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At least 127 records · Page 7

Ion beam sputtering in electric propulsion facilities

Experiments were undertaken to determine sputter yields of potential ion beam target materials, to assess the impact of charge exchange on beam diagnostics in large facilities, and to examine material erosion and deposition after a 957-hour test of a 5 kW-class ion thruster. The xenon ion sputter yield of flexible graphite was lower than other graphite forms especialy at high angles of incidence. Ion beam charge exchange effects were found to hamper beam probe current collection diagnostics even at pressures from 0.7 to 1.7 mPa. Estimates of the xenon ion beam envelope were made and predictions of the thickness of sputter deposited coatings in the facility were compared with measurements.

Sovey, James S.↗

Calculated Reduction Potentials of Electrolyte Species in Lithium–Sulfur Batteries

In this work, reduction potentials of electrolyte molecules in the lithium–sulfur (Li/S) battery and their variations in several solvent environments are studied using the density functional theory method with Dunning’s triple-ζ correlation consistent basis set. Reliable reduction potential values are key for electrolyte additive design needed for suppressing polysulfide dissolution shuttle mechanism, resulting in poor cycle performance and severe self-discharge of the Li/S battery. Although isolated electrolyte molecules have reduction potentials outside the operating voltage range of the Li/S battery, complexation with other electrolyte species enables the electrolyte molecules to be reduced within the operating voltage range. Among the electrolyte species considered in this study, bis(fluorosulfonyl)imide (FSI – ) and fluoroethylene carbonate (FEC) yield reduction potentials within the expected range, suggesting the development of fluorine-containing additives as a promising line of research.

25 ENERGY STORAGE↗

Characterizing Rocky and Gaseous Exoplanets with 2 m Class Space-based Coronagraphs

Several concepts now exist for small, space-based missions to directly characterize exoplanets in reflected light. While studies have been performed that investigate the potential detection yields of such missions, little work has been done to understand how instrumental and astrophysical parameters will affect the ability of these missions to obtain spectra that are useful for characterizing their planetary targets. Here, we develop an instrument noise model suitable for studying the spectral characterization potential of a coronagraph-equipped, space-based telescope. We adopt a baseline set of telescope and instrument parameters appropriate for near-future planned missions like WFIRST-AFTA, including a 2 m diameter primary aperture, an operational wavelength range of 0.4–1.0 μm, and an instrument spectral resolution of λ/Δλ =70, and apply our baseline model to a variety of spectral models of different planet types, including Earth twins, Jupiter twins, and warm and cool Jupiters and Neptunes. With our exoplanet spectral models, we explore wavelength-dependent planet–star flux ratios for main-sequence stars of various effective temperatures and discuss how coronagraph inner and outer working angle constraints will influence the potential to study different types of planets. For planets most favorable to spectroscopic characterization—cool Jupiters and Neptunes as well as nearby super-Earths—we study the integration times required to achieve moderate signal-to-noise ratio spectra. We also explore the sensitivity of the integration times required to either detect the bottom or presence of key absorption bands (for methane, water vapor, and molecular oxygen) to coronagraph raw contrast performance, exozodiacal light levels, and the distance to the planetary system. Decreasing detector quantum efficiency at longer visible wavelengths makes the detection of water vapor in the atmospheres of Earth-like planets extremely challenging, and also hinders detections of the 0.89 μm methane band. Additionally, most modeled observations have noise dominated by dark currents, indicating that improving CCD performance could substantially drive down requisite integration times. Finally, we briefly discuss the extension of our models to a more distant future Large UV-Optical-InfraRed (LUVOIR) mission.

Astrobiology↗

(Phospho)Proteomic dataset of ischemia- and ultrasound- stimulated mouse cardiac endothelial cells in vitro

Cardiac endothelial cells respond to both ischemia and therapeutic ultrasound; the proteomic changes underlying these responses are unknown. This data article provides raw and processed data resulting from our global, unbiased phosphoproteomics investigation conducted on primary mouse cardiac endothelial cells exposed to ischemia (2-hour oxygen glucose deprivation) and ultrasound (250 kHz, 1.2 MPa) in vitro [1]. Proteins were extracted from cell lysates and enriched phosphopeptides were analyzed with a high mass accuracy liquid chromatrography (LC) - tandem mass spectrometry (MS/MS) proteomic platform, yielding multiple alterations in both total protein levels and phosphorylation events in response to ischemic injury and ultrasound. This dataset can be used as a reference for future studies on the cardiac endothelial response to ischemia and the mechanistic underpinnings of the cellular response to ultrasound, with the potential to yield clinically relevant therapeutic targets.

