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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

The transport of photochemical pollutants to the background troposphere

The considered investigation is concerned with the phenomena occurring as a chemically reacting plume, with specific initial concentrations of NO, NO2, O3, and hydrocarbons, emerges from an urban area and is advected to the background troposphere. A better understanding of the global NOx and hydrocarbon budgets can be realized by determining the fractions of NOx and hydrocarbons that are transported to distances far enough to be considered background. The investigation makes use of a 56-step, lumped kinetic mechanism for photochemical smog, which includes current information on pertinent chemical reactions and rate constants for the reactions.

Bazzell, C. C.↗
DOE OSTI2022

Understanding Biomass and Polymer Feedstock Variability Through Analytical Pyrolysis and Two Dimensional Gas Chromatography and Mass Spectrometry

Moving toward a circular carbon economy requires enabling reuse of carbon-based macromolecules like those in biomass and polymers. Meeting this goal requires increased upcycling of waste products into higher value products. For biomass waste such as corn stover, pine needles, or bark, one approach is using pyrolysis to convert these feedstocks into bio-oil that can be used for liquid fuel or transformed into other hydrocarbon based products, like bio-polymers. Waste plastics can be upcycled or recycled into new products, or alternatively converted into bio-oil by pyrolysis. Macromolecules from biomass and polymers are challenging to convert into liquid fuel or chemical feedstocks, due to large and sometimes heterogeneous networks of polymeric bonds. We work with the Idaho National Laboratory’s Biomass Feedstock National User Facility and Department of Energy’s Feedstock Conversion Interface Consortium to develop a molecular understanding of biomass variability that occurs naturally and as a result of storage or preprocessing techniques applied to feedstocks, to understand chemical reactions occurring during pyrolysis and other biomass or polymer conversion techniques. Using two dimensional gas chromatography mass spectrometry coupled to analytical pyrolysis provides insight into the molecular changes that occur during the pyrolysis event, and these insights can extend to bench or pilot scale pyrolysis conversions. Understanding pyrolysis of biomass and polymers at a molecular level contributes to development of new tools to predict and manipulate the optimum conditions and identify the best storage, preprocessing, and conversion techniques to maximize output of specific high-value chemical species in the conversion to fuels, or to characterize feedstocks for blending before pyrolysis. Identification and understanding of the molecular level changes resulting from novel preprocessing techniques that can be used to control and manipulate the chemical output of bench or pilot scale pyrolysis is another focus of investigation, including the use of gamma irradiation, acid, or enzyme pre-treatments. We also focus on the impacts of storage conditions and techniques, which can affect moisture levels, degradation, and impacts from naturally occurring microbes in the environment.

09 BIOMASS FUELS↗
DOE OSTI2021

Seasonal changes in the drivers of water physico-chemistry variability of a small freshwater tidal river

Where rivers meet the sea, tides can exert a physical and chemical influence on the lower reaches of a river. How tidal dynamics in these tidal river reaches interact with upstream hydrological drivers such as storm rainfall, which ultimately determines the quantity and composition of material transferred from watersheds to estuaries, is currently unknown. We monitored a small freshwater tidal river in the Pacific Northwest, USA in high resolution over one year to evaluate the relative importance of tides versus upstream hydrological flows (i.e., base flow and precipitation events) on basic physico-chemical parameters (pH, dissolved oxygen, turbidity, specific conductivity, and temperature), and how these interactions relate to the downstream estuary. Tidal variability and diurnal cycles (i.e. solar radiation) dominated water physico-chemical variability in the summer, but the influence of these drivers was overshadowed by storm-driven sharp pulses in river physico-chemistry during the remainder of the year. Within such events, we found incidences of counterclockwise hysteresis of pH, counterclockwise hysteresis of dissolved oxygen, and clockwise hysteresis of turbidity, although systematic trends were not observed across events. The dominance of storm rainfall in the river’s physico-chemistry dynamics, and similar pulses of decreased pH observed in adjacent estuarine waters, suggest that the linkage between tidal streams and the broader system is variable throughout the year. High-frequency monitoring of tidal river biogeochemistry is therefore crucial to enable the assessment of how the relative strength of these drivers may change with future sea level rise and altered precipitation patterns to modulate biogeochemical dynamics across the land-ocean-atmosphere continuum.

