR, 2025a) over the next 1,000 years following completion of corrective actions. Administrative URs are established at Industrial Sites and Soils sites where contamination remains at levels exceeding industrial action levels as defined in the Soils RBCA document. All URs stipulate restrictions sufficient to ensure the protection of human health, safety, and the environment.

54 ENVIRONMENTAL SCIENCES↗

Study of the single body yawed-wing aircraft concept

Areas relating to the development and improvement of the single-fuselage, yawed-wing transonic transport concept were investigated. These included: (1) developing an alternate configuration with a simplified engine installation;(2) determining a structural design speed placard that would allow the engine-airframe match for optimum airplane performance; and (3) conducting an aeroelastic stability and control analysis of the yawed-wing configuration with a flexible wing. A two-engine, single-fuselage, yawed-wing configuration was developed that achieved the Mach 1.2 design mission at 5560 km (3000 nmi) and payload of 18,140 kg (40,000 lb) with a gross weight of 217,700 kg (480,000 lb). This airplane was slightly heavier than the aft-integrated four-engine configuration that had been developed in a previous study. A modified structural design speed placard, which was determined, resulted in a 6% to 8% reduction in the gross weight of the yawed-wing configurations. The dynamic stability characteristics of the single-fuselage yawed-wing configuration were found to be very dependent on the magnitude of the pitch/roll coupling, the static longitudinal stability, and the dihedral effect.

Kulfan, R. M.↗

User data dissemination concepts for earth resources, appendixes

A number of appendices were presented, dealing with the following topics: (1) a summary of the recommendations for spectral band location from six studies and for six disciplines. (2) demonstration of the LANDSAT scenes required for a satellite of 18-day repeat cycle, and comparison of the data volume associated with scene transmission with the data volume based on length-of-swath estimates, (3) presentation of a sample of the potential user demand projected based on polar orbiter passes over Conus and Alaska, (4) presentation of the nominal and expanded user demands for both Conus and Alaska, (5) derivation of a mathematical relation, (6) tables giving cost calculations for certain data points, (7) presentation of the UOT G/T and link budgets for leased-transponder transmission alternative, and (8) flow charts of the simulation program.

Source record↗

Coordinate transformation and truncation for rotating spacecraft with flexible appendages

The analytical structures of alternative coordinate transformations for the variables that characterize the deformations of finite element models of flexible appendages on rotating spacecraft are examined. Particular emphasis is given to the truncation operations that are essential for efficient numerical simulations of flexible spacecraft, due to the necessarily large number of coordinates employed in a finite element description. A theorem is developed which establishes necessary conditions for the commutativity of the required truncation and inversion operations. The recommended alternative for the rotating elastic appendage is a complex transformation with previously published orthogonality properties, which permit the derivation in this paper of a relatively simple explicit set of transformed and truncated equations of modal vibration in real variables.

Likins, P.↗

Impact of novel energy sources: OTEC, wind, goethermal, biomass

Alternate energy conversion methods such as ocean thermal energy conversion (OTEC), wind power, geothermal wells and biomass conversion are being explored, and re-examined in some cases, for commercial viability. At a time when United States fossil fuel and uranium resources are found to be insufficient to supply national needs into the twenty-first century, it is essential to broaden the base of feasible energy conversion technologies. The motivations for development of these four alternative energy forms are established. Primary technical aspects of OTEC, wind, geothermal and biomass energy conversion systems are described along with a discussion of relative advantages and disadvantages of the concepts. Finally, the sentiment is voiced that each of the four systems should be developed to the prototype stage and employed in the region of the country and in the sector of economy which is complimentary to the form of system output.

Roberts, A. S., Jr.↗

A petrogenetic model of the relationships among achondritic meteorites

Petrological evidence is used to support the hypothesis that although the magma source regions and parent bodies of basaltic achondrite, shergottite, nakhlite, and chassignite meteorites are clearly distinct, they may be simply related. It is proposed that the peridotites which on partial melting generated the parent magmas of the shergottite meteorites differed from those which gave rise to eucritic magmas by being enriched in a component rich in alkalis and other volatiles. Similarly, the source regions of the parent magmas of the nakhlite and chassignite meteorites differed from those on the shergottite parent body by being still richer in this volatile-rich component. These regions could have been related by processes such as mixture of variable amounts of volatile-rich and volatile-poor components in planetary or nebular settings, or alternatively by variable varying degrees of volatile loss from volatile-rich materials.

Stolper, E.↗