59 BASIC BIOLOGICAL SCIENCES↗

Near-Infrared Spectroscopy can Predict Anatomical Abundance in Corn Stover

Feedstock heterogeneity is a key challenge impacting the deconstruction and conversion of herbaceous lignocellulosic biomass to biobased fuels, chemicals, and materials. Upstream processing to homogenize biomass feedstock streams into their anatomical components via air classification allows for a more tailored approach to subsequent mechanical and chemical processing. Here, we show that differing corn stover anatomical tissues respond differently to pretreatment and enzymatic hydrolysis and therefore, a one-size-fits-all approach to chemical processing biomass is inappropriate. To inform on-line downstream processing, a robust and high-throughput analytical technique is needed to quantitatively characterize the separated biomass. Predictive correlation of near-infrared spectra to biomass chemical composition is such a technique. Here, we demonstrate the capability of models developed using an “off-the-shelf,” industrially relevant spectrometer with limited spectral range to make strong predictions of both cell wall chemical composition and the relative abundance of anatomical components of the corn stover, the latter for the first time ever. Gaussian process regression (GPR) yields stronger correlations (average R 2 v = 88% for chemical composition and 95% for anatomical relative abundance) than the more commonly used partial least squares (PLS) regression (average R 2 v = 84% for chemical composition and 92% for anatomical relative abundance). In nearly all cases, both GPR and PLS outperform models generated using neural networks. These results highlight the potential for coupling NIRS with predictive models based on GPR due to the potential to yield more robust correlations.

09 BIOMASS FUELS↗

Supply Chain for Energy Technologies

Understanding manufacturing cost implications of technologies is critical to aid adoption of next-generation energy solutions. It is important to understand not only of the manufacturing costs and value-add along the supply chain, but also gain understanding of manufacturing location decisions. By identifying a technology's competitive strengths and weaknesses, analyses give researchers and program decision makers the data and insights needed to create strategies and plans that better promote U.S. economic growth and pursue R&D activities that have the greatest long-term potential to yield significant energy savings for U.S. consumers. In this talk, we present examples of analysis from a variety of energy technologies to demonstrate how manufacturing cost analysis can be used to answer specific policy or research questions. In addition, we present case studies showing the importance of understanding trade flow, manufacturing locations, and capacity and utilization to inform economic growth and potential for technology adoption.

benchmarking↗

Trait relationships of fungal decomposers in response to drought using a dual field and laboratory approach

Abstract Decomposer fungi play a fundamental role in terrestrial ecosystem dynamics. In the southwestern United States, climate change is causing more frequent and severe droughts, which may alter fungal community composition and activity. Investigating relationships between fungal traits may improve the prediction of fungal responses to drought. In this dual field and laboratory experiment, we examine whether trade‐offs occur between traits associated with drought. Specifically, we test the hypothesis that fungi sort into lifestyles specializing in growth y ield, resource a cquisition, and drought s tress tolerance (“YAS” framework). For the field experiment, we constructed microbial “cages” containing sterilized litter and 1 of 10 fungal isolates. These cages were placed in long‐term drought and control plots in a southern Californian grassland for 6 and 12 months. We measured fungal hyphal length per unit litter mass loss for growth yield, the potential activities of four extracellular enzymes for resource acquisition, and the ability to grow in the drought versus control plots for drought stress tolerance. We compared these results with a laboratory microcosm experiment constructed with the same fungal isolates and that measured the same fungal traits. The field experiment corroborated our laboratory results, in that no trade‐offs were observed between growth yield and resource acquisition traits. However, in contrast to the laboratory experiment, drought tolerance was negatively related to extracellular enzyme activity and growth yield in the field, implying a trade‐off. Despite this observed trade‐off in the field, growth yield was not hindered by drought. We propose a modification to the YAS framework, by combining the growth yield and resource acquisition lifestyles, which may be more appropriate for this arid system. This joint laboratory and field approach contextualizes a theoretical framework in microbial ecology and improves understanding of fungal community response to climate change.

