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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 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The Significance of Environmental Attributes as Indicators of the Life Cycle Environmental Impacts of Packaging and Food Service Ware

The environmental impacts of packaging and food service ware (FSW) are increasingly the subject of government policy, public discourse, and industry commitments. While some consideration is given to reducing the impacts of packaging across its entire life cycle, most of the focus is on packaging waste or feedstock substitution. Efforts typically focus on specific packaging characteristics, or material attributes, commonly perceived to be environmentally preferable. This article summarizes an extensive meta-review of existing published literature that was performed to determine whether the material attributes recyclability, recycled content, compostability, and biobased, commonly considered to be environmentally beneficial, correlate with lower net environmental impacts across the full life cycle of the packaging and FSW. Seventy-one unique life cycle assessment (LCA) studies that quantify the environmental impacts throughout the entire life cycle of packaging and FSW were analyzed. These studies included over 5000 comparisons for 13 impact categories commonly analyzed in LCA studies. The results from the meta-review identified a number of instances where material attributes do not correlate with environmental benefits for packaging and FSW. Rather, other characteristics such as material choice or mass of the packaging/FSW products can have higher influence in determining life cycle impacts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

110th Anniversary : Properties of Imidazolium-Based Ionic Liquids Bearing Both Benzylic and n -Alkyl Substituents

Reports of imidazoliumionic liquids (ILs) with at least one benzylic substituent bound to the imidazolium cation are far less common than the ubiquitous 1-alkyl-3-methylimidazolium ILs ([C n mim][X]). Furthermore, there is significant motivation to determine structure–property relationships for imidazolium-based ILs with at least one benzylic substituent. Not only are these ILs just as straightforward to synthesize as [C n mim][X] ILs, but ILs with benzylic substituents are also representative segments of poly(ILs) and ionenes where imidazolium cations with benzylic groups are commonly found. This report focuses on the effects of benzyl and methylbenzyl substituents on the density and viscosity of a series of imidazolium cations paired with bis[(trifluoromethyl)sulfonyl]imide (more commonly known as bistriflimide) ([Tf 2 N] – ) anions. Furthermore, the solubility of CO 2 in 1-benzyl-3-methylimidazolium bistriflimide [Bnmim][Tf 2 N] (CAS: 433337-24-7) was measured at 303.15, 318.15, 333.15, and 348.15 K at pressures in the range of 1–9 bar.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Aqueous Photochemistry of Secondary Organic Aerosol of α-Pinene and α-Humulene Oxidized with Ozone, Hydroxyl Radical, and Nitrate Radical

Formation of secondary organic aerosols (SOA) from biogenic volatile organic compounds 13 (BVOC) occurs via O 3 - and OH-initiated reactions during the day and reactions with NO 3 during the 14 night. We explored the effect of these three oxidation conditions on the molecular composition and 15 aqueous photochemistry of model SOA prepared from two common BVOC. A common monoterpene, α- 16 pinene, and sesquiterpene, α-humulene, were used to form SOA in a smog chamber via BVOC + O 3 , 17 BVOC + NO 3 , and BVOC + OH + NOx oxidation. Samples of SOA were collected, extracted in water, 18 and photolyzed in an aqueous solution in order to simulate the photochemical cloud processing of SOA. 19 The extent of change in the molecular level composition of SOA over 4 hours of photolysis (roughly 20 equivalent to 64 hours of photolysis under ambient conditions) was assessed with high-resolution 21 electrospray ionization mass spectrometry. The analysis revealed significant differences in the molecular 22 composition between monoterpene and sesquiterpene SOA formed by the different oxidation pathways. 23 The composition further evolved during photolysis with the most notable change corresponding to the 24 nearly-complete removal of nitrogen-containing organic compounds. Hydrolysis of SOA compounds also 25 occurred in parallel with photolysis. The preferential loss of larger SOA compounds during photolysis 26 and hydrolysis made the SOA compounds more volatile on average. This study suggests that cloud- and 27 fog-processing may under certain conditions lead to a reduction in the SOA loading as opposed to an 28 increase in SOA loading commonly assumed in the literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Ion Solvation-Driven Liquid–Liquid Phase Separation in Divalent Electrolytes with Miscible Organic Solvents

