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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3

Fast Primary Frequency Response Using Coordinated DER and Flexible Loads: Framework and Residential-Scale Demonstration: Preprint

Methods for supporting grid frequency stabilization using widespread flexible load and DER are becoming essential as the portion of synchronous generation decreases. This article develops a framework for providing fast primary frequency response that leverages deferrable loads and DER coordinated using high-speed measurements in real time to ensure that local objectives are met. The framework is demonstrated in a residential-scale experiment with four household appliances and an inverter. The effectiveness of an example load management algorithm is demonstrated using three underfrequency anomaly test cases. The experimental data corroborates that in all cases, the entire coordinated response, from detection and measurement of a frequency anomaly to completed coordinated net-load response, is completed within 143 ms (about 8.5 cycles).

24 POWER TRANSMISSION AND DISTRIBUTION↗

Regional and Localized Deposits on the Moon

Earth-based telescopic remote sensing studies have provided important information concerning lunar pyroclastic deposits. Combined with the returned lunar sample studies and analyses of lunar photography, we have learned a great deal about the nature and origin of these explosive volcanic materials. Lunar pyroclastic deposits are more numerous, extensive, and widely distributed than previously thought. Two generic classes of lunar pyroclastics have been identified, regional and localized. From the former, two separate spectral compositional groups have been identified; one is dominated by Fe(2+)-bearing glasses, the other is composed of ilmenite-rich black spheres. Comparatively, three separate spectral groups have been identified among the localized deposits: highlands-rich, olivine-rich, and mare-rich. Returned sample studies and the recently collected Galileo and Clementine data also corroborate these findings. Albedo data and multispectral imagery suggest that the thicker core deposits of the regional dark mantle deposits (RDMD) are surrounded by pyroclastic debris and subjacent highlands material. The presence of a major component of pyroclastic debris in the regolith surrounding the core regional deposits has important implications for the resource potential of these materials. Both telescopic and orbital spectra indicate that the regional pyroclastic deposits are rich in iron, titanium and oxygen-bearing minerals. Particle shapes vary from simple glass spheres to compound droplets with quench crystallized textures. Their small grain size and friability make them ideal indigenous feedstock. Compared to other resource feedstock sources on the Moon, these pyroclastic materials may be the best oxygen resource on the Moon.

Coombs, Cassandra R.↗

Probing the in situ volumes of Arabidopsis leaf plastids using three‐dimensional confocal and scanning electron microscopy

SUMMARY Leaf plastids harbor a plethora of biochemical reactions including photosynthesis, one of the most important metabolic pathways on Earth. Scientists are eager to unveil the physiological processes within the organelle but also their interconnection with the rest of the plant cell. An increasingly important feature of this venture is to use experimental data in the design of metabolic models. A remaining obstacle has been the limited in situ volume information of plastids and other cell organelles. To fill this gap for chloroplasts, we established three microscopy protocols delivering in situ volumes based on: (i) chlorophyll fluorescence emerging from the thylakoid membrane, (ii) a CFP marker embedded in the envelope, and (iii) calculations from serial block‐face scanning electron microscopy (SBFSEM). The obtained data were corroborated by comparing wild‐type data with two mutant lines affected in the plastid division machinery known to produce small and large mesophyll chloroplasts, respectively. Furthermore, we also determined the volume of the much smaller guard cell plastids. Interestingly, their volume is not governed by the same components of the division machinery which defines mesophyll plastid size. Based on our three approaches, the average volume of a mature Col‐0 wild‐type mesophyll chloroplasts is 93 μm 3 . Wild‐type guard cell plastids are approximately 18 μm 3 . Lastly, our comparative analysis shows that the chlorophyll fluorescence analysis can accurately determine chloroplast volumes, providing an important tool to research groups without access to transgenic marker lines expressing genetically encoded fluorescence proteins or costly SBFSEM equipment.

Knoblauch, Jan↗

Testing Cosmic Microwave Background Anomalies in E-mode Polarization with Current and Future Data

In this paper, we explore the power of the cosmic microwave background (CMB) polarization (E-mode) data to corroborate four potential anomalies in CMB temperature data: the lack of large angular-scale correlations, the alignment of the quadrupole and octupole (Q–O), the point-parity asymmetry, and the hemispherical power asymmetry. We use CMB simulations with noise representative of three experiments—the Planck satellite, the Cosmology Large Angular Scale Surveyor (CLASS), and the LiteBIRD satellite—to test how current and future data constrain the anomalies. We find the correlation coefficients ρ between temperature and E-mode estimators to be less than 0.1, except for the point-parity asymmetry (ρ = 0.17 for cosmic-variance-limited simulations), confirming that E-modes provide a check on the anomalies that is largely independent of temperature data. Compared to Planck component-separated CMB data (smica), the putative LiteBIRD survey would reduce errors on E-mode anomaly estimators by factors of ∼3 for hemispherical power asymmetry and point-parity asymmetry, and by ∼26 for lack of large-scale correlation. The improvement in Q–O alignment is not obvious due to large cosmic variance, but we found the ability to pin down the estimator value will be improved by a factor ≳100. Improvements with CLASS are intermediate to these.