54 ENVIRONMENTAL SCIENCES↗

Calculation of Water Drop Trajectories to and About Arbitrary Three-Dimensional Bodies in Potential Airflow

Calculations can be performed for any atmospheric conditions and for all water drop sizes, from the smallest cloud droplet to large raindrops. Any subsonic, external, non-lifting flow can be accommodated; flow into, but not through, inlets also can be simulated. Experimental water drop drag relations are used in the water drop equations of motion and effects of gravity settling are included. Seven codes are described: (1) a code used to debug and plot body surface description data; (2) a code that processes the body surface data to yield the potential flow field; (3) a code that computes flow velocities at arrays of points in space; (4) a code that computes water drop trajectories from an array of points in space; (5) a code that computes water drop trajectories and fluxes to arbitrary target points; (6) a code that computes water drop trajectories tangent to the body; and (7) a code that produces stereo pair plots which include both the body and trajectories. Code descriptions include operating instructions, card inputs and printouts for example problems, and listing of the FORTRAN codes. Accuracy of the calculations is discussed, and trajectory calculation results are compared with prior calculations and with experimental data.

Norment, H. G.↗

Modelling Bambara Groundnut Yield in Southern Africa: Towards a Climate-Resilient Future

Current agriculture depends on a few major species grown as monocultures that are supported by global research underpinning current productivity. However, many hundreds of alternative crops have the potential to meet real world challenges by sustaining humanity, diversifying agricultural systems for food and nutritional security, and especially responding to climate change through their resilience to certain climate conditions. Bambara groundnut (Vigna subterranea (L.) Verdc.), an underutilised African legume, is an exemplar crop for climate resilience. Predicted yield performances of Bambara groundnut by AquaCrop (a crop−water productivity model) were evaluated for baseline (1980−2009) and mid-century climates (2040−2069) under 20 downscaled Global Climate Models (CMIP5-RCP8.5), as well as for climate sensitivities (AgMIPC3MP) across 3 locations in Southern Africa (Botswana, South Africa, Namibia). Different land - races of Bambara groundnut originating from various semi-arid African locations showed diverse yield performances with diverse sensitivities to climate. S19 originating from hot-dry conditions in Namibia has greater future yield potential compared to the Swaziland landrace Uniswa Red-UN across study sites. South Africa has the lowest yield under the current climate, indicating positive future yield trends. Namibia reported the highest baseline yield at optimum current temperatures, indicating less yield potential in future climates. Bambara groundnut shows positive yield potential at temperatures of up to ~31degC, with further warming pushing yields down. Thus, many regions in Southern Africa can utilize Bambara groundnut successfully in the coming decades. This modelling exercise supports decisions on genotypic suitability for present and future climates at specific locations.

farm crops↗

Neutral-current neutrino scattering from the deuteron

Neutral-current neutrino scattering from the deuteron leading to proton-neutron final states is considered using an approach that incorporates relativistic dynamics and consequently provides robust modeling at relatively high energies and momenta. In this work the focus is placed on the fully exclusive reaction where both the proton and neutron in the final state are assumed to be detected. Accordingly, the incident neutrino energy, the neutrino scattering angle and the scattered neutrino's energy can all be reconstructed. It is shown that for specific choices of kinematics the reaction proceeds mainly via scattering from the proton, while for other choices of kinematics it proceeds mainly from the neutron. Specific asymmetries are introduced to focus on these attributes. Measurements in both regions have the potential to yield valuable information on the nucleon's electroweak form factors at momentum transfers up to a (GeV/c)$^2$. In particular, the cross sections are shown to be very sensitive to the isoscalar axial-vector form factor, and sensitive but less so to the magnetic strangeness form factor. Comparisons with other reactions, specifically charge-changing neutrino reactions and both parity-conserving and -violating electron scattering, have the potential to provide new ways to test the Standard Model.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Calculation of water drop trajectories to and about arbitrary three-dimensional lifting and nonlifting bodies in potential airflow

