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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

Systematic effects of randomness in radiative transfer

In this paper, the authors show how the variability of the water content in individual clouds, the complexity of individual cloud structure, and the lateral and vertical heterogeneity of the distribution of individual clouds can produce systematic effects in the inversion of intensity distributions and the inference of source functions and the vertical temperature profile. This is possibly very significant, even in simple applications of radiative transfer theory where multiple scattering is not very important, in light of the randomness in the water vapor content and geometry associated with the microphysics of clouds. A practical procedure is provided to quantify this effect and to obtain, in certain circumstances, an improved estimate of the vertical temperature profile.

Newman, William I.↗
NASA NTRS2000

Polymer-Oxygen Compatibility Testing: Effect of Oxygen Aging on Ignition and Combustion Properties

The oxygen compatibility of six polymers used in oxygen service was evaluated after exposure for 48 hours to oxygen pressures ranging from 350 to 6200 kPa (50 to 900 psia), and temperatures ranging from 50 to 250 C (122 to 302 F). Three elastomers were tested: CR rubber (C873-70), FKM fluorocarbon rubber (Viton A), and MPQ silicone rubber (MIL-ZZ-765, Class 2); and three thermoplastics were tested: polyhexamethylene adipamide (Zytel 42), polytetrafluoroethylene (Teflon TFE), and polychlorotrifluoroethylene (Neoflon CTFE M400H). Post-aging changes in mass, dimensions, tensile strength, elongation at break, and durometer hardness were determined. Also, the compression set was determined for the three elastomers. Results show that the properties under investigation were more sensitive to oxygen pressure at low to moderate temperatures, and more sensitive to temperature at low to moderate oxygen pressures. Inspection of the results also suggested that both chain scissioning and cross-linking processes were operative, consistent with heterogeneous oxidation. Attempts are underway to verify conclusively the occurrence of heterogeneous oxidation using a simple modulus profiling technique. Finally, the effect of aging at 620 kpa (90 psia) and 121 C (250 F) on ignition and combustion resistance was determined. As expected, aged polymers were less ignitable and combustible (had higher AlTs and lower heats of combustion). Special attention was given to Neoflon CTFE. More specifically, the effect of process history (compression versus extrusion molding) and percent crystallinity (quick- versus slow-quenched) on the AIT, heat of combustion, and impact sensitivity of Neoflon CTFE was investigated. Results show the AIT, heat of combustion, and impact sensitivity to be essentially independent of Neoflon CTFE process history and structure.

Waller, Jess M.↗
DOE OSTI2020

Atomic Layer Deposition for Enhanced Reactivity and Stability of Biomass Conversion Catalysts

Heterogeneous catalysts are an essential tool in the transition towards a sustainable, bio-based economy for fuels and chemicals. However, the harsh conditions (e.g., high temperatures, acidity, oxidizing/reducing environments) of many key biomass conversion processes give rise to nanoparticle sintering, support collapse, and metal leaching in conventional PGM catalysts. Active site poisoning due to the relatively high sulfur content of most biomass feedstocks further compounds these durability problems. Next-generation catalysts must be developed to address these stability challenges. In this work, we used a scalable atomic layer deposition (ALD) process to modify conventional Pd-based hydrogenation catalysts to generate significant performance improvements. TiO2 ALD coatings were found to increase the activity of Pd/Al2O3 catalysts towards naphthalene hydrogenation; additionally, these coatings improved the catalyst's resistance to sulfur poisoning and thermal stability under oxidative calcination. Additional work in which Al2O3 ALD coatings were applied to Pd/TiO2 catalysts for muconic acid hydrogenation found similar stability benefits, including improved resistance to Pd leaching in the acidic environment. ALD technology holds great potential in the development of next-generation catalysts for biofuels and bioproducts and this work constitutes an important examination of applying ALD coatings to supported Pd hydrogenation catalysts.

