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NASA NTRS1988

A two component model for thermal emission from organic grains in Comet Halley

Observations of Comet Halley in the near infrared reveal a triple-peaked emission feature near 3.4 micrometer, characteristic of C-H stretching in hydrocarbons. A variety of plausible cometary materials exhibit these features, including the organic residue of irradiated candidate cometary ices (such as the residue of irradiated methane ice clathrate, and polycyclic aromatic hydrocarbons. Indeed, any molecule containing -CH3 and -CH2 alkanes will emit at 3.4 micrometer under suitable conditions. Therefore tentative identifications must rest on additional evidence, including a plausible account of the origins of the organic material, a plausible model for the infrared emission of this material, and a demonstration that this conjunction of material and model not only matches the 3 to 4 micrometer spectrum, but also does not yield additional emission features where none is observed. In the case of the residue of irradiated low occupancy methane ice clathrate, it is argued that the lab synthesis of the organic residue well simulates the radiation processing experienced by Comet Halley.

Chyba, Christopher↗

NASA NTRS1974

Simulation of lunar carbon chemistry. II - Lunar winds contribution

Simulation experiments, computations, and analysis of glassy agglutinates show that a directly condensed lunar wind vapor phase is strongly depleted in carbon and sulfur compounds and may recrystallize rapidly in the lunar thermal cycle and separate from host crystals. Factors preventing identification of low-energy species implanted from the lunar atmosphere are discussed. Computational results indicate that the implanted lunar winds carbon originates both from the vapor phases injected into the lunar atmosphere during thermal metamorphism of mature lunar soil grains and from direct volatization of impacting micrometeorites. It is suggested that microglass splashes and tiny crystalline grains possibly attached to the surface of coarser grains do not affect the characteristics of solar wind carbon chemistry in the lunar soil.

Bibring, J. P.↗

NASA NTRS1980

Research in the application of spectral data to crop identification and assessment, volume 2

The development of spectrometry crop development stage models is discussed with emphasis on models for corn and soybeans. One photothermal and four thermal meteorological models are evaluated. Spectral data were investigated as a source of information for crop yield models. Intercepted solar radiation and soil productivity are identified as factors related to yield which can be estimated from spectral data. Several techniques for machine classification of remotely sensed data for crop inventory were evaluated. Early season estimation, training procedures, the relationship of scene characteristics to classification performance, and full frame classification methods were studied. The optimal level for combining area and yield estimates of corn and soybeans is assessed utilizing current technology: digital analysis of LANDSAT MSS data on sample segments to provide area estimates and regression models to provide yield estimates.

Daughtry, C. S. T.↗

NASA NTRS1993

Regional mantle upwelling on Venus: The Beta-Atla-Themis anomaly and correlation with global tectonic patterns

The morphology and global distribution of volcanic centers and their association with other geological characteristics offers significant insight into the global patterns of geology, tectonic style, thermal state, and interior dynamics of Venus. Magellan data permit the detailed geological interpretation necessary to address questions about interior dynamics of Venus particularly as they reflect relatively physical, chemical, and thermal conditions of the interior. This paper focuses on the distribution of anomalous concentrations of volcanic centers on Venus and regional patterns of tectonic deformation as it may relate to the identification of global internal anomalies, including mantle dynamic, petrological, or thermal patterns.

Crumpler, L. S.↗

NASA NTRS2019

Properties of Rubble-Pile Asteroid (101955) Bennu from OSIRIS-REx Imaging and Thermal Analysis

Establishing the abundance and physical properties of regolith and boulders on asteroids is crucial for understanding the formation and degradation mechanisms at work on their surfaces. Using images and thermal data from NASA's Origins, Spectral Interpretation, Resource Identification, and Security-Regolith Explorer (OSIRIS-REx) spacecraft, we show that asteroid (101955) Bennu's surface is globally rough, dense with boulders, and low in albedo. The number of boulders is surprising given Bennu's moderate thermal inertia, suggesting that simple models linking thermal inertia to particle size do not adequately capture the complexity relating these properties. At the same time, we find evidence for a wide range of particle sizes with distinct albedo characteristics. Our findings imply that ages of Bennu's surface particles span from the disruption of the asteroid's parent body (boulders) to recent in situ production (micrometre-scale particles).