Liquid–liquid phase separation (LLPS) is a common phenomenon, but LLPS of electrolytes prepared in miscible organic solvents is rarely documented. Here we report four cases of LLPS that occur in MgTFSI 2 or ZnTFSI 2 electrolytes in mixed organic solvents. The conditions for the formation of this LLPS share four common features: cations with high charge density; bulky anions with low charge density; a strongly coordinating solvent with high compressibility; and a relatively weak coordinating solvent with low relative permittivity and high mobility. With these conditions, the cations tend to draw the strongly coordinating solvents together to form a densely-packed, energetically-favorable ion solvation region, while the cosolvents with low relative permittivity tend to repel ions to form an ion-depleted dilute phase. Furthermore, in the dilute upper layer with more than 300 solvent molecules per cation, ion pairs and large ion aggregates are clearly evidenced, due to the incomplete screening of electrostatic interactions by the weaker cosolvent. This LLPS driven by ion solvation may be more common in multivalent electrolytes and is a design consideration with mixed solvents that should not be overlooked.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Virtual Special Issue on Catalysis at the U.S. Department of Energy’s National Laboratories

Catalysis research at the U.S. Department of Energy's (DOE's) National Laboratories covers a wide range of research topics in heterogeneous catalysis, homogeneous/molecular catalysis, biocatalysis, electrocatalysis, and surface science. Since much of the work at National Laboratories is funded by DOE, the research is largely focused on addressing DOE's mission to ensure America's security and prosperity by addressing its energy, environmental, and nuclear challenges through transformative science and technology solutions. The catalysis research carried out at the DOE National Laboratories ranges from very fundamental catalysis science, funded by DOE's Office of Basic Energy Sciences (BES), to applied research and development (R&D) in areas such as biomass conversion to fuels and chemicals, fuel cells, and vehicle emission control with primary funding from DOE's Office of Energy Efficiency and Renewable Energy.

09 BIOMASS FUELS↗
DOE OSTI2019

A Closer Look at Fe(II) Passivation of Goethite

Our understanding of how Fe(II) reacts with Fe(III) oxides has evolved significantly based on evidence for electron transfer at the oxide-water interface and Fe(II)-catalyzed recrystallization. Recent experiments, as well as computational calculations, further suggest that defects at oxide surfaces can facilitate electron transfer. There is, however, some evidence that these processes cease after continued contact with Fe(II). Here, we explore the sustainability of these processes over longer time frames by measuring whether exposure to Fe(II) inhibits Fe(II)-goethite electron transfer, and whether this inhibition is reversible. To quantify the extent of electron transfer, we used selective isotope labeling with 57Fe Mössbauer spectroscopy. The results revealed that pre-reacting goethite with Fe(II) decreases the extent of electron transfer during subsequent exposures, and that less electron transfer occurs with increasing reaction time. Similarly, X-ray absorption spectroscopy and magnetic circular dichroism suggest that reaction with Fe(II) consumes surface defects and forms a passivation layer, making goethite less susceptible to electron transfer. When Fe(II) is removed by either wet chemical extraction or oxidation, electron transfer is mostly restored, suggesting that inhibition of electron transfer is reversible. Our results show that in environmental systems, which are commonly subjected to transient geochemical fluctuations, electron transfer between Fe(II) and Fe oxides, and processes linked to it, are likely to be relevant beyond just short time scales.

Andrade de Notini, Luiza↗
DOE OSTI2018

Plazomicin Retains Antibiotic Activity against Most Aminoglycoside Modifying Enzymes

Plazomicin is a next-generation, semisynthetic aminoglycoside antibiotic currently under development for the treatment of infections due to multidrug-resistant Enterobacteriaceae. The compound was designed by chemical modification of the natural product sisomicin to provide protection from common aminoglycoside modifying enzymes that chemically alter these drugs via N-acetylation, O-adenylylation, or O-phosphorylation. In this study, plazomicin was profiled against a panel of isogenic strains of Escherichia coli individually expressing twenty-one aminoglycoside resistance enzymes. Plazomicin retained antibacterial activity against 15 of the 17 modifying enzyme-expressing strains tested. Expression of only two of the modifying enzymes, aac(2')-Ia and aph(2'')-IVa, decreased plazomicin potency. On the other hand, expression of 16S rRNA ribosomal methyltransferases results in a complete lack of plazomicin potency. In vitro enzymatic assessment confirmed that AAC(2')-Ia and APH(2'')-IVa (aminoglycoside acetyltransferase, AAC; aminoglycoside phosphotransferase, APH) were able to utilize plazomicin as a substrate. AAC(2')-Ia and APH(2'')-IVa are limited in their distribution to Providencia stuartii and Enterococci, respectively. These data demonstrate that plazomicin is not modified by a broad spectrum of common aminoglycoside modifying enzymes including those commonly found in Enterobacteriaceae. However, plazomicin is inactive in the presence of 16S rRNA ribosomal methyltransferases, which should be monitored in future surveillance programs.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Different Spatiotemporal Patterns in Global Human Population and Built‐Up Land