ALD↗
DOE OSTI2026

Isolated and H 2 -reduced Anderson clusters catalyse low-temperature hydrogenation of CO 2 to methanol

CO 2 hydrogenation, especially to methanol, is crucial to establishing sustainable closed-loop systems for carbon utilization. However, the difficulties of CO 2 activation at low temperatures and the ambiguity of structure–activity correlations are obstacles to reducing the energy consumption of the hydrogenation process. Here we report that molecularly defined Anderson PtMo 6 O 24 clusters, sited within a robust metal–organic framework, are catalytic for low-temperature CO 2 hydrogenation. The performance of the cluster showed no signs of decay in either its activity or methanol selectivity over 3,600 h at 180 °C. It also achieves a per-pass yield exceeding that of state-of-the-art heterogeneous catalysts under similar conditions. Combined in situ spectroscopy and density functional theory calculations demonstrated that CH 3 OH formation is dominated by the reverse water–gas shift and subsequent CO* hydrogenation pathway, while the HCOO* pathway may serve as a supplementary route. The well-defined cluster structure offers an ideal model for elucidating structure–activity correlations and opens exciting avenues for the rational design of high-activity, low-temperature catalysts for CO 2 hydrogenation.

heterogeneous catalysis↗
DOE OSTI2025

Unraveling the depth-dependent causal dynamics of methanogenesis and methanotrophy in a high-latitude fen peatland

The dynamics of methane (CH 4 ) cycling in high-latitude peatlands through different pathways of methanogenesis and methanotrophy are still poorly understood due to the spatiotemporal complexity of microbial activities and biogeochemical processes. Additionally, long-term in situ measurements within soil columns are limited and associated with large uncertainties in microbial substrates (e.g. dissolved organic carbon, acetate, hydrogen). To better understand CH 4 cycling dynamics, we first applied an advanced biogeochemical model, ecosys , to explicitly simulate methanogenesis, methanotrophy, and CH 4 transport in a high-latitude fen (within the Stordalen Mire, northern Sweden). Next, to explore the vertical heterogeneity in CH 4 cycling, we applied the PCMCI/PCMCI+ causal detection framework with a bootstrap aggregation method to the modeling results, characterizing causal relationships among regulating factors (e.g. temperature, microbial biomass, soil substrate concentrations) through acetoclastic methanogenesis, hydrogenotrophic methanogenesis, and methanotrophy, across three depth intervals (0–10 cm, 10–20 cm, 20–30 cm). Our results indicate that temperature, microbial biomass, and methanogenesis and methanotrophy substrates exhibit significant vertical variations within the soil column. Soil temperature demonstrates strong causal relationships with both biomass and substrate concentrations at the shallower depth (0–10 cm), while these causal relationships decrease significantly at the deeper depth within the two methanogenesis pathways. In contrast, soil substrate concentrations show significantly greater causal relationships with depth, suggesting the substantial influence of substrates on CH 4 cycling. CH 4 production is found to peak in August, while CH 4 oxidation peaks predominantly in October, showing a lag response between production and oxidation. Overall, this research provides important insights into the causal mechanisms modulating CH 4 cycling across different depths, which will improve carbon cycling predictions, and guide the future field measurement strategies.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1994

Ozone loss in the lower stratosphere over the United States in 1992-1993: Evidence for heterogeneous chemistry on the Pinatubo aerosol

Ozone profiles obtained at Boulder, Colorado and Wallops Island, Virginia indicate that ozone was about 25% below normal during the winter and spring of 1992-93 in the 12-22 km region. This large ozone reduction in the lower stratosphere, though sometimes partially compensated by higher than normal ozone above 24 km, was responsible for the low total column ozone values observed across the United States during this period. Normal temperatures throughout the low ozone region suggest that transport-related effects are probably not the most important cause of the ozone deficits. This region of low ozone at Boulder corresponds closely with the location of the enhanced H2SO4/H2O aerosol from the Pinatubo eruption of 1991 as measured near Boulder and at Laramie, Wyoming. Trajectory analyses suggest that except at low altitudes in spring, air parcels on the days of the ozone measurements generally arrived at Boulder from higher latitude, although seldom higher than 60 deg N, and hence may have been subjected to heterogeneous chemical processing on the surface of Pinatubo aerosol droplets resulting in chlorine-catalyzed ozone destruction, a process which is believed to be more effective under the lower winter temperatures and sunlight levels of higher latitudes.