DellaGiustina, D. N.↗

NASA NTRS2020

Volatile-rich Asteroids in the Inner Solar System

Bennu (101195), target of the Origins, Spectral Interpretation, Resource Identification, Security, Regolith Explorer (OSIRIS-REx) mission, is a type-B asteroid with abundant spectral evidence for hydrated silicates, low thermal inertia “boulders” and frequent bursts of particle emission. We suggest that Bennu’s parent body formed in the outer solar system before it was perturbed into the asteroid belt and then evolved into a near-Earth object. We show that this is consistent with models of planetesimal evolution. Bennu has many characteristics expected for a dormant comet, and could potentially contain a minimum of 1 wt.% adsorbed water if its gross mineralogy is consistent with the Orgueil meteorite. This is in addition to any ice or water contained within the hydrous minerals themselves. Based on this hypothesis, we predict the properties of the samples that will be returned to Earth by the OSIRIS-REx mission, including abundant phyllosilicate minerals, amorphous hydrated silicates and low-density, very high-porosity aggregates, already observed by the OSIRIS-REx instrument suite. We predict enrichments in D/H and 15N/14N, high C/Mg ratios (>∼7 wt%), and a greater range of organic compositions than found in meteorites, including an organic component poor in aromatics, and a more labile organic fraction. Ammonium salts, ranging from NH4Cl to ammonium–organic acid salts could carry much of the nitrogen in comets, yet only NH4CH3COO and heavier salts are sufficiently stable to be found in these returned samples. Water adsorbed onto highly porous grains should also be detected provided that the sample return capsule remains below 300 K during Earth return, and this water should be isotopically heavy.

Joseph A. Nuth, III↗

DOE OSTI2026

Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations

Understanding the anharmonic phonon properties of crystal compounds—such as phonon lifetimes and thermal conductivities—is essential for investigating and optimizing their thermal transport behaviors. These properties also impact optical, electronic, and magnetic characteristics through interactions between phonons and other quasiparticles and fields. In this study, we develop an automated first-principles workflow to calculate anharmonic phonon properties and build a comprehensive database encompassing more than 6500 inorganic compounds. Utilizing this dataset, we train a graph neural network model to predict thermal conductivity values and spectra from structural parameters, demonstrating a scaling law in which prediction accuracy improves with increasing training data size. High-throughput screening with the model enables the identification of materials exhibiting extreme thermal conductivities—both high and low. The resulting database offers valuable insights into the anharmonic behavior of phonons, thereby accelerating the design and development of advanced functional materials.

Ohnishi, Masato [University of Tokyo (Japan); Inst↗

DOE OSTI2021

Shape-Selective Synthesis of Alkylcyclopentenyl Cations in Zeolites and Spectroscopic Distinction of Constitutional Isomers

Alkylcyclopentenyl cations belong to the long-lived intermediates that make up the “hydrocarbon pool” during the catalytic conversion of methanol on zeolites, and recent works show that such cations contribute to olefin and aromatics formation. From liquid phase chemistry, two types of alkylcyclopentenyl cations are known and distinguished by the substituent at the central carbon (C-2) of the allylic system: a more stable type with a methyl group at the C-2 and a less stable type with hydrogen at the C-2. The following three linked objectives are pursued: (i) IR spectroscopic distinction of the different substitution patterns at the allylic system of alkylcyclopentenyl cations, (ii) the role of the zeolite framework in determining the substitution pattern, and (iii) identification of alkylcyclopentenyl cations from precursors relevant to methanol-to-olefins conversion. UV–vis and IR spectroscopy are applied in situ to characterize alkylcyclopentenyl cations produced by adsorption of a pentaalkylcyclopentadiene or by adsorption and thermally induced cyclization of 2,6-dimethyl-2,4,6-octatriene. Prior knowledge of electronic spectra is combined with DFT-computed and experimental IR spectra to establish the frequency of the C–H vibration of the C-2 hydrogen-substituted type, and a characteristic red shift of the asymmetric allylic stretching vibration (Δν ≈ -20 to -30 cm –1 ) after replacing hydrogen by methyl at the central carbon of the allylic system. Although DFT demonstrates that both types of ions fit into medium- and large-pore zeolites and that the C-2 methyl-substituted type is thermodynamically favored even in the pores of the considered zeolites, formation of alkylcyclopentenyl cations is found by UV–vis and IR spectra to be shape-selective. The bulkier C-2 methyl-substituted type is detected in large-pore zeolites (MOR, BEA) and in the intersections of medium-pore zeolites (MFI), whereas in channels of medium size (TON), the less bulky C-2 hydrogen-substituted type is exclusively formed. Finally, the type of ion formed and its overall size are dictated by the zeolite framework and are independent of the precursor; the same type of alkylcyclopentenyl cation as found through cyclization of dimethyloctatriene could be generated from ethene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1983

