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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 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
NASA NTRS2024

Electrical Properties of Lunar Environment Used for Predicting Lunar RF Propagation Characteristics

This contribution treats the lunar propagation environment as a three region medium: lunar exosphere, lunar regolith, and lunar bedrocks. Then it provides models for predicting the electromagnetic characteristics of each region. The electromagnetic characteristics could be electric characteristics represented by the complex relative permittivity, or magnetic characteristics represented by the complex relative permeability or both electric and magnetic characteristics. The lunar exosphere and the lunar bedrocks have only electric characteristics. The lunar regolith has both electric and magnetic characteristics. The complex relative permittivity models for lunar regolith are mapping of the corresponding models for Earth surface components reported in ITU-R P. 527-6. The complex relative permittivity prediction model of lunar exosphere is expressed in terms of a plasma frequency similar to the ordinary wave critical frequency in the corresponding model for the ionosphere. Based on this fascicle the following can be concluded for the frequency bands of 390 MHz and above: • The lunar exosphere can be treated as a free space, • The lunar regolith can be considered as non-magnetic, • The regolith complex relative permittivity has no temperature dependence, • The real part of the regolith complex relative permittivity depends only on regolith bulk density and it has no frequency dependence, and • The variation of regolith complex relative permittivity with regolith depth should be taken into consideration. Moreover, at frequencies of 2400 MHz and above, the lunar regolith can be treated as a uniform medium with complex relative permittivity equal to the corresponding complex relative permittivity at the regolith surface.

Electrical Permittivity↗
DOE OSTI2020

Distinct Surface and Bulk Thermal Behaviors of LiNi 0.6 Mn 0.2 Co 0.2 O 2 Cathode Materials as a Function of State of Charge

Understanding how structural and chemical transformations take place in particles under thermal conditions can inform designing thermally robust electrode materials. Such a study necessitates the use of diagnostic techniques that are capable of probing the transformations at multiple length scales and at different states of charge (SOC). In this study, the thermal behavior ofLiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC-622) was examined as a function of SOC, using an array of bulk and surface-sensitive techniques. In general, thermal stability decreases as lithium content is lowered and conversion in the bulk to progressively reduced metal oxides (spinels, rock salt) occurs as the temperature is raised. Hard X-ray absorption spectroscopy (XAS) and X-ray Raman spectroscopy (XRS) experiments, which probe the bulk, reveal that Ni and Co are eventually reduced when partially delithiated samples (regardless of the SOC) are heated, although Mn is not. Surface-sensitive synchrotron techniques, such as soft XAS and transmission X-ray microscopy (TXM), however, reveal that for 50% delithiated samples, apparent oxidation of nickel occurs at particle surfaces under some circumstances. This is partially compensated by reduction of cobalt but may also be a consequence of redistribution of lithium ions upon heating. TXM results indicate the movement of reduced nickel ions into particle interiors or oxidized nickel ions to the surface or both. These experiments illustrate the complexity of the thermal behavior of NMC cathode materials. The study also informs the importance of investigating the surface and bulk difference as a function of SOC when studying the thermal behaviors of battery materials.

25 ENERGY STORAGE↗
NASA NTRS1981

A general method for computing the total solar radiation force on complex spacecraft structures

The method circumvents many of the existing difficulties in computational logic presently encountered in the direct analytical or numerical evaluation of the appropriate surface integral. It may be applied to complex spacecraft structures for computing the total force arising from either specular or diffuse reflection or even from non-Lambertian reflection and re-radiation.

Chan, F. K.↗
NASA NTRS2000

Reflective Silvered Polyimide Films Via In Situ Thermal Reduction Silver (I) Complexes

Self-metallizing. flexible polyimide films with highly reflective surfaces are prepared by an in situ self-metallization procedure involving thermally initiated reduction of polymer-soluble silver(I) complexes. Polyamic acid solutions are doped with silver(I) acetate and solubilizing agents. Thermally curing the silver(I) doped resins leads to flexible. metallized films which have reflectivities as high as 100%. abrasion-resistant surfaces. thermal stability and, in some cases, electrical conductivity, rendering them useful for space applications.