Hofmann, D. J.↗
DOE OSTI2026

Adsorption of CO on gold: effect of coverage and surface deformations

Recent insights into the nature of catalysts under reactive conditions have motivated investigating heterogeneously catalyzed reactions with non-rigid surfaces. As an example system to revisit, CO interactions with gold have been a longstanding system of interest due to its structure sensitivity. In this work, we investigate coverage-dependent CO adsorption trends on terraces, steps, and kinks. Calculating differential binding energy and mean absolute displacement of the atomic structures as a function of CO coverage, we propose a deformation quenching mechanism that partially determines CO saturation coverage. Extending this analysis to consider CO partial pressure, we show a phase change in CO step occupation, which we highlight as a possible explanation for previously reported temperature-programmed desorption and Fourier-transform infrared reflection-absorption spectroscopy measurements. Furthermore, this work shows how adopting a non-rigid surface model can lead to additional insights which may be applied to other heterogeneously catalyzed systems.

Kavalsky, Lance [University of Wisconsin-Madison, ↗
DOE OSTI2023

Chemical Recycling Processes of Waste Polyethylene Terephthalate Using Solid Catalysts

Polyethylene terephthalate (PET) is a non-degradable single-use plastic and a major component of plastic waste in landfills. Chemical recycling is one of the most widely adopted methods to transform post-consumer PET into PET's building block chemicals. Non-catalytic depolymerization of PET is very slow and requires high temperatures and/or pressures. Recent advancements in the field of material science and catalysis have delivered several innovative strategies to promote PET depolymerization under mild reaction conditions. Particularly, heterogeneous catalysts assisted depolymerization of post-consumer PET to monomers and other value-added chemicals is the most industrially compatible method. Here, this review includes current progresses on the heterogeneously catalyzed chemical recycling of PET. It describes four key pathways for PET depolymerization including, glycolysis, pyrolysis, alcoholysis, and reductive depolymerization. The catalyst function, active sites and structure-activity correlations are briefly outlined in each section. An outlook for future development is also presented.

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

Design, modeling and simulation of nuclear-powered integrated energy systems with cascaded heating applications

Nuclear-renewable integrated energy systems (IES) consist of a variety of energy generation and conversion technologies and can be used to meet heterogeneous end uses (e.g., electricity, heat, and cooling demands). In addition to supply-demand balance, end-use heat demands usually require heat supply of certain temperature ranges. The effective and efficient utilization of heat produced within an IES is, therefore, a critical challenge. Here, this paper examines design options of an IES that includes heating processes of multiple temperature grades. We investigate a cascaded design configuration, where the remaining residual heat after high-grade heating processes [e.g., hydrogen production through high-temperature steam electrolysis (HTSE)] is recovered to meet the low-grade heating needs [e.g., district heating (DH)]. Additionally, a thermal energy storage system is integrated into the DH system to address the imbalance between heat supply and demand. This paper primarily focuses on the design and modeling of the proposed system and evaluates its operation with a 24-h transient process simulation using a DH demand profile with hourly resolution. The results indicate that the residual heat from the HTSE exhaust is insufficient for the DH demand, and additional topping heat directly from the reactor process steam is needed. Furthermore, the inclusion of thermal energy storage within the DH system provides the necessary balance between thermal generation and demand, thereby ensuring a consistent rated temperature of the DH supply water. This approach helps minimize the control actions needed on the reactor side.

08 HYDROGEN↗
DOE OSTI2024

The Monolithic Heat Pipe Microreactor Reference Plant Model

This work introduces a reference plant model for a generic monolithic heat-pipe-cooled microreactor. The model will serve as a springboard to develop future evaluation models in the licensing process of similar microreactor designs at the U.S. Nuclear Regulatory Commission. This model has been developed with the Comprehensive Reactor Analysis Bundle and its specifications are based on open literature publications for the eVinci TM design. BlueCRAB is the U.S. Nu- clear Regulatory Commission non-light-water reactor analysis system based on the Multiphysics Object-Oriented Simulation Environment framework, which can couple the Griffin, BISON, and Sockeye applications to resolve the various physics that are essential for the safety analysis of this type of reactor system. The core specifications includes tristructural isotropic fuel, graphite monolith, graphite reflectors, and drums composed of graphite and B 4 C. No moderator or burnable poison pins are used in the design. The fuel enrichment is reduced to control excess reactivity in the core. This core design is not optimized and only serves for testing purposes, since the primary objective of this work is to exercise the multiphysics coupling for this type of reactor system. A three dimensional (3D) core heterogeneous Griffin discrete ordinates (SN) transport model allows the precise calculation of the flux distribution and pin powers. Griffin transfers the power density distribution and obtains a temperature distribution to and from BISON. The BISON model com- putes the 3D core temperature distribution and is coupled to 876 Sockeye subapplications running a heat pipe model. This 3D conduction model is coupled to the various heat pipes via heat flux boundary conditions. The model includes a small gap between the heat pipe and the monolith. Convective heat transfer boundaries with either ambient temperature or condenser temperature as heat sinks are imposed at the model boundaries. The 2D Sockeye heat pipe model uses a vapor- only methodology, which provides the needed resolution for transient calculations and allows the determination of various heat pipe limits. This approach is superior to the superconductor model traditionally used in steady-state calculations. BlueCRAB computes steady-state power and temperature distributions that serve as the initial condition for a loss-of-heat-sink transient simulation. The steady-state results show significant peaking due to the position of the control drum, but this is a characteristic of the particular design used, which is not optimized at this stage. The transient results show the reactor power slowly stabilizing towards a 3% power level after the partial loss of secondary heat removal. Several recriticalities are observed due to cooling through the secondary system but the reactor is self-stabilizing and behaves as expected.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1988