Subsonic, external flow about nonlifting bodies, lifting bodies or combinations of lifting and nonlifting bodies is calculated by a modified version of the Hess lifting code. Trajectory calculations can be performed for any atmospheric conditions and for all water drop sizes, from the smallest cloud droplet to large raindrops. Experimental water drop drag relations are used in the water drop equations of motion and effects of gravity settling are included. Inlet flow can be accommodated, and high Mach number compressibility effects are corrected for approximately. Seven codes are described: (1) a code used to debug and plot body surface description data; (2) a code that processes the body surface data to yield the potential flow field; (3) a code that computes flow velocities at arrays of points in space; (4) a code that computes water drop trajectories from an array of points in space; (5) a code that computes water drop trajectories and fluxes to arbitrary target points; (6) a code that computes water drop trajectories tangent to the body; and (7) a code that produces stereo pair plots which include both the body and trajectories. Accuracy of the calculations is discussed, and trajectory calculation results are compared with prior calculations and with experimental data.

Norment, H. G.↗

Producing cultivated meat cuts that match traditional meat in quality and affordability (CRADA Final Report)

Novel Farms, Inc., as a participant of the Cyclotron Road Lab-Embedded Entrepreneurship Program, investigated the performance of various animal cell lines and animal cell media formulations using its proprietary scaffolds as a growth substratum towards the development of economically-feasible cultivated meat production. As an alternative to conventionally farmed animal meat, cultivated meat production has the potential to yield a marginal carbon footprint while providing sustainable and cruelty-free animal protein. The prohibitively high cost of the growth factors necessary in animal cell culture media constitutes the primary barrier that hinders the economically viable production of cultivated meat products. Furthermore, scaffolding is required to create structured meat products, but current options are unsuitable for cost-effective large-scale production of cultivated meat. Novel Farms has developed a proprietary technology to produce scaffolding that has the potential to reduce production costs while providing an ideal 3D surface for cell growth. Developing cost-efficient methods for cultivated meat production will be vital in satisfying the growing demand for animal protein while avoiding the deforestation, carbon emissions, biodiversity loss and other negative outcomes of industrial animal farming.

59 BASIC BIOLOGICAL SCIENCES↗

The Low-Yield Nuclear Monitoring (LYNM) Experimental Science Plan

The Low-Yield Nuclear Monitoring (LYNM) Program is a long-term NNSA research and development effort designed to improve the United States’ explosion monitoring capabilities, particularly with respect to low-yield and potentially evasive underground nuclear testing. The LYNM Program focuses on researching, discovering, and exploiting unique and useful signatures, from all available technologies and sensors (e.g., seismic, acoustic, electromagnetic, gases, and particulates (both stable and radioactive)). Four Department of Energy laboratories participate in LYNM and together are referred to as the ‘quad-lab’. The R&D program execution is performed under NNSA defined structures known as “ventures”. Four science ventures were established: 1) Explosion Source Functions; 2) Containment of Low-Yield Underground Tests; 3) Local Signatures; 4) Dynamic Monitoring Networks. To organize and execute the large field scale experiment a fifth venture was established: 5) Physics Experiment One (PE-1). As part of the LYNM Program, a series of experiments are planned at various scales and levels of venture involvement. These vary from those that involve a subset of labs and/or LYNM ventures (e.g., small experiments), to full quad-lab LYNM Program field-scale integrated experiments. Such experiments may involve chemical explosions with tracer materials or other means of simulating the expected signals from a nuclear explosion. The LYNM Program does not conduct actual nuclear explosions. Since 1992, the U.S. has observed a moratorium on underground nuclear explosions. This document is intended to provide the underlying scientific basis for the LYNM planned experimental work. Each specific LYNM experiment will develop a goals, objectives, and requirements (GOR) plan following the guidance in this document. The LYNM technical staff will define the numbers and types of experiments required over the course of the Program based on technical needs and within funding constraints. As with any scientific experiment series, the number and types of experiments may change based upon the experimental results obtained. An experiment that agrees with models/codes/software signature predictions may need fewer repetitions/variations, depending upon the level of statistical rigor desired, as compared to one in which the predictions and experimental data do not match. The large LYNM field-scale integrated experiments require the longest lead-time for planning, and these are discussed in more detail near the end of this document.