Character and stability of axisymmetric thermal convection in spheres and spherical shells

The influence of shell size and mode of heating on the behavior and stability of axisymmetric, infinite Prandtl number convection in a spherical geometry is studied. Heating from within and below features convection onset governed by a self-adjoint system of equations and boundary conditions. For heating only from within or from below, linearized equations and boundary conditions are non-self-adjoint. Identification of the parameter which initiates the departure from self-adjointness, together with the properties of the self-adjoint solution, provide a basis for calculating the heat transfer characteristics of the non-self-adjoint situations. The investigations are an effort to develop a model for heat transfer in planetary interiors. Further development of the technique by modifying the Galerkin method by the introduction of diagonal mode truncation is suggested to permit the consideration of higher values of the Rayleigh numbers, i.e., those more commensurate with terrestrial planet mantles.

Zebib, A.↗

NASA NTRS1984

A deployable structure and solar array controls experiment for STEP

A candidate configuration for a controls experiment on the Space Technology Experiments Platform (STEP) is described. The elements of the experiment are the mast, the solar array, and an articulation module between the two. The characteristic dimensions are very compatible for integration on a pallet such a STEP's proposed configuration. The controls' objective would be the measurement of orbiter interaction as well as the system identification of the appendages. The flight experiment configuration would also provide a test bed for various active vibration controls concepts. The instrumentation being considered would measure accelerations, strains, displacements, and temperatures. The deployable mast has eight elements defining a structural bay. Uniaxial measurements would be required to define loads at a cross section of the structure. Displacements due to thermal distortion of the mast and the local state of the solar concentrator may be measured by an optical ranging technique from the orbiter aft flight deck.

Nishimoto, T. S.↗

DOE OSTI2023

Multi-Functional Applications of H-Glass Embedded with Stable Plasmonic Gold Nanoislands

Metal nanoparticles (MNPs) are synthesized using various techniques on diverse substrates that significantly impact their properties. However, among the substrate materials investigated, the major challenge is the stability of MNPs due to their poor adhesion to the substrate. Herein, it is demonstrated how a newly developed H-glass can concurrently stabilize plasmonic gold nanoislands (GNIs) and offer multifunctional applications. The GNIs on the H-glass are synthesized using a simple yet, robust thermal dewetting process. The H-glass embedded with GNIs demonstrates versatility in its applications, such as i) acting as a room temperature chemiresistive gas sensor (70% response for NO 2 gas); ii) serving as substrates for surface-enhanced Raman spectroscopy for the identifications of Nile blue (dye) and picric acid (explosive) analytes down to nanomolar concentrations with enhancement factors of 4.8 × 10 6 and 6.1 × 10 5 , respectively; and iii) functioning as a nonlinear optical saturable absorber with a saturation intensity of 18.36 × 10 15 W m -2 at 600 nm, and the performance characteristics are on par with those of materials reported in the existing literature. In conclusion, this work establishes a facile strategy to develop advanced materials by depositing metal nanoislands on glass for various functional applications.

36 MATERIALS SCIENCE↗

NASA NTRS1983

Optical characteristics of young quasars as sources of the cosmic X-ray background

The sources which dominate the thermal cosmic X-ray background cannot have X-ray spectra similar to the power laws measured for bright active galactic nuclei. The optical consequences of this disparity are pursued by considering a standard model for the photoexcitation and heating of the line emitting gas surrounding a central source (e.g., such as a quasar). The optical line emission to be associated with compact young quasar sources having the same X-ray spectrum as the X-ray background is found to be substantially different from that characteristic of typical quasars. Implications on quasar source counts and the identification of such new objects are discussed.