Thermal properties of heterogeneous grains

Cometary dust is not spherical nor homogeneous, yet these are the assumptions used to model its thermal, optical, and dynamical properties. To better understand the effects of heterogeneity on the thermal and optical properties of dust grains, the effective dielectric constant for an admixture of magnetite and a silicate were calculated using two different effective medium theories: the Maxwell-Garnett theory and the Bruggeman theory. In concept, the MG theory describes the effective dielectric constant of a matrix material into which is embedded a large number of very small inclusions of a second material. The Bruggeman theory describes the dielectric constant of a well mixed aggregate of two or more types of materials. Both theories assume that the individual particles are much smaller than the wavelength of the incident radiation. The refractivity for a heterogeneous grain using the MG theory is very similar to the refractivity of the matrix material, even for large volume fractions of the inclusion. The equilibrium grain temperature for spherical particles sized from .001 to 100 microns in radius at 1 astronomical unit from the sun was calculated. Further explanation is given.

Lien, David J.↗
NASA NTRS1991

Platinum/Tin Oxide/Silica Gel Catalyst Oxidizes CO

Heterogeneous catalyst of platinum, tin oxide, and silica gel combines small concentrations of laser dissociation products, CO and O2, to form CO22 during long times at ambient temperature. Developed as means to prevent accumulation of these products in sealed CO2 lasers. Effective at ambient operating temperatures and installs directly in laser envelope. Formulated to have very high surface area and to chemisorb controlled quantities of moisture: chemisorbed water contained within and upon its structure, makes it highly active and very longlived so only small quantity needed for long times.

Upchurch, Billy T.↗
NASA NTRS1990

Theoretical predictions

In order to understand the impact of man made chemicals on the atmospheric ozone layer, it is essential to develop models that can perform long term predictions of future ozone changes. An advantage of using two dimensional models is that they can be used to predict latitudinal and seasonal changes in ozone. The formulation and recent improvements are described in 2-D models, which are used herein, along with the three dimensional models that are currently being developed to better simulate transport of chemically active trace gases, especially in polar regions. The range in 2-D model calculations is described. Selected fields calculated by these models are compared with observations. A number of scenarios have been defined, which encompass possible emission rates of different halocarbons. Because of the large uncertainties in the rates for heterogeneous processes, the calculated responses of the models include only the effects of homogeneous chemistry. One important distinction among the models is their ability to account for temperature feedbacks on the calculated ozone changes.

Brasseur, G.↗
NASA NTRS2005

Li Isotope Studies of Olivine in Mantle Xenoliths by SIMS

Variations in the ratio of the stable isotopes of Li are a potentially powerful tracer of processes in planetary and nebular environments [1]. Large differences in the 7Li/6Li ratio between the terrestrial upper mantle and various crustal materials make Li isotope composition a potentially powerful tracer of crustal recycling processes on Earth [2]. Recent SIMS studies of terrestrial mantle and Martian meteorite samples report intra-mineral Li isotope zoning [3-5]. Substantial Li isotope heterogeneity also exists within and between the components of chondritic meteorites [6,7]. Experimental studies of Li diffusion suggest the potential for rapid isotope exchange at elevated temperatures [8]. Large variations in 7Li, exceeding the range of unaltered basalts, occur in terrestrial mantle-derived xenoliths from individual localities [9]. The origins of these variations are not fully understood.