Southward, Robin E.↗
DOE OSTI2023

Evaluation of global teleconnections in CMIP6 climate projections using complex networks

In climatological research, the evaluation of climate models is one of the central research subjects. As an expression of large-scale dynamical processes, global teleconnections play a major role in interannual to decadal climate variability. Their realistic representation is an indispensable requirement for the simulation of climate change, both natural and anthropogenic. Therefore, the evaluation of global teleconnections is of utmost importance when assessing the physical plausibility of climate projections. We present an application of the graph-theoretical analysis tool δ-MAPS, which constructs complex networks on the basis of spatio-temporal gridded data sets, here sea surface temperature and geopotential height at 500 hPa. Complex networks complement more traditional methods in the analysis of climate variability, like the classification of circulation regimes or empirical orthogonal functions, assuming a new non-linear perspective. While doing so, a number of technical tools and metrics, borrowed from different fields of data science, are implemented into the δ-MAPS framework in order to overcome specific challenges posed by our target problem. Those are trend empirical orthogonal functions (EOFs), distance correlation and distance multicorrelation, and the structural similarity index. δ-MAPS is a two-stage algorithm. In the first place, it assembles grid cells with highly coherent temporal evolution into so-called domains. In a second step, the teleconnections between the domains are inferred by means of the non-linear distance correlation. We construct 2 unipartite and 1 bipartite network for 22 historical CMIP6 climate projections and 2 century-long coupled reanalyses (CERA-20C and 20CRv3). Potential non-stationarity is taken into account by the use of moving time windows. The networks derived from projection data are compared to those from reanalyses. Our results indicate that no single climate projection outperforms all others in every aspect of the evaluation. But there are indeed models which tend to perform better/worse in many aspects. Differences in model performance are generally low within the geopotential height unipartite networks but higher in sea surface temperature and most pronounced in the bipartite network representing the interaction between ocean and atmosphere.

58 GEOSCIENCES↗
DOE OSTI2021

Characterization of a Molecule Partially Confined at the Pore Mouth of a Zeotype

Abstract We investigate the interaction between a molecule and a pore mouth—a critical step in adsorption processes—by characterizing the conformation of a macrocyclic calix[4]arene‐Ti IV complex, which is grafted on the external surface of a zeotype (*‐SVY). X‐ray absorption and 13 C{ 1 H} CPMAS NMR spectroscopies independently detect a unique conformation of this complex when it is grafted at crystallographically equivalent locations that lie at the interface of 7 Å hemispherical microporous cavities and the external surface. Electronic structure calculations support the presence of this unique conformation, and suggest that it is brought about by a specific orientation of the macrocycle that maximizes non‐covalent interactions between calix[4]arene upper‐rim tert ‐butyl substituents and the microporous‐cavity walls. Our comparative study provides a rare “snapshot” of a molecule partially confined at a pore mouth, an essential intermediate for adsorption into micropores, and demonstrates how surrounding environment controls this confinement in a sensitive fashion.

Grosso‐Giordano, Nicolás A.↗
DOE OSTI2024

Site heterogeneity and broad surface-binding isotherms in modern catalysis: Building intuition beyond the Sabatier principle

Learning the science of heterogeneous catalysis and electrocatalysis always starts with the simple case of a flat, uniform surface with an ideal adsorbate. It has of course been recognized for a century that real catalysts are more complicated. For the increasingly complex catalysts of the 21st century, this Perspective argues that surface heterogeneity and non-ideal binding isotherms are central features, and their implications need to be incorporated in current thinking. A variety of systems are described herein where catalyst complexity leads to broad, non-Langmuirian surface isotherms for the binding of hydrogen atoms – and this occurs even for ideal, flat Pt(111) surfaces. Modern catalysis employs nanoscale materials whose surfaces have substantial step, edge, corner, impurity, and other defect sites, and they increasingly have both metallic and non-metallic elements M n X m , including metal oxides, chalcogenides, pnictides, carbides, doped carbons, etc. The surfaces of such catalysts are often not crystal facets of the bulk phase underneath, and they typically have a variety of potential active sites. Catalytic surfaces in operando are often non-stoichiometric, amorphous, dynamic, and impure, and often vary from one part of the surface to another. Understanding of the issues that arise at such nanoscale, multi-element catalysts is just beginning to emerge. Yet these catalysts are widely discussed using Brønsted/Bell-Evans-Polanyi (BEP) relations, volcano plots, Tafel slopes, the Butler-Volmer equation, and other linear free energy relations (LFERs), which all depend on the implicit assumption that the active sites are “similar” and that surface adsorption is close to ideal. These assumptions underly the ubiquitous intuition based on the Sabatier Principle, that the fastest catalysis will occur when key intermediates have free energies of adsorption that are not too strong nor too weak. Current catalysis research often aims to minimize the complexity of non-ideal isotherms through experimental and computational design (e.g., the use of single crystal surfaces), and these studies are the foundation of the field. In contrast, this Perspective argues that the heterogeneity of binding sites and binding energies is an inherent strength of these catalysts. Here, this diversity makes many nanoscale catalysts inherently a high-throughput screen wrapped in a tiny package. Only by making the heterogeneity part of the foundation of catalysis models, sorting the types of active sites and dissecting non-ideal binding isotherms, will modern catalysis learn to harness the inherent diversity of real catalysts. Controlling and exploiting diversity rather than avoiding it will help to optimize complex modern catalysts and catalytic conditions.