aquatic↗
NASA NTRS2003

High-Power Hall Thruster Technology Evaluated for Primary Propulsion Applications

High-power electric propulsion systems have been shown to be enabling for a number of NASA concepts, including piloted missions to Mars and Earth-orbiting solar electric power generation for terrestrial use (refs. 1 and 2). These types of missions require moderate transfer times and sizable thrust levels, resulting in an optimized propulsion system with greater specific impulse than conventional chemical systems and greater thrust than ion thruster systems. Hall thruster technology will offer a favorable combination of performance, reliability, and lifetime for such applications if input power can be scaled by more than an order of magnitude from the kilowatt level of the current state-of-the-art systems. As a result, the NASA Glenn Research Center conducted strategic technology research and development into high-power Hall thruster technology. During program year 2002, an in-house fabricated thruster, designated the NASA-457M, was experimentally evaluated at input powers up to 72 kW. These tests demonstrated the efficacy of scaling Hall thrusters to high power suitable for a range of future missions. Thrust up to nearly 3 N was measured. Discharge specific impulses ranged from 1750 to 3250 sec, with discharge efficiencies between 46 and 65 percent. This thruster is the highest power, highest thrust Hall thruster ever tested.

Manzella, David H.↗
NASA NTRS1991

Structure and functions of water-membrane interfaces and their role in proto-biological evolution

Among the most important developments in proto-biological evolution was the emergence of membrane-like structures. These are formed by spontaneous association of relatively simple amphiphilic molecules that would have been readily available in the primordial environment. The resulting interfacial regions between water and nonpolar interior of the membrane have several properties which made them uniquely suitable for promoting subsequent evolution. They can (1) selectively attract organic material and mediate its transport, (2) serve as simple catalysts for chemical reactions, and (3) promote the formation of trans-membrane electrical and chemical gradients which could provide energy sources for proto-cells. Understanding the structure of interfaces, their interactions with organic molecules and molecular mechanisms of their functions is an essential step to understanding proto-biological evolution. In our computer simulation studies, we showed that the structure of water at interfaces with nonpolar media is significantly different from that in the bulk. In particular, the average surface dipole density points from the vapor to the liquid. As a result, negative ions can approach the interface more easily than positive ions. Amphiphilic molecules composed of hydrocarbon conjugated rings and polar substituents (e.g., phenol) assume at the interface rigid orientations in which polar groups are buried in water while hydrocarbon parts are located in the nonpolar environment. These orientational differences are of special interest in connection with the ability of some of these molecules to efficiently absorb photons. Flexible molecules with polar substituents often adopt at interfaces conformations different from those in the bulk aquaeous solution and in the gas phase. As a result, in many instances both specificity and kinetics of chemical reactions in which these molecules can participate is modified by the presence of surfaces. Of special interest is the mechanism by which polar molecules are transferred across interface between water and a nonpolar medium. Our recent study showed that simple ionophores bind ions by the same mechanisms as ion channels and carriers from modern cells.

Pohorille, A.↗
DOE OSTI2021

Analysis of Organophosphorus-Based Nerve Agent Degradation Products by Gas Chromatography-Mass Spectrometry (GC-MS): Current Derivatization Reactions in the Analytical Chemist’s Toolbox

The field of gas chromatography-mass spectrometry (GC-MS) in the analysis of chemical warfare agents (CWAs), specifically those involving the organophosphorus-based nerve agents (OPNAs), is a continually evolving and dynamic area of research. The ever-present interest in this field within analytical chemistry is driven by the constant threat posed by these lethal CWAs, highlighted by their use during the Tokyo subway attack in 1995, their deliberate use on civilians in Syria in 2013, and their use in the poisoning of Sergei and Yulia Skripal in Great Britain in 2018 and Alexei Navalny in 2020. These events coupled with their potential for mass destruction only serve to stress the importance of developing methods for their rapid and unambiguous detection. Although the direct detection of OPNAs is possible by GC-MS, in most instances, the analytical chemist must rely on the detection of the products arising from their degradation. To this end, derivatization reactions mainly in the form of silylations and alkylations employing a vast array of reagents have played a pivotal role in the efficient detection of these products that can be used retrospectively to identify the original OPNA.