Abstract Population concentration and built‐up land expansion are two prominent features of contemporary urbanization. Existing literature on the population aspect of urbanization has mostly focused on national and regional aggregates, and literature on the land development aspect has often relied on spatial case studies of individual cities or their meta‐analyses. Using newly‐available data, here we conduct the first global‐coverage, spatial analysis of the relationship between (changes in) population and built‐up land at multiple spatial scales, and compare to existing common beliefs about urbanization based on individual city studies. We find that population and built‐up land show distinctly different spatial and temporal patterns (with a global correlation coefficient around 0.6). Contrary to common impressions, our results show that during recent decades, developed and developing regions across the world experienced comparable amounts of built‐up land expansion. While meta‐analyses have reported that built‐up land in urban areas expands globally on average twice as fast as population grows, our results show the global change rates of built‐up land and population are similar. Also, most global population, including what national statistics agencies call urban population, reside in areas with low land development levels (which are frequently less than 5% built up). These changes in perspective suggest that urbanization's potential large‐scale impacts may need to be re‐evaluated, and lead to best‐practice recommendations for urbanization modeling and analysis. Especially, the common practice in large‐scale earth system modeling of assuming demographically‐defined urban population resides in areas with medium to high built‐up land development levels should change.

Gao, Jing↗
DOE OSTI2022

The Atlantic Jet Response to Stratospheric Events: A Regime Perspective

The tropospheric response to Sudden Stratospheric Warmings (SSWs) is associated with an equatorward shift in the midlatitude jet and associated storm tracks, while Strong Polar Vortex (SPV) events elicit a contrasting response. Recent analyses of the North Atlantic jet using probability density functions of a jet latitude index have identified three preferred jet latitudes, raising the question of whether the tropospheric response to SSWs and SPVs results from a change in relative frequencies of these preferred jet regimes rather than a systematic jet shift. We explore this question using atmospheric reanalysis data from 1979 to 2018 (26 SSWs and 33 SPVs), and a 202-years integration of the Whole Atmosphere Community Climate Model (92 SSWs and 68 SPVs). Following SSWs, the northern jet regime becomes less common and the central and southern regimes become more common. These changes occur almost immediately following “split” vortex events, but are more delayed following “displacement” events. In contrast, the northern regime becomes more frequent and the southern regime less frequent following SPV events. Following SSWs, composites of 500-hPa geopotential heights, surface air temperatures, and precipitation most closely resemble composites of the southern jet regime, and are generally opposite in sign to the composites of the northern jet regime. These comparisons are reversed following SPVs. Thus, one possible interpretation is that the two southernmost regimes appear to be favored following SSWs, while the southernmost regime becomes less common following SPVs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Correcting glucose-6-phosphate dehydrogenase deficiency with a small-molecule activator

Here, glucose-6-phosphate dehydrogenase (G6PD) deficiency, one of the most common human genetic enzymopathies, is caused by over 160 different point mutations and contributes to the severity of many acute and chronic diseases associated with oxidative stress, including hemolytic anemia and bilirubin-induced neurological damage particularly in newborns. As no medications are available to treat G6PD deficiency, here we seek to identify a small molecule that corrects it. Crystallographic study and mutagenesis analysis identify the structural and functional defect of one common mutant (Canton, R459L). Using high-throughput screening, we subsequently identify AG1, a small molecule that increases the activity of the wild-type, the Canton mutant and several other common G6PD mutants. AG1 reduces oxidative stress in cells and zebrafish. Furthermore, AG1 decreases chloroquine- or diamide-induced oxidative stress in human erythrocytes. Our study suggests that a pharmacological agent, of which AG1 may be a lead, will likely alleviate the challenges associated with G6PD deficiency.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides

Chalcogen vacancies are generally considered to be the most common point defects in transition metal dichalcogenide (TMD) semiconductors because of their low formation energy in vacuum and their frequent observation in transmission electron microscopy studies. Consequently, unexpected optical, transport, and catalytic properties in 2D-TMDs have been attributed to in-gap states associated with chalcogen vacancies, even in the absence of direct experimental evidence. Here, we combine low-temperature non-contact atomic force microscopy, scanning tunneling microscopy and spectroscopy, and state-of-the-art ab initio density functional theory and GW calculations to determine both the atomic structure and electronic properties of an abundant chalcogen-site point defect common to MoSe 2 and WS 2 monolayers grown by molecular beam epitaxy and chemical vapor deposition, respectively. Surprisingly, we observe no in-gap states. Our results strongly suggest that the common chalcogen defects in the described 2D-TMD semiconductors, measured in vacuum environment after gentle annealing, are oxygen substitutional defects, rather than vacancies.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Inappropriate antibiotic access practices at the community level in Eastern Ethiopia