Mayer, James M.↗
DOE OSTI2019

Methane Chemisorption on Oxide‐Supported Pt Single Atom

Abstract Methane chemisorption has been recently demonstrated on the rutile IrO 2 (110) surface. However, it remains unclear how the general requirements are for methane chemisorption or complexation with a single atom on an oxide surface. By exploring methane adsorption on Pt 1 substitutionally doped on many rutile‐type oxides using hybrid density functional theory, we show that the occupancy of the Pt d z 2 orbital is the key to methane chemisorption. Pt single atom on the semiconducting or wide‐gap oxides such as TiO 2 and GeO 2 strongly chemisorbs methane, because the empty Pt d z 2 orbital is located in the gap and can effectively accept σ‐electron donation from the methane C−H bond. In contrast, Pt single atom on metallic oxides such as IrO 2 and RuO 2 does not chemisorb methane, because the Pt d z 2 orbital strongly mixes with the support‐oxide electronic states and become more occupied, losing its ability to chemisorb methane. This study sheds further light on the impact of the interaction between a Pt single atom and the oxide support on methane adsorption.

Fung, Victor↗
DOE OSTI2021

Hydrogen Bonds and H 3 O + Formation at the Water Interface with Formic Acid Covered Anatase TiO 2

Carboxylic acid-modified TiO 2 surfaces in aqueous environment are of widespread interest, yet atomic-scale understanding of their structure is limited. In this work, we investigate formic acid (FA) on anatase TiO 2 (101) (A-101) in contact with water using density functional theory (DFT) and ab-initio molecular dynamics (AIMD). Isolated FA molecules adsorbed in a deprotonated bridging bidentate (BD) form on A-101 are found to remain stable at the interface with water, with the acid proton transferred to a surface oxygen to form a surface bridging hydroxyl (O br H). With increasing FA coverage, adsorbed monolayers of only BD and successively of alternating monodentate (MD) and BD species give rise to a higher concentration of surface O br H’s. Simulations of these adsorbed monolayers in water environment show that some protons are released from the surface O br H’s to water resulting in a negatively charged surface with nearby solvated H 3 O + ions. These results provide insight into the complex acid-base equilibrium between an oxide surface, adsorbates and water and can also help obtain a better understanding of the wetting properties of chemically modified TiO 2 surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1984

Structural tests and development of a laminar flow control wing surface composite chordwise joint

The dramatic increases in fuel costs and the potential for periods of limited fuel availability provided the impetus to explore technologies to reduce transport aircraft fuel consumption. NASA sponsored the Aircraft Energy Efficiency (ACEE) program beginning in 1976 to develop technologies to improve fuel efficiency. The Lockheed-Georgia Company accomplished under NAS1-16235 Laminar-Flow-Control (LFC) Wing Panel Structural Design and Development (WSSD); design, manufacturing, and testing activities. An in-depth preliminary design of the baseline 1993 LFC wing was accomplished. A surface panel using the Lockheed graphite/epoxy integrated LFC wing box structural concept was designed. The concept was shown by analysis to be structurally efficient and cost effective. Critical details of the surface and surface joint was demonstrated by fabricating and testing complex, concept selection specimens. The Lockheed-Georgia Company accomplishments, Development of LFC Wind Surface Composite Structures (WSCS), are documented. Tests were conducted on two CV2 panels to verify the static tension and fatigue strength of LFC wing surface chordwise joints.