58 GEOSCIENCES↗

Assessing feasible H2–CO2 sources in the US as Feedstocks for Sustainable Aviation Fuel Precursors: Acetic Acid and Ethanol Production via Hydrogenotrophic Pathways

The environmental impact of carbon dioxide emissions is significant, and research is focused on mitigating these emissions and developing eco-friendly technologies in line with green chemistry principles. Waste-to-energy technologies play a crucial role in converting waste into renewable energy and valuable biofuels and bioproducts. This study specifically explores the utilization of waste gas emissions, particularly carbon dioxide, from various sources in the United States for the production of sustainable aviation fuel (SAF) precursors, such as ethanol and acetic acid. The study categorizes and quantifies the volumes of carbon dioxide emissions into three types: non-biogenic, biogenic, and biogenic emissions from ethanol production facilities. Stoichiometric calculations are applied to compare the amounts of carbon dioxide from each category with the available hydrogen production capacity, determining if sufficient hydrogen is present for converting carbon dioxide into SAF precursors. The study reveals two key findings. Firstly, there is a significant reserve of carbon dioxide, approximately 1648 million metric tons per year (MMTy), combining all three categories, which would require a substantial increase of approximately 35–40 times in the existing hydrogen production capacity of 4.988 MMTy. This increased hydrogen production has the potential to yield approximately 1067.82 MMTy of acetic acid and 189.19 MMTy of ethanol annually. Secondly, upon analyzing the quality and application of the three sources of carbon dioxide with the currently available hydrogen production capacity, it is found that biogenic carbon dioxide from ethanol plants is the most suitable choice for immediate production of SAF precursors. This would theoretically result in an annual production of 1.36 MMTy of ethanol and 1.772 MMTy of acetic acid. The other two sources of carbon dioxide can be considered potential reserves for future utilization when additional hydrogen production facilities are established. The study provides a foundation for assessing the aggregation potential required for acetic acid and ethanol production. By optimizing the use of waste gases as raw materials, the study not only enables the production of SAF precursors but also contributes to the passive reduction of greenhouse gas emissions.

Carbon Dioxide↗

Optimizing energy yield of monolithic perovskite/silicon tandem solar cells in real-world Conditions: The impact of luminescent coupling

Efficient light management is key to maximizing power conversion efficiency (PCE) in monolithic perovskite/silicon tandem solar cells. Achieving peak efficiency requires closely matched current generation in all junctions, especially in integrated configurations. However, real-world conditions vary significantly due to factors such as sunlight spectrum, diffuse-to-direct sunlight ratio, angular distribution of light, subcell temperature coefficients, and ground reflection. This study introduces a comprehensive optical and device simulation to optimize perovskite/silicon tandem cells, considering experimental luminescent coupling (LC) efficiency and its dependence on working conditions, alongside variations in radiative recombination, effect of temperature on absorptivity spectra, and cloud cover. Our results show potential energy yield improvements of up to 1.4 % with LC, based on current perovskite radiative recombination records, and up to 4 % with direct bandgap materials. Although radiative recombination's dependence on excitation intensity reduces output power and requires thicker absorbers, LC compensates for these losses. LC also lowers the optimized bandgap for the perovskite top cell from 1.72 eV to 1.64–1.68 eV, or even lower in regions with redshifted irradiance. Additionally, optimization revealed that thinner silicon bottom cells require a higher perovskite top cell bandgap, impacting the balance between fabrication cost and cell stability.