Access to antibiotic medications is critical to achieving the Sustainable Development Goal for good health and well-being. However, non-prescribed and informal sources are implicated as the most common causes of inappropriate antibiotic access practices, resulting in untargeted therapy, which leads to antibiotic resistance. Hence, knowing antibiotic access practices at the community level is essential to target misuse sources. In this study, 2256 household representatives were surveyed between July and September 2023 to examine their antibiotic access practices. Of 1245 household members who received antibiotics, 45.6% did so inappropriately. Non-prescribed antibiotic access was more common among urban residents and individuals not enrolled in health insurance schemes. This means of antibiotic access was also more common among individuals concerned about distance, drug availability, and healthcare convenience at public facilities. In addition, women and rural individuals were more likely to get antibiotics from unauthorized sources. Unrestricted antibiotic dispensing practices in urban areas enabled their non-prescribed access, while unlicensed providers prevailed with this access practice in rural areas. In this regard, personal behaviors and healthcare-related gaps such as the lack of health insurance, inconvenience, and drug unavailability have led community members to seek antibiotics from unofficial and non-prescribed sources. Targeting the identified behavioral and institutional factors can enhance antibiotic access through prescriptions, hence reducing antibiotic resistance.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Novel ZnO:Al contacts to CdZnTe for X- and gamma-ray detectors

CdZnTe (CZT) has made a significant impact as a material for room-temperature nuclear-radiation detectors due to its potential impact in applications related to nonproliferation, homeland security, medical imaging and gamma-ray telescopes. In all such applications, common metals, such as gold, platinum and indium, have been used as electrodes for fabricating the detectors. Because of the large mismatch in the thermal-expansion coefficient between the metal contacts and CZT, the contacts can undergo stress and mechanical degradation, which is the main cause for device instability over the long term. Here, we report for the first time on our use of Al-doped ZnO as the preferred electrode for such detectors. The material was selected because of its better contact properties compared to those of the metals commonly used today. Comparisons were conducted for the detector properties using different contacts and improvements in the performances of ZnO:Al-coated detectors are described in this paper. These studies show that Al:ZnO contacts to CZT radiation detectors offer the potential of becoming a transformative replacement for the common metallic contacts due to the dramatic improvements in the performance of detectors and improved long-term stability.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

Asymmetric charge separation and recombination in symmetrically functionalized σ–π hybrid oligosilanes

The flexibility of σ-conjugated silanes presents new opportunities for manipulating charge generation, transport, and non-linear optical properties of materials. Recently we synthesized a series of acceptor–donor–acceptor (ADA) compounds in which a methylated oligosilane core (D) is flanked by electron-deficient cyanovinyl-substituted arenes (A). Based on a detailed characterization of the photophysics of ADA and donor–acceptor (DA) architectures using both steady state and ultrafast spectroscopic measurements we illustrate that asymmetric charge separation occurs directly following light absorption. Lippert analysis of solvatochromic emission indicates large changes in dipole moments on excitation consistent with the formation of dipolar emissive states. Time resolved absorption measurements reveal common excited-state relaxation behavior across molecular structures: spectral dynamics associated with the relaxation of nascent excited states occur on a common timescale for all structures within the same solvent environment, whereas charge recombination via excited-state decay consistently follows a common energy gap law. Ultrafast time-resolved Raman measurements reveal that reduction of the cyanovinyl moieties is instantaneous with excitation, with only minor shifts in vibrational features over the course of excited-state relaxation. We conclude that excited-state symmetry breaking that gives rise to asymmetric intramolecular charge transfer (ICT) is associated with the conformation of the central Si chain. In contrast, ultrafast solvent reorganization or solvent-controlled intramolecular dynamics only serve to stabilize nascent dipolar excited states, rather than induce charge separation from an initial quadrupolar state.