sarin↗
NASA NTRS2022

Deciphering the Birth Region, Formation, and Evolution of Ambient and Transient Solar Wind Using Heavy Ion Observations

This paper outlines key scientific topics that are important for the development of solar system physics and how observations of heavy ion composition can address them. The key objectives include, 1) understanding the Sun’s chemical composition by identifying specific mechanisms driving elemental variation in the corona. 2) Disentangling the solar wind birthplace and drivers of release by determining the relative contributions of active regions (ARs), quiet Sun, and coronal hole plasma to the solar wind. 3) Determining the principal mechanisms driving solar wind evolution from the Sun by identifying the importance and interplay of reconnection, waves, and/or turbulence in driving the extended acceleration and heating of solar wind and transient plasma. The paper recommends complementary heavy ion measurements that can be traced from the Sun to the heliosphere to properly connect and study these regions to address these topics. The careful determination of heavy ion and elemental composition of several particle populations, matched at the Sun and in the heliosphere, will permit for a comprehensive examination of fractionation processes, wave-particle interactions, coronal heating, and solar wind release and energization that are key to understanding how the Sun forms and influences the heliosphere.

chemical composition↗
DOE OSTI2021

An integrated host-microbiome response to atrazine exposure mediates toxicity in Drosophila

Abstract The gut microbiome produces vitamins, nutrients, and neurotransmitters, and helps to modulate the host immune system—and also plays a major role in the metabolism of many exogenous compounds, including drugs and chemical toxicants. However, the extent to which specific microbial species or communities modulate hazard upon exposure to chemicals remains largely opaque. Focusing on the effects of collateral dietary exposure to the widely used herbicide atrazine, we applied integrated omics and phenotypic screening to assess the role of the gut microbiome in modulating host resilience in Drosophila melanogaster . Transcriptional and metabolic responses to these compounds are sex-specific and depend strongly on the presence of the commensal microbiome. Sequencing the genomes of all abundant microbes in the fly gut revealed an enzymatic pathway responsible for atrazine detoxification unique to Acetobacter tropicalis . We find that Acetobacter tropicalis alone, in gnotobiotic animals, is sufficient to rescue increased atrazine toxicity to wild-type, conventionally reared levels. This work points toward the derivation of biotic strategies to improve host resilience to environmental chemical exposures, and illustrates the power of integrative omics to identify pathways responsible for adverse health outcomes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Design and out-of-pile testing of a novel irradiation experiment vehicle to support qualification of nuclear thermal propulsion components

Fission power systems have demonstrated higher thermal energy density per unit mass than chemical systems. High mass specific energy density offers advantages in space thermal propulsion applications. In the 1960s, nuclear thermal propulsion (NTP) development included the ROVER/NERVA program, in which full-scale prototype reactors were tested on the ground using hydrogen as the reactor coolant and propellant. NTP systems are being revisited, with expectations of improved performance resulting from improved fuel materials, allowing propellant temperatures near 2,800 K and over 20 thermal propulsion cycles. An apparatus has been developed to test NTP fuel materials in a research reactor at temperature and in a radiation environment typical of the NTP application. Here, this paper presents the design constraints, preliminary scoping thermal analysis, and basic thermal qualification testing for the out-of-pile experiment set apparatus, or OUTSET.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Intervening Oxygen Enabled Magnetic Moment Modulation in Spinel Nanostructures

Oxygen vacancies and lattice oxygen on the surface of nanoparticles play crucial roles in the magnetism of transition metal oxides. A fundamental understanding of the interactions between the 2p orbitals of oxygen anions and the 3d orbitals of metal cations is of immense interest for applications due to specific electronic, magnetic, and chemical properties. The spinel nanostructures Co 3 O 4 ,Fe 3 O 4 , and CoFe 2 O 4 present a unique model to alter coordination and bonding due to d electrons and oxygen 2p states. We performed complementary experimental techniques and corresponding model calculations to show that the overall net magnetism differs significantly between the O 2 -rich and -deficient environments. It was found that in monometallic spinel oxides (e.g., Co 3 O 4 and Fe 3 O 4 ), the changes in the spin moment are relatively small (~0.08μ B per formula unit) compared to those in the bimetallic spinel oxide CoFe 2 O 4 (~0.40 μ B per formula unit). Finally, our study illustrates that the O 2 -rich/deficient conditions alter the exchange of O h sites and adjust the metal ion moments so as to impact the overall magnetism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Polyhydroxyalkanoates in emerging recycling technologies for a circular materials economy