Bell, D. R.↗
DOE OSTI2024

Density of molten oxides measured in an aero-acoustic levitator

Knowing the thermophysical properties of high-temperature melts can aid the design of melt processes and validate atomic structural models, such as those used in studying glass formation. Property measurements on such melts are challenging, however, due to container-related contamination and heterogeneous nucleation. Containerless processing techniques that employ levitation can be used to avoid these obstacles. In that context, we demonstrate here the application of silhouette imaging to measure the density of molten oxides in an aero-acoustic levitation instrument (AAL). The AAL combines gas jet levitation with actively controlled acoustic positioning to enable full optical access to samples ca. 2–4 mm in diameter, which are laser beam heated and melted. The cross sections of molten drops are imaged using a monochromatic light source and narrowband-filtered camera. Melt volume is calculated from the cross sections and used to find density at several temperatures ranging 1530–1920 K, including up to 350 K of supercooling. We report densities for CaAl 2 O 4 , Ca 12 Al 14 O 33 , CaSiO 3 , their Fe 2 O 3 -bearing analogs, and 83TiO 2 -17RE 2 O 3 (RE = La or Nd). These provide important benchmarks of the capabilities, measurement uncertainties, and future outlook for this technique.

36 MATERIALS SCIENCE↗
NASA NTRS1978

Regional variations in upper mantle compressional velocities beneath southern California 1. Post-shock temperatures: Their experimental determination, calculation, and implications, 2.

The compressional velocity within the upper mantle beneath Southern California is investigated through observations of the dependence of teleseismic P-delays at all stations of the array on the distance and azimuth to the event. The variation of residuals with azimuth was found to be as large as 1.3 sec at a single station; the delays were stable as a function of time, and no evidence was found for temporal velocity variations related to seismic activity in the area. These delays were used in the construction of models for the upper mantle P-velocity structure to depths of 150 km, both by ray tracing and inversion techniques. The models exhibit considerable lateral heterogeneity including a region of low velocity beneath the Imperial Valley, and regions of increased velocity beneath the Sierra Nevada and much of the Transverse Ranges. The development is described of a technique for the experimental determination of post-shock temperatures, and its application to several metals and silicates shocked to pressures in the range 5 to 30 GPa. The technique utilizes an infra-red radiation detector to determine the brightness temperature of the free surface of the sample after the shock wave has passed through it.

Raikes, S. A.↗
DOE OSTI2020

High surface area mesoporous tungsten oxide for fast, green oxidation of organosulfur compounds in crude oil

Mesoporous, multi-valent tungsten oxide with high surface area (209 m 2 /g) is synthesized via a novel metal dissolution coupled with reverse micelle formation approach. Mesoporous tungsten oxide with highest surface area reported is obtained by this method. The material is used as an excellent heterogeneous catalyst for the oxidation of organosulfur compounds present in crude oil. The complete oxidation of dibenzothiophene was observed with excellent yield (>99%) within 15 min at room temperature (20 °C). The catalyst is reusable up to 5 reaction cycles without losing significant activity. A green oxidant, H 2 O 2 is used and the reaction mechanism involves the activation of peroxo species by W 6+ . The oxidation activity decreases in the order of DBT > 4,6-DMDBT > 1-BT due to the changes in the electronic environment of sulfur and steric effects.

36 MATERIALS SCIENCE↗
DOE OSTI2020

3D diffractive imaging of nanoparticle ensembles using an x-ray laser

Single particle imaging at x-ray free electron lasers (XFELs) has the potential to determine the structure and dynamics of single biomolecules at room temperature. Two major hurdles have prevented this potential from being reached, namely, the collection of sufficient high-quality diffraction patterns and robust computational purification to overcome structural heterogeneity. We report the breaking of both of these barriers using gold nanoparticle test samples, recording around 10 million diffraction patterns at the European XFEL and structurally and orientationally sorting the patterns to obtain better than 3-nm-resolution 3D reconstructions for each of four samples. With these new developments, integrating advancements in x-ray sources, fast-framing detectors, efficient sample delivery, and data analysis algorithms, we illuminate the path towards sub-nanometer biomolecular imaging. The methods developed here can also be extended to characterize ensembles that are inherently diverse to obtain their full structural landscape.

47 OTHER INSTRUMENTATION↗