Zhou, Jiawang↗
DOE OSTI2014

Raytheon's next generation compact inline cryocooler architecture

Since the 1970s, Raytheon has developed, built, tested and integrated high performance cryocoolers. Our versatile designs for single and multi-stage cryocoolers provide reliable operation for temperatures from 10 to 200 Kelvin with power levels ranging from 50 W to nearly 600 W. These advanced cryocoolers incorporate clearance seals, flexure suspensions, hermetic housings and dynamic balancing to provide long service life and reliable operation in all relevant environments. Today, sensors face a multitude of cryocooler integration challenges such as exported disturbance, efficiency, scalability, maturity, and cost. As a result, cryocooler selection is application dependent, oftentimes requiring extensive trade studies to determine the most suitable architecture. To optimally meet the needs of next generation passive IR sensors, the Compact Inline Raytheon Stirling 1-Stage (CI-RS1), Compact Inline Raytheon Single Stage Pulse Tube (CI-RP1) and Compact Inline Raytheon Hybrid Stirling/Pulse Tube 2-Stage (CI-RSP2) cryocoolers are being developed to satisfy this suite of requirements. This lightweight, compact, efficient, low vibration cryocooler combines proven 1-stage (RS1 or RP1) and 2-stage (RSP2) cold-head architectures with an inventive set of warm-end mechanisms into a single cooler module, allowing the moving mechanisms for the compressor and the Stirling displacer to be consolidated onto a common axis and in a common working volume. The CI cryocooler is a significant departure from the current Stirling cryocoolers in which the compressor mechanisms are remote from the Stirling displacer mechanism. Placing all of the mechanisms in a single volume and on a single axis provides benefits in terms of package size (30% reduction), mass (30% reduction), thermodynamic efficiency (>20% improvement) and exported vibration performance (≤25 mN peak in all three orthogonal axes at frequencies from 1 to 500 Hz). The main benefit of axial symmetry is that proven balancing techniques and hardware can be utilized to null all motion along the common axis. Low vibration translates to better sensor performance resulting in simpler, more direct mechanical mounting configurations, eliminating the need for convoluted, expensive, massive, long lead damping hardware.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Improving the hot-spot pressure and demonstrating ignition hydrodynamic equivalence in cryogenic deuterium–tritium implosions on OMEGA

Reaching ignition in direct-drive (DD) inertial confinement fusion implosions requires achieving central pressures in excess of 100 Gbar. The OMEGA laser system [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)] is used to study the physics of implosions that are hydrodynamically equivalent to the ignition designs on the National Ignition Facility (NIF) [J. A. Paisner et al., Laser Focus World 30, 75 (1994)]. It is shown that the highest hot-spot pressures (up to 40 Gbar) are achieved in target designs with a fuel adiabat of α ≃ 4, an implosion velocity of 3.8 × 107 cm/s, and a laser intensity of ∼1015 W/cm2. These moderate-adiabat implosions are well understood using two-dimensional hydrocode simulations. The performance of lower-adiabat implosions is significantly degraded relative to code predictions, a common feature between DD implosions on OMEGA and indirect-drive cryogenic implosions on the NIF. Simplified theoretical models are developed to gain physical understanding of the implosion dynamics that dictate the target performance. These models indicate that degradations in the shell density and integrity (caused by hydrodynamic instabilities during the target acceleration) coupled with hydrodynamics at stagnation are the main failure mechanisms in low-adiabat designs. To demonstrate ignition hydrodynamic equivalence in cryogenic implosions on OMEGA, the target-design robustness to hydrodynamic instability growth must be improved by reducing laser-coupling losses caused by cross beam energy transfer.

Goncharov, V. N.↗
DOE OSTI2014

Determining the refractive index of shocked [100] lithium fluoride to the limit of transmissibility

Lithium fluoride (LiF) is a common window material used in shock- and ramp-compression experiments because it displays a host of positive attributes in these applications. Most commonly, it is used to maintain stress at an interface and velocimetry techniques are used to record the particle velocity at that interface. In this application, LiF remains transparent to stresses up to 200 GPa. In this stress range, LiF has an elastic-plastic response with a very low (<0.5 GPa) elastic precursor and exhibits no known solid-solid phase transformations. However, because the density dependence of the refractive index of LiF does not follow the Gladstone-Dale relation, the measured particle velocity at this interface is not the true particle velocity and must be corrected. For that reason, the measured velocity is often referred to as the apparent velocity in these types of experiments. In this article, we describe a series of shock-compression experiments that have been performed to determine the refractive index of LiF at the two most commonly used wavelengths (532 nm and 1550 nm) between 35 and 200 GPa to high precision. A modified form of the Gladstone-Dale relation was found to work best to fit the determined values of refractive index. In addition, we provide a direct relationship between the apparent and true particle velocity to correct experimentally obtained wave profiles by others using these velocimetry techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