Cosmic microwave background radiation↗

Influence of Surface Oxidation on Ion Dynamics and Capacitance in Porous and Nonporous Carbon Electrodes

We investigate the influence of surface chemistry and ion confinement on capacitance and electrosorption dynamics of room-temperature ionic liquids (RTILs) in supercapacitors. Using air oxidation and vacuum annealing, we produced defunctionalized and oxygen-rich surfaces of carbide-derived carbons (CDCs) and graphene nanoplatelets (GNPs). While oxidized surfaces of porous CDCs improve capacitance and rate handling abilities of ions, defunctionalized nonporous GNPs improve charge storage densities on planar electrodes. Quasi-elastic neutron scattering (QENS) and inelastic neutron scattering (INS) probed the structure, dynamics, and orientation of RTIL ions confined in divergently functionalized pores. Oxidized, ionophilic surfaces draw ions closer to pore surfaces and enhance potential-driven ion transport during electrosorption. Molecular dynamics (MD) simulations corroborated experimental data and demonstrated the significance of surface functional groups on ion orientations, accumulation densities, and capacitance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

We present a generalized framework for multi-component liquid injections to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically-consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear Gradient Theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized which determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data is presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense- fluid mixing generally occurs before the liquid length is reached. The significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely-applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.

42 ENGINEERING↗

Quantifying the Effects of Idle-Stop Systems on Fuel Economy in Light-Duty Passenger Vehicles

Vehicles equipped with idle-stop (IS) systems are capable of engine shut down when the vehicle is stopped and rapid engine re-start for the vehicle launch. This capability reduces fuel consumption and emissions during periods when the engine is not being utilized to provide propulsion or to power accessories. IS systems are a low-cost and fast-growing technology in the industry-wide pursuit of increased vehicle efficiency, possibly becoming standard features in European vehicles in the near future. In contrast, currently there are only three non-hybrid vehicle models for sale in North America with IS systems and these models are distinctly low-volume models. As part of the United States Department of Energy’s Advanced Vehicle Testing Activity, ECOtality North America has tested the real-world effect of IS systems on fuel consumption in three vehicle models imported from Europe. These vehicles were chosen to represent three types of systems: (1) spark ignition with 12-V belt alternator starter; (2) compression ignition with 12-V belt alternator starter; and (3) direct-injection spark ignition, with 12-V belt alternator starter/combustion restart. The vehicles have undergone both dynamometer and on-road testing; the test results show somewhat conflicting data. The laboratory data and the portion of the on-road data in which driving is conducted on a prescribed route with trained drivers produced significant fuel economy improvement. However, the fleet data do not corroborate improvement, even though the data show significant engine-off time. It is possible that the effects of the varying driving styles and routes in the fleet testing overshadowed the fuel economy improvements. More testing with the same driver over routes that are similar with the IS system-enabled and disabled is recommended. There is anecdotal evidence that current Environmental Protection Agency fuel economy test procedures do not capture the fuel economy gains that IS systems produce in real-world driving. The program test results provide information on the veracity of these claims.

25 ENERGY STORAGE↗

Aquaporin 0 plays a pivotal role in refractive index gradient development in mammalian eye lens to prevent spherical aberration