Lineberger, L. B.↗
NASA NTRS1985

Duplicating Curved Tile Surfaces for Pull Testing

Strength of adhesive bonds to fragile objects with complex shapes tested easily with vacuum chucks. In bond-strength test, contact surface of chuck pressed against matching surface of bonded tile. Vacuum line extending through fine bore in chuck creates vacuum at chuck-and-tile interface. Thus, when chuck pulled away, atmospheric pressure tends to push tile away with chuck. If adhesive resists predetermined pull exerted by chuck on tile, bond acceptable. Originally developed for vacuum chucks used on silica tiles attached to outer surface of Space Shuttle orbiter, used to custom-fabricate chuck for specific tile.

Sebenick, R. H.↗
NASA NTRS2000

The Use of Vegetation For Estimating Broken-Cloud Optical Properties From Surface Measurements

It is known that because of complex three-dimensional (3D) radiative effects of broken clouds, the retrieval of cloud optical properties from upward measurements based on a one-dimensional (1D) inversion technique almost surely fails. To remove radiative effects of 3D cloud structure, we have developed a new technique that retrieves cloud optical thickness for broken clouds above green vegetation from simultaneous surface measurements in the VIS and Near Infrared (NIR) spectral regions. The theoretical basis of the method is the very different spectral behavior of cloud liquid water drops and green vegetation. For example, cloud optical properties, and hence cloud reflectivities, change little between 650 and 860 nm, while the vegetated surface albedo changes from 0.05 to 0.5 between the same two wavelengths. This spectral contrast in surface albedo suggests using ground measurements at both wavelengths not independently, but as an algebraic combination (a spectral index). For a spectral band in the NIR region, the green vegetation acts as a powerful reflector that "illuminates" horizontally inhomogeneous clouds from below. This provides the extra information needed to largely remove the 3D radiative effects, especially in the case of broken clouds; this in turn allows the retrieval of cloud optical depth using traditional 1D radiative transfer theory. This approach is similar to the so-called Green's function problem for radiative transfer where a laser beam illuminates clouds and the resulting "spot-size" of the reflected light around the beam characterizes cloud properties. We generalize Green's function theory to surf ace-cloud interaction and develop new spectral indices from which broken-cloud optical depth can be retrieved.

Marshak, A.↗
DOE OSTI2021

Strengthening of Calcite Assemblages Through Chemical Complexation Reactions

Abstract Utilization of subsurface reservoirs, including fluid extraction/injection, can induce stress changes and modify in‐situ chemical equilibrium causing subcritical fracturing and deformation. Here, we show that chemical complexation reactions at the newly created fracture surfaces within the crack tip limit fracturing during consolidation of granular calcite assemblages. Previously, we showed that analogous chemical complexation reactions can increase in‐situ fracture toughness in pre‐fractured single crystal calcite. To test the chemical complexation effect under subsurface conditions, we consolidated samples under increasing hydrostatic pressure to induce widespread intergranular fracturing in the presence of fluid containing common anions. Measured consolidation, acoustic emissions, and microfracturing demonstrate that deformation correlates with complexation affinity for calcium in calcite and aqueous anions. We observed that deformation is lowest in the presence of strongly complexing anions (e.g., sulphate), provided sufficient anion diffusion rates. This understanding is important for predicting reservoir effective strength in the presence of complex aqueous fluids.

Choens, R. C.↗
DOE OSTI2024

Development of a Method for Shape Optimization for a Gas Turbine Fuel Injector Design Using Metal-Additive Manufacturing

Adjoint shape optimization has enabled physics-based optimal designs for aerodynamic surfaces. Additive manufacturing (AM) makes it possible to manufacture complex shapes. However, there has been a gap between optimal and manufacturable surfaces due to the inherent limitations of commercial computational fluid dynamics (CFD) codes to implement geometric constraints during adjoint computation. In such cases, the design sensitivities are exported and used to perform constrained shape modifications using parametric information stored in computer aided design (CAD) files to satisfy manufacturability constraints. However, modifying the design using adjoint methods in CFD solvers and performing constrained shape modification in CAD can lead to inconsistencies due to different shape parameterization schemes. This paper describes a method to enable the simultaneous optimization of the fluid domain and impose AM manufacturability constraints, resolving one of the key issues of geometry definition for isogeometric analysis. Similar to a grid convergence study, the proposed method verifies the consistencies between shape parameterization techniques present within commercial CAD and CFD software during mesh movement as a part of the adjoint shape optimization routine. By identifying the appropriate parameters essential to a shape optimization study, the error metric between the different parameterization techniques converges to demonstrate sufficient consistencies for justifiable exchange of data between CAD and CFD. For the identified shape optimization parameters, the error metric to measure the deviation between the two parameterization schemes lies within the AM laser-powder bed fusion (L-PBF) process tolerance. Additionally, comparison for subsequent objective function calculations between iterations of the optimization loop showed acceptable differences within 1% variation between the modified geometries obtained using the two parameterization schemes. This method provides justification for the use of multiphysics guided adjoint design sensitivities computed in CFD software to perform shape modifications in CAD to incorporate AM manufacturability constraints during the shape optimization loop such that optimal designs are also additively manufacturable.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS1995