Boldt, E.↗

NASA NTRS1994

Magnetite: What it reveals about the origin of the banded iron formations

Magnetite, Fe3O4 is produced abiotically and biotically. Abiotically, magnetite is a late magmatic mineral and forms as a consequence of the cooling of iron rich magma. Biotically, magnetite is produced by several organisms, including magnetotactic bacteria. Hematite, Fe2O3, is also produced abiotically and biotically. Abiotically, hematite rarely occurs as a primary mineral in igneous rocks, but is common as an alteration product, fumarole deposit, and in some metamorphosed Fe-rich rocks. Biotically, hematite is produced by several types of microorganisms. Biologically-produced magnetite and hematite are formed under the control of the host organism, and consequently, have characteristics not found in abiotically produced magnetite and hematite crystals. To determine if the magnetite and hematite in the Banded Iron Formation was biologically or abiotically produced, the characteristics of biologically-produced magnetite and hematite (concentrated from Aquaspirillum magnetotacticum) and abiotically-produced magnetite and hematite obtained from Wards Scientific Supply Company, were compared with characteristics of magnetite and hematite concentrated from the Gunflint Banded Iron Formation (Ontario, Canada) using thermal and crystallographic analytical techniques. Whole rock analysis of the Gunflint Banded Iron Formation by x-ray diffraction (XRD) and differential thermal analysis (DTA) revealed the presence of quartz, hematite, siderite and dolomite as the major minerals, and magnetite, greenalite, pyrite, pyrrhotite and apatite as the minor minerals. Analysis of a crude magnetic fraction of the Gunflint showed the minerals quartz, hematite, siderite, dolomite, and magnetite. Analysis of the crude magnetic fraction from Aquaspirillum magnetotacticum revealed organic compounds plus hematite and magnetite. The mineral identification and particle size distribution data obtained from the DTA along with XRD data indicate that the magnetite and hematite from the Gunflint BIF share some similarities with biologically formed magnetite and hematite.

Schwartz, D. E.↗

NASA NTRS1984

Optical characteristics of young quasars as sources of the cosmic X-ray background

The sources which dominate the thermal cosmic X-ray background cannot have X-ray spectra similar to the power laws measured for bright active galactic nuclei. The optical consequences of this disparity are pursued by considering a standard model for the photoexcitation and heating of the line-emitting gas surrounding a central source (e.g., such as a quasar). The optical line emission to be associated with compact young quasar sources having the same X-ray spectrum as the X-ray background is found to be substantially different from that characteristic of typical quasars. Implications on quasar source counts and the identification of such new objects are discussed.

Boldt, E.↗

NASA NTRS1988

Physical properties of asteroids

Infrared photometry at 1.2, 1.6 and 2.2 micrometer provides a relatively rapid and accurate method for the classification of asteroids and is important for comparison with laboratory measurements of meteorites and other possible compositional analogues. Extension beyond the visual is espicially useful for minerals which have strong characteristic infrared colors such as olivine in the A class asteroids. Radiometry at long infrared wavelengths is important for deriving basic physical parameters (via thermal models) such as size and albedo which in turn enables the conversion of relative colors to absolute reflectances. In particular, albedos are the only way to distinguish among the otherwise ambiguous E, M and P classes of asteroids. Infrared observations of 15 asteroids were made at the NASA infrared Telescope Facility (IRTF) on Mauna Kea in 1987. Researchers completed the analysis of 22 Aten, Apollo and Amor asteroids. Results include albedos and diameters for these objects as well as the identification of the first known class M and Class E near-Earth asteroids. The standard thermal model appears to be inadequate for some of these small asteroids because of their coarse regolith, so researchers constructed a rotating thermal model for such asteroids. They have identified a subtle systematic difference between the sub-populations of large and small IRAS asteroids as well as several anomalous objects.

Veeder, Glenn J.↗

NASA NTRS2012

G-LiHT: Goddard's LiDAR, Hyperspectral and Thermal Airborne Imager

Scientists at NASA's Goddard Space Flight Center have developed an ultra-portable, low-cost, multi-sensor remote sensing system for studying the form and function of terrestrial ecosystems. G-LiHT integrates two LIDARs, a 905 nanometer single beam profiler and 1550 nm scanner, with a narrowband (1.5 nanometers) VNIR imaging spectrometer and a broadband (8-14 micrometers) thermal imager. The small footprint (approximately 12 centimeters) LIDAR data and approximately 1 meter ground resolution imagery are advantageous for high resolution applications such as the delineation of canopy crowns, characterization of canopy gaps, and the identification of sparse, low-stature vegetation, which is difficult to detect from space-based instruments and large-footprint LiDAR. The hyperspectral and thermal imagery can be used to characterize species composition, variations in biophysical variables (e.g., photosynthetic pigments), surface temperature, and responses to environmental stressors (e.g., heat, moisture loss). Additionally, the combination of LIDAR optical, and thermal data from G-LiHT is being used to assess forest health by sensing differences in foliage density, photosynthetic pigments, and transpiration. Low operating costs (approximately $1 ha) have allowed us to evaluate seasonal differences in LiDAR, passive optical and thermal data, which provides insight into year-round observations from space. Canopy characteristics and tree allometry (e.g., crown height:width, canopy:ground reflectance) derived from G-LiHT data are being used to generate realistic scenes for radiative transfer models, which in turn are being used to improve instrument design and ensure continuity between LiDAR instruments. G-LiHT has been installed and tested in aircraft with fuselage viewports and in a custom wing-mounted pod that allows G-LiHT to be flown on any Cessna 206, a common aircraft in use throughout the world. G-LiHT is currently being used for forest biomass and growth estimation in the CONUS and Mexico in support of NASA's Carbon Monitoring System (CMS) and AMIGA-Carb (AMerican Icesat Glas Assessment of Carbon). For NASA's CMS, wall-to-wall G-LiHT data have been acquired over intensive study sites with historic LiDAR datasets, dense inventory data, stem maps and flux tower observations. For AMIGA-Carb, G-LiHT transects have been acquired over ICESat tracks and USDA-FS inventory plots throughout the CONUS, and similar data will be acquired in Mexico during 2013. This talk will highlight recent science results from continental-scale transects landscape-scale deployments of G-LiHT, as well as seasonal forest dynamics from repeat pass G-LiHT acquisitions.