Highlights: • Intact AQP0 functions as fiber cell-to-fiber cell adhesion protein. • AQP0 facilitates reduction in extracellular space and lens water content. • AQP0 adhesion function aids in lens refractive index gradient (RING) formation. • AQP0 prevents lens spherical aberration by establishing RING. • AQP0 is critical for lens transparency and homeostasis. - Abstract: Aquaporin 0 (AQP0) is a transmembrane channel that constitutes ∼45% of the total membrane protein of the fiber cells in mammalian lens. It is critical for lens transparency and homeostasis as mutations and knockout cause autosomal dominant lens cataract. AQP0 functions as a water channel and as a cell-to-cell adhesion (CTCA) molecule in the lens. Our recent in vitro studies showed that the CTCA function of AQP0 could be crucial to establish lens refractive index gradient (RING). However, there is a lack of in vivo data to corroborate the role of AQP0 as a fiber CTCA molecule which is critical for creating lens RING. The present investigation is undertaken to gather in vivo evidence for the involvement of AQP0 in developing lens RING. Lenses of wild type (WT) mouse, AQP0 knockout (heterozygous, AQP0{sup +/−}) and AQP0 knockout lens transgenically expressing AQP1 (heterozygous AQP0{sup +/−}/AQP1{sup +/−}) mouse models were used for the study. Data on AQP0 protein profile of intact and N- and/or C-terminal cleaved AQP0 in the lens by MALDI-TOF mass spectrometry and SDS–PAGE revealed that outer cortex fiber cells have only intact AQP0 of ∼28 kDa, inner cortical and outer nuclear fiber cells have both intact and cleaved forms, and inner nuclear fiber cells have only cleaved forms (∼26–24 kDa). Knocking out of 50% of AQP0 protein caused light scattering, spherical aberration (SA) and cataract. Restoring the lost fiber cell membrane water permeability (P{sub f}) by transgene AQP1 did not reinstate complete lens transparency and the mouse lenses showed light scattering and SA. Transmission and scanning electron micrographs of lenses of both mouse models showed increased extracellular space between fiber cells. Water content determination study showed increase in water in the lenses of these mouse models. In summary, lens transparency, CTCA and compact packing of fiber cells were affected due to the loss of 50% AQP0 leading to larger extracellular space, more water content and SA, possibly due to alteration in RING. To our knowledge, this is the first report identifying the role of AQP0 in RING development to ward off lens SA during focusing.

60 APPLIED LIFE SCIENCES↗

Patterns in Crew-Initiated Photography of Earth from ISS - Is Earth Observation a Salutogenic Experience?

To provide for the well-being of crewmembers on future exploration missions, understanding how space station crewmembers handle the inherently stressful isolation and confinement during long-duration missions is important. A recent retrospective survey of previously flown astronauts found that the most commonly reported psychologically enriching aspects of spaceflight had to do with their Perceptions of Earth. Crewmembers onboard the International Space Station (ISS) photograph Earth through the station windows. Some of these photographs are in response to requests from scientists on the ground through the Crew Earth Observations (CEO) payload. Other photographs taken by crewmembers have not been in response to these formal requests. The automatically recorded data from the camera provides a dataset that can be used to test hypotheses about factors correlated with self-initiated crewmember photography. The present study used objective in-flight data to corroborate the previous questionnaire finding and to further investigate the nature of voluntary Earth-Observation activity. We examined the distribution of photographs with respect to time, crew, and subject matter. We also determined whether the frequency fluctuated in conjunction with major mission events such as vehicle dockings, and extra-vehicular activities (EVAs, or spacewalks), relative to the norm for the relevant crew. We also examined the influence of geographic and temporal patterns on frequency of Earth photography activities. We tested the hypotheses that there would be peak photography intensity over locations of personal interest, and on weekends. From December 2001 through October 2005 (Expeditions 4-11) crewmembers took 144,180 photographs of Earth with time and date automatically recorded by the camera. Of the time-stamped photographs, 84.5% were crew-initiated, and not in response to CEO requests. Preliminary analysis indicated some phasing in patterns of photography during the course of a mission (significant quadratic and trimodal models). There was also a small but significant increase in photo activity on the weekends. In contrast, fewer photos were taken during major station events and for a period of time immediately preceding those events. Data on photography patterns presented here represent a relatively objective group-level measure of Earth observing activities on ISS. Crew Earth Observations offers a self-initiated positive activity that may be important in salutogenesis (maintenance of well-being) of astronauts on long-duration missions. Consideration should be given to developing substitute activities for crewmembers in future exploration missions where there will not be the opportunity to look at Earth, such as on long-duration transits to Mars.