Observation of local cloud and moisture feedbacks over high ocean and desert surface temperatures

New data on clouds and moisture, made possible by reanalysis of weather satellite observations, show that the atmosphere reacts to warm clusters of very high sea surface temperatures in the western Pacific Ocean with increased moisture, cloudiness, and convection, suggesting a negative feedback limiting the sea surface temperature rise. The reverse was observed over dry and hot deserts where both moisture and cloudiness decrease, suggesting a positive feedback perpetuating existing desert conditions. In addition, the observations show a common critical surface temperature for both oceans and land; the distribution of atmospheric moisture is observed to reach a maximum value when the daily surface temperatures approach 304 +/- 1 K. These observations reveal complex dynamic-radiative interactions where multiple processes act simultaneously at the surface as well as in the atmosphere to regulate the feedback processes.

Chahine, Moustafa T.↗
NASA NTRS2013

HERRO Mission to Mars Using Telerobotic Surface Exploration from Orbit

This paper presents a concept for a human mission to Mars orbit that features direct robotic exploration of the planet s surface via teleoperation from orbit. This mission is a good example of Human Exploration using Real-time Robotic Operations (HERRO), an exploration strategy that refrains from sending humans to the surfaces of planets with large gravity wells. HERRO avoids the need for complex and expensive man-rated lander/ascent vehicles and surface systems. Additionally, the humans are close enough to the surface to effectively eliminate the two-way communication latency that constrains typical robotic space missions, thus allowing real-time command and control of surface operations and experiments by the crew. Through use of state-of-the-art telecommunications and robotics, HERRO provides the cognitive and decision-making advantages of having humans at the site of study for only a fraction of the cost of conventional human surface missions. It is very similar to how oceanographers and oil companies use telerobotic submersibles to work in inaccessible areas of the ocean, and represents a more expedient, near-term step prior to landing humans on Mars and other large planetary bodies. Results suggest that a single HERRO mission with six crew members could achieve the same exploratory and scientific return as three conventional crewed missions to the Mars surface.

Oleson, Steven R.↗
DOE OSTI2024

Structural chemistry of penta- and hexanitrato thorium($\tiny{IV}$) complexes isolated using N–H donors

In this study, a series of fifteen tetravalent thorium phases were prepared. The compounds were isolated from acidic aqueous nitrate solutions using protonated nitrogen heterocycles of varying hydrogen-bond donation strength. Structural analysis via single crystal X-ray diffraction showed that the structures are built from pentanitrato, [Th(NO 3 ) 5 (H 2 O) 2 ] 1- , and hexanitrato, [Th(NO 3 ) 6 ] 2- , molecular units, with the latter being far more prevalent in the solid state. The vibrational properties of the compounds were examined using Raman and IR spectroscopy; the spectra are dominated by stretches characteristic of nitrate and the organic ions. The relative energetics of nitrate complexation was examined using electronic structure theory. These results confirmed that there are clear thermodynamic sinks for the penta- and hexanitrato structural units that were observed experimentally. Additionally, electrostatic surface potentials (ESPs) were calculated in an effort to better understand the counterion stabilization of the complexes. The ESP surfaces showed that the position of the water and nitrate molecules and the coordination geometry of the metal complex had a clear effect on the polarizability of the two structural motifs. Despite limited speciation of the Th–nitrate structural units, the compounds exhibit rich supramolecular chemistry resulting from hydrogen bonding of the Th complexes with the organic N–H donors and π–π stacking interactions from the protonated N-heterocycles.

36 MATERIALS SCIENCE↗