14 SOLAR ENERGY↗

Exploiting a derivative discontinuity estimate for accurate G0W0 ionization potentials and electron affinities

Abstract The GW approximation has become an important tool for predicting charged excitations of isolated molecules and condensed systems. Its popularity can be attributed to many factors, including a favorable scaling and relatively good accuracy. In practical applications, the GW is often performed as a one-shot perturbation known as G 0 W 0 . Unfortunately, G 0 W 0 suffers from a strong starting point dependence and is often not as accurate as one would need. Self-consistent GW methodologies alleviate these problems but come with a marked increase in computational cost. In this manuscript, we propose the use of an estimate of the exchange-correlation derivative discontinuity to provide a remarkably good starting point for G 0 W 0 calculations, yielding ionization potentials and electron affinities with eigenvalue self-consistent GW quality at no additional cost. We assess the quality of the resulting methodology with the GW 100 benchmark set and compare its advantages over other similar methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A high-dimensional neural network potential for molecular dynamics simulations of condensed phase nickel and phase transitions

A high-dimensional neural network interatomic potential was developed and used in molecular dynamics simulations of condensed phase Ni and Ni systems with liquid–solid phase coexistence. The reference data set was generated by sampling the potential energy surface over a broad temperature-pressure domain using ab initio MD simulations to train a unified potential. Excellent agreement was achieved between bulk face-centered cubic nickel thermal expansion simulations and relevant experimental data. The same potential also yields accurate structures and diffusivities in the liquid state. The phase transition between liquid and solid phases was simulated using the two-phase interface method. The predicted melting point temperature is within a few kelvins of the literature value. Here, the general methodology could be applied to describe crystals with much more complex phase behaviors.

74 ATOMIC AND MOLECULAR PHYSICS↗

Overcoming Dynamic Disturbances in Imaging Systems

We develop and discuss a methodology with the potential to yield a significant reduction in complexity, cost, and risk of space-borne optical systems in the presence of dynamic disturbances. More robust systems almost certainly will be a result as well. Many future space-based and ground-based optical systems will employ optical control systems to enhance imaging performance. The goal of the optical control subsystem is to determine the wavefront aberrations and remove them. Ideally reducing an aberrated image of the object under investigation to a sufficiently clear (usually diffraction-limited) image. Control will likely be distributed over several elements. These elements may include telescope primary segments, telescope secondary, telescope tertiary, deformable mirror(s), fine steering mirror(s), etc. The last two elements, in particular, may have to provide dynamic control. These control subsystems may become elaborate indeed. But robust system performance will require evaluation of the image quality over a substantial range and in a dynamic environment. Candidate systems for improvement in the Earth Sciences Enterprise could include next generation Landsat systems or atmospheric sensors for dynamic imaging of individual, severe storms. The technology developed here could have a substantial impact on the development of new systems in the Space Science Enterprise; such as the Next Generation Space Telescope(NGST) and its follow-on the Next NGST. Large Interferometric Systems of non-zero field, such as Planet Finder and Submillimeter Probe of the Evolution of Cosmic Structure, could benefit. These systems most likely will contain large, flexible optomechanical structures subject to dynamic disturbance. Furthermore, large systems for high resolution imaging of planets or the sun from space may also benefit. Tactical and Strategic Defense systems will need to image very small targets as well and could benefit from the technology developed here. We discuss a novel speckle imaging technique with the potential to separate dynamic aberrations from static aberrations. Post-processing of a set of image data, using an algorithm based on this technique, should work for all but the lowest light levels and highest frequency dynamic environments. This technique may serve to reduce the complexity of the control system and provide for robust, fault-tolerant, reduced risk operation. For a given object, a short exposure image is "frozen" on the focal plane in the presence of the environmental disturbance (turbulence, jitter, etc.). A key factor is that this imaging data exhibits frame-to-frame linear shift invariance. Therefore, although the Point Spread Function is varying from frame to frame, the source is fixed; and each short exposure contains object spectrum data out to the diffraction limit of the imaging system. This novel speckle imaging technique uses the Knox-Thompson method. The magnitude of the complex object spectrum is straightforward to determine by well-established approaches. The phase of the complex object spectrum is decomposed into two parts. One is a single-valued function determined by the divergence of the optical phase gradient. The other is a multi-valued function determined by the circulation of the optical phase gradient-"hidden phase." Finite difference equations are developed for the phase. The novelty of this approach is captured in the inclusion of this "hidden phase." This technique allows the diffraction-limited reconstruction of the object from the ensemble of short exposure frames while simultaneously estimating the phase as a function of time from a set of exposures.

Young, Eric W.↗