Cook, Bruce↗

DOE OSTI2022

Mapping thermal energy storage technologies with advanced nuclear reactors

Advanced nuclear power plants (NPPs) will potentially need to operate in environments where power generation flexibility is more highly valued than the stability or baseload generation capability for conventional demand curves. Thermal energy storage (TES) systems would enable NPPs to respond nimbly to market variability and could also position advanced NPPs to participate differently in restructured markets, thus further enhancing their economic competitiveness. TES systems could also benefit the electric grid by eliminating the need for peaking plants, as well as by improving the economic performance of baseload NPPs. While TES technologies afford a unique opportunity to address many of these challenges, the applicability of these systems is also complicated by the fact that various advanced NPPs are designed differently, each with its own temperature range, size, operating fluids, and operating conditions. Hence, TES systems face significant barriers to investment, as more information on their compatibility and performance metrics is needed to quantify the advantages provided by each, as well as the challenges these technologies might face if coupled with a particular type of advanced NPP. This study explores the possibility of integrating a wide variety of TES technologies with various categories of advanced NPPs, based on their operating characteristics. To help decision makers, users and developers decide which TES technology is best suited to a particular category of advanced NPPs, this research present a Phenomena Identification and Ranking Table (PIRT) analysis of 10 TES systems that could potentially be coupled with advanced NPPs, which themselves are divided into nine categories based on their operating conditions. Then, each advanced NPP category is evaluated for compatibility with the 10 TES systems by assembling and discussing a database of information concerning 10 engineering questions, defined herein in as figures of merit (FOMs), such as: technology readiness level (TRL), temperature compatibility, energy density, size, cycle frequency, ramp time, realignment frequency, geographic needs, environmental impact, and interventions. By assembling a database of information concerning the TES technologies' compatibility with various advanced NPP systems, this study can help developers acquaint themselves with a particular TES technology before choosing to build a new integrated installation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

A review of neutronics and thermal hydraulics–based screening methods applied to accelerated nuclear fuel qualification

This paper reviews the state-of-the-art engineering approach for using thermal hydraulic (TH) and neutronics modeling and simulation (M&S) tools to perform rapid screening studies of novel nuclear fuel concepts within the context of accelerated fuel qualification. Global research efforts have introduced nuclear fuel and material concepts that mark a significant departure from traditional reactor materials. The number of new technologies being considered for development for light water reactors and advanced reactor types has created the need for an accelerated fuel qualification procedure. A key component of this procedure is the rapid identification of the most promising fuel concepts using computational screening studies. Advanced TH and neutronic M&S tools should be leveraged to efficiently determine whether the reactor performance and safety characteristics of a given concept warrant additional studies or whether the concept requires modification or elimination. This paper reviews best practices for performing these TH and neutronics screening studies at various stages during a fuel concept's progression through the qualification procedure. The motivation behind standardizing this approach is to minimize time and resources spent on qualification activities for fuel concepts that could be quickly refined or eliminated from consideration based on their reactor physics and TH characteristics. Adoption of this screening procedure—which focuses primarily on nuclear fuels but may be applicable to other reactor materials—will also help accelerate new material qualification by generating boundary conditions crucial to fuel performance evaluations and highlighting needed areas of separate effects experimentation. This article reviews the motivation behind the introduction of novel nuclear fuel concepts, provides incentive for utilizing TH- and neutronics-based screening studies, describes the screening approach and methodology, and includes discussion on how to interpret screening results to provide recommendations for the continued development of a given concept.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