Circular polymer systems, specifically polyesters operating through chemical and biological technologies, are approaching a critical moment of industrial adoption and scale-up feasibility. At the same time, polyhydroxyalkanoate (PHA) production, scale-up, and resulting material development is converging toward commodity applications. The current PHA end-of-life philosophy, however, focalizes leveraging inherent biodegradability to circumvent plastic waste accumulation. If indeed a substantial replacement of incumbent single-use plastics with PHA alternatives is to be met in commercial manufacture, we emphasize the importance of linking PHA development with feasible polymer recycling technologies. In other words, a PHA materials economy is significantly more carbon- and cost-favorable when efficient mechanical (reprocessing), chemical (deconstruction, depolymerization), or biological (enzymatic) recycling is prioritized over biodegradation or composting. In this perspective, we discuss strategies for PHA recyclable-by-design principles, guidable by developing machine learning tools, as well as material compatibility with closed-loop recycling technologies. Additionally, we posit compelling life-cycle assessment incentives for adopting polymer reclamation over competing pathways. Ultimately, we hope this narrative further inspires the alignment between PHA design with growing calls for a circular material economy.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Active causal learning for decoding chemical complexities with targeted interventions

Abstract Predicting and enhancing inherent properties based on molecular structures is paramount to design tasks in medicine, materials science, and environmental management. Most of the current machine learning and deep learning approaches have become standard for predictions, but they face challenges when applied across different datasets due to reliance on correlations between molecular representation and target properties. These approaches typically depend on large datasets to capture the diversity within the chemical space, facilitating a more accurate approximation, interpolation, or extrapolation of the chemical behavior of molecules. In our research, we introduce an active learning approach that discerns underlying cause-effect relationships through strategic sampling with the use of a graph loss function. This method identifies the smallest subset of the dataset capable of encoding the most information representative of a much larger chemical space. The identified causal relations are then leveraged to conduct systematic interventions, optimizing the design task within a chemical space that the models have not encountered previously. While our implementation focused on the QM9 quantum-chemical dataset for a specific design task—finding molecules with a large dipole moment—our active causal learning approach, driven by intelligent sampling and interventions, holds potential for broader applications in molecular, materials design and discovery.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Structural magnetic glassiness in the spin ice Dy 2 Ti 2 O 7

The origin and nature of glassy dynamics presents one of the central enigmas of condensed-matter physics across a broad range of systems ranging from window glass to spin glasses. The spin-ice compound Dy 2 Ti 2 O 7 , which is perhaps best known as hosting a three-dimensional Coulomb spin liquid with magnetically charged monopole excitations, also falls out of equilibrium at low temperature. How and why it does so remains an open question. Based on an analysis of low-temperature diffuse neutron-scattering experiments employing different cooling protocols alongside recent magnetic noise studies, combined with extensive numerical modeling, we argue that upon cooling, the spins freeze into what may be termed a “structural magnetic glass,” without an a priori need for chemical or structural disorder. Specifically, our model indicates the presence of frustration on two levels, first producing a near-degenerate constrained manifold inside which phase ordering kinetics is in turn frustrated. A remarkable feature is that monopoles act as sole annealers of the spin network and their pathways and history encode the development of glass dynamics, allowing the glass formation to be visualized. Our results suggest that spin ice Dy 2 Ti 2 O 7 provides one prototype of magnetic glass formation specifically and a setting for the study of kinetically constrained systems more generally.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Effects of Irradiation on Thermal Properties of Polyurethane Foam