Robinson, Julie A.↗

Generalized Modeling of Enrichment Cascades That Include Minor Isotopes

The monitoring of enrichment operations may require innovative analysis to allow for imperfect or missing data. The presence of minor isotopes may help or hurt - they can complicate a calculation or provide additional data to corroborate a calculation. However, they must be considered in a rigorous analysis, especially in cases involving reuse. This study considers matched-abundanceratio cascades that involve at least three isotopes and allows generalized input that does not require all feed assays or the enrichment factor to be specified. Calculations are based on the equations developed for the MSTAR code but are generalized to allow input of various combinations of assays, flows, and other cascade properties. Traditional cascade models have required specification of the enrichment factor, all feed assays, and the product and waste assays of the primary enriched component. The calculation would then produce the numbers of stages in the enriching and stripping sections and the remaining assays in waste and product streams. In cases where the enrichment factor or feed assays were not known, analysis was difficult or impossible. However, if other quantities are known (e.g., additional assays in waste or product streams), a reliable calculation is still possible with the new code, but such nonstandard input may introduce additional numerical difficulties into the calculation. Thus, the minimum input requirements for a stable solution are discussed, and a sample problem with a non-unique solution is described. Both heuristic and mathematically required guidelines are given to assist the application of cascade modeling to situations involving such non-standard input. As a result, this work provides both a calculational tool and specific guidance for evaluation of enrichment cascades in which traditional input data are either flawed or unknown. It is useful for cases involving minor isotopes, especially if the minor isotope assays are desired (or required) to be important contributors to the overall analysis.

99 GENERAL AND MISCELLANEOUS↗

3D Electron Diffraction Structure Determination of Terrylene, a Promising Candidate for Intermolecular Singlet Fission

Herein we demonstrate the prowess of the 3D electron diffraction approach by unveiling the structure of terrylene, the third member in the series of peri-condensed naphthalene analogues, which has eluded structure determination for 65 years. The structure was determined by direct methods using electron diffraction data and corroborated by dispersion-inclusive density functional theory optimizations. Terrylene crystalizes in the monoclinic space group P2 1 /a, arranging in a sandwich-herringbone packing motif, similar to analogous compounds. Having solved the crystal structure, we use many-body perturbation theory to evaluate the excited-state properties of terrylene in the solid-state. We find that terrylene is a promising candidate for intermolecular singlet fission, comparable to tetracene and rubrene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Predicting thermophysical properties of molten salts in the MgCl 2 -NaCl-KCl-LiCl system with a shell-model potential

Ternary eutectic salts composed of MgCl 2 , NaCl, and KCl, referred to as MNK salts, have recently emerged as promising candidates as high-temperature heat transfer fluids and thermal energy storage media. Here we performed classical molecular dynamics (MD) simulations to predict the densities, specific heat capacities, viscosities, and ionic self-diffusivities for MNK salts over a wide temperature range. The impact of LiCl additive on their thermophysical properties was also investigated. To capture the electronic polarization of Cl anions by neighboring cations, we developed a novel shell-model potential using the force-matching method and a dataset of ab initio calculated interatomic forces. Our extensive MD simulations predict structure and properties for pure salts and binary/ternary salt mixtures in the MgCl 2 -NaCl-KCl-LiCl system in overall good agreement with available experimental and theoretical data, which corroborates the accuracy and reliability of our developed potential.

36 MATERIALS SCIENCE↗

Resveratrol upregulates Egr-1 expression and activity involving extracellular signal-regulated protein kinase and ternary complex factors

Many intracellular functions have been attributed to resveratrol, a polyphenolic phytoalexin found in grapes and in other plants. Here, we show that resveratrol induces the expression of the transcription factor Egr-1 in human embryonic kidney cells. Using a chromosomally embedded Egr-1-responsive reporter gene, we show that the Egr-1 activity was significantly elevated in resveratrol-treated cells, indicating that the newly synthesized Egr-1 protein was biologically active. Stimulus-transcription coupling leading to the resveratrol-induced upregulation of Egr-1 expression and activity requires the protein kinases Raf and extracellular signal-regulated protein kinase ERK, while MAP kinase phosphatase-1 functions as a nuclear shut-off device that interrupts the signaling cascade connecting resveratrol stimulation with enhanced Egr-1 expression. On the transcriptional level, Elk-1, a key transcriptional regulator of serum response element-driven gene transcription, connects the intracellular signaling cascade elicited by resveratrol with transcription of the Egr-1 gene. These data were corroborated by the observation that stimulation of the cells with resveratrol increased the transcriptional activation potential of Elk-1. The SRE as well as the GC-rich DNA binding site of Egr-1 function as resveratrol-responsive elements. Thus, resveratrol regulates gene transcription via activation of the stimulus-regulated protein kinases Raf and ERK and the stimulus-responsive transcription factors TCF and Egr-1. - Highlights: • The plant polyphenol resveratrol upregulates Egr-1 expression and activity. • The stimulation of Egr-1 requires the protein kinases ERK and Raf. • Resveratrol treatment upregulates the transcriptional activation potential of Elk-1. • Resveratrol-induced stimulation of Egr-1 requires ternary complex factors. • Two distinct resveratrol-responsive elements were identified.