Polyurethane foam is used as a thermal insulator, fire protective material, and impact absorber in the 9977 shipping package. The 9977 shipping package is used to transport special nuclear materials (SNM), and store SNM in the K-area complex at the Savannah River Site. The primary fire-retardant mechanism in the foam is that it produces intumescent char when exposed to high temperatures. Intumescence occurs in the direction of heat application and can allow the foam to “repair” cracks in the event of a mechanical impact, in addition to serving as a secondary thermal barrier with decreased heat conductivity. Because the foam is being used for long-term storage applications, it is vital that it retain its physical, thermal, and mechanical properties over the course of time and with the events of exposure of heat and irradiation. The goal of this project was to determine the effects of gamma irradiation on the thermal properties of polyurethane foam, both in terms of cumulative irradiation and rate of irradiation. At the dose rates and cumulative doses of irradiation measured, there was no correlation between higher cumulative irradiation and thermal stability, specific heat capacity, or chemical structure. Based on the results of the experiments, the fire protective properties in the 9977 shipping containers should be retained with the expected amount of radiation exposure.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Combined Heat Shield and Solar Thermal Propulsion System for an Oberth Maneuver

As humanity continues its exploration of space, many space missions are enabled by increases in speed. Examples include outer planet and dwarf planet exploration missions and missions that travel through our solar system into interstellar space. For many of these applications speeds of >10 astronomical units per year (AU/yr) are desired. A powered gravity assist around the Sun may offer the best option for reaching this goal; however, current heat shields and kick stages are too heavy or generate too little thrust. Solar thermal propulsion overcomes this tradeoff by converting the heat of the Sun into thrust. By tripling the specific impulse relative to chemical propulsion and by enabling a smaller perihelion through active cooling, this approach nearly doubles the escape velocity. Our team has designed and built working solar thermal propulsion prototypes out of materials that can survive 2700 K at a 30 x 30 cm scale. These benchtop-scale demonstrations have thus far validated the simplifying assumptions that underlie our thermal and propulsion models. Despite growing confidence that a full-scale heat shield/heat exchanger can survive an Oberth maneuver, many questions remain regarding the feasibility of long-term cryogenic storage of hydrogen propellant.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Compositional Variation Tests on DuraMelter 100 with LAW Sub-Envelope A1 Feed (LAWA44 Glass) in Support of the LAW Pilot Melter, VSL-02R62N0-4, Rev. 0 (Nov 2002)

The two tests described in this report utilized blended feed (glass formers plus waste simulant) prepared by Optima Chemicals according to VSL specifications generating about 1. 7 metric tons of glass. Sugar was added (at VSL) to the nominal feed at a "sugar ratio" of 0.5 for each of the two variation tests1; however, since the sugar addition is assumed to be "blind" to the variations, the actual sugar ratios were 0.57 and 0.44. The DMl00-WV melter was used in order to provide a direct comparison with the LAW tests previously conducted on the same melter. Two 100-hour melter tests were conducted: one with a 15% deficiency in simulant and one with 15% excess in simulant. Key operating parameters including cold cap coverage, feed rate, and glass pool temperature were held constant to investigate the effects of the glass compositional changes on processing characteristics (including salt formation) and the product glass. The bubbling rate was adjusted to provide the desired glass production rate with a near complete cold cap (90-100% of melt surface covered with feed). Quantitative measurements of glass production rates, melter operating conditions (temperatures, pressures, power, flows, etc.), and off-gas characteristics (NOx, SO 2, CO, particulate load and composition, and acid gases) were made for each test.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1976

Permanent holographic storage medium

Storage unit is electrostatically-charged multilayered laminate. Ability of system to store information in holographic forms is due to specific electrical, optical, and chemical characteristics of its materials.

Gange, R. A.↗
NASA NTRS1978

Carbon vaporization into a nonequilibrium, stagnation-point boundary layer

The heat transfer to the stagnation point of an ablating carbonaceous heat shield, where both the gas-phase boundary layer and the heterogeneous surface reactions are not in chemical equilibrium, is examined. Specifically, the nonequilibrium changes in the mass fraction profiles of carbon species calculated for frozen flow are studied. A set of equations describing the steady-state, nonequilibrium laminar boundary layer in the axisymmetric stagnation region, over an ablating graphite surface, is solved, with allowance for the effects of finite rate of carbon vaporization.

Suzuki, T.↗