60 APPLIED LIFE SCIENCES↗

Normalized Quantitative PCR Measurements as Predictors for Ethene Formation at Sites Impacted with Chlorinated Ethenes

Quantitative PCR (qPCR) targeting Dehalococcoides mccartyi (Dhc) biomarker genes supports effective management at sites impacted with chlorinated ethenes. To establish correlations between Dhc biomarker gene abundances and ethene formation (i.e., detoxification), 859 groundwater samples representing 62 sites undergoing monitored natural attenuation or enhanced remediation were analyzed. Dhc 16S rRNA genes and the vinyl chloride (VC) reductive dehalogenase genes bvcA and vcrA were detected in 88% and 61% of samples, respectively, from wells with ethene. Dhc 16S rRNA, bvcA , vcrA , and tceA (implicated in cometabolic reductive VC dechlorination) gene abundances all positively correlated with ethene formation. Significantly greater ethene concentrations were observed when Dhc 16S rRNA gene and VC RDase gene abundances exceeded 10 7 and 10 6 copies L –1 , respectively, and when Dhc 16S rRNA- and bvcA + vcrA -to-total bacterial 16S rRNA gene ratios exceeded 0.1%. Dhc 16S rRNA gene-to- vcrA/bvcA ratios near unity also indicated elevated ethene; yet, no increased ethene was observed in 19 wells where vcrA and/or bvcA gene copy numbers exceeded Dhc cell numbers 10- to 10 000-fold. Approximately one-third of samples with detectable ethene lacked bvcA , vcrA , and tceA , implying that comprehensive understanding of VC detoxification biomarkers has not been achieved. Although the current biomarker suite is incomplete, the data analysis corroborates the value of the available Dhc DNA biomarkers for prognostic and diagnostic groundwater monitoring at sites impacted with chlorinated ethenes.

59 BASIC BIOLOGICAL SCIENCES↗

Amine Dynamics in Diamine-Appended Mg 2 (dobpdc) Metal–Organic Frameworks

In this work, variable-temperature 15 N solid-state NMR spectroscopy is used to uncover the dynamics of three diamines appended to the metal–organic framework Mg 2 (dobpdc) (dobpdc 4– = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate), an important family of CO 2 capture materials. The results imply both bound and free amine nitrogen environments exist when diamines are coordinated to the framework open Mg 2+ sites. There are rapid exchanges between two nitrogen environments for all three diamines, the rates and energetics of which are quantified by 15 N solid-state NMR data and corroborated by density functional theory calculations and molecular dynamics simulations. The activation energy for the exchange provides a measure of the metal–amine bond strength. The unexpected negative correlation between the metal–amine bond strength and CO 2 adsorption step pressure reveals that metal–amine bond strength is not the only important factor in determining the CO 2 adsorption properties of diamine-appended Mg 2 (dobpdc) metal–organic frameworks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enhanced Electrocatalytic and Selective CO 2 -to-CO Reduction by a Rhenium(I) Complex Bearing 6,6′-Substituted 2,2′-Bipyridines

The electrochemical reduction of CO 2 (CO 2 RR) into value-added chemicals offers a promising route toward a circular carbon economy and reduced reliance on fossil fuels. A detailed understanding of the structural and electronic factors governing the performance of molecular CO 2 RR electrocatalysts is essential for the design of efficient, tunable systems. Here, in this study, we report a series of rhenium(I) complexes, fac-[Re I (6,6′-(R) 2 -bpy)(CO) 3 Cl] (bpy = 2,2′-bipyridine; R = mesityl (mes), 2,4,6-triisopropylphenyl (trip), or isophthalic acid (phth)) and evaluate their electrocatalytic activity. Among these, fac-[Re I (6,6′-(mes) 2 -bpy)(CO) 3 Cl] exhibited the highest performance, enabling selective CO 2 -to-CO conversion for 1 hour with Faradaic efficiency (FE) > 97%, representing an unprecedented activity level for a Re-bpy catalysts. Single-crystal X-ray diffraction and density functional theory (DFT) calculations indicated that favorable CO 2 binding could be promoted by the tilting of the 6,6′-(mes)2-bpy ligand (from the Re-CO coordination plane), providing mechanistic insight into the observed enhancement. The study consequently demonstrates a rational correlation between the CO 2 electrocatalytic performance of Re-bpy catalysts and their structural variations, as derived from X-ray data and corroborated by computational modeling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