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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

Interrelationship of Nondestructive Evaluation Methodologies Applied to Testing of Composite Overwrapped Pressure Vessels

Composite Overwrapped Pressure Vessels (COPVs) are commonly used in spacecraft for containment of pressurized gases and fluids, incorporating strength and weight savings. The energy stored is capable of extensive spacecraft damage and personal injury in the event of sudden failure. These apparently simple structures, composed of a metallic media impermeable liner and fiber/resin composite overwrap are really complex structures with numerous material and structural phenomena interacting during pressurized use which requires multiple, interrelated monitoring methodologies to monitor and understand subtle changes critical to safe use. Testing of COPVs at NASA Johnson Space Center White Sands T est Facility (WSTF) has employed multiple in-situ, real-time nondestructive evaluation (NDE) methodologies as well as pre- and post-test comparative techniques to monitor changes in material and structural parameters during advanced pressurized testing. The use of NDE methodologies and their relationship to monitoring changes is discussed based on testing of real-world spacecraft COPVs. Lessons learned are used to present recommendations for use in testing, as well as a discussion of potential applications to vessel health monitoring in future applications.

Leifeste, Mark R.↗
NASA NTRS2004

Waste-Heat-Driven Cooling Using Complex Compound Sorbents

Improved complex-compound sorption pumps are undergoing development for use as prime movers in heat-pump systems for cooling and dehumidification of habitats for humans on the Moon and for residential and commercial cooling on Earth. Among the advantages of sorption heat-pump systems are that they contain no moving parts except for check valves and they can be driven by heat from diverse sources: examples include waste heat from generation of electric power, solar heat, or heat from combustion of natural gas. The use of complex compound sorbents in cooling cycles is not new in itself: Marketing of residential refrigerators using SrCl2 was attempted in the 1920s and 30s and was abandoned because heat- and mass-transfer rates of the sorbents were too low. Addressing the issue that gave rise to the prior abandonment of complex compound sorption heat pumps, the primary accomplishment of the present development program thus far has been the characterization of many candidate sorption media, leading to large increases in achievable heat- and mass-transfer rates. In particular, two complex compounds (called "CC260-1260" and "CC260-2000") were found to be capable of functioning over the temperature range of interest for the lunar-habitat application and to offer heat- and mass-transfer rates and a temperature-lift capability adequate for that application. Regarding the temperature range: A heat pump based on either of these compounds is capable of providing a 95-K lift from a habitable temperature to a heat-rejection (radiator) temperature when driven by waste heat at an input temperature .500 K. Regarding the heat- and mass-transfer rates or, more precisely, the power densities made possible by these rates: Power densities observed in tests were 0.3 kilowatt of cooling per kilogram of sorbent and 2 kilowatts of heating per kilogram of sorbent. A prototype 1-kilowatt heat pump based on CC260-2000 has been built and demonstrated to function successfully.

Rocketfeller, Uwe↗
DOE OSTI2025

Systematic improvement of redox potential calculation of Fe(III)/Fe(II) complexes using a three-layer micro-solvation model

Electrochemical transformations of metal ions in aqueous media are challenging to model accurately due to the dynamic solvation structure surrounding ions at different charge states. Predictive modeling at the atomistic scale is essential for understanding these solvation architectures but is often computationally prohibitive. In this contribution, we present a simple, fast, and accurate three-layer micro-solvation model to evaluate the redox potential of metal ions in aqueous solutions. Our model, developed and validated for Fe 3+ /Fe 2+ redox potentials, combines the DFT-based geometry optimizations of the octahedral Fe complex with two layers of explicit water molecules to capture solute–solvent interactions and an implicit solvation model to account for bulk solvent effects. This approach yields accurate predictions for Fe 3+ /Fe 2+ redox potentials in water, achieving errors of 0.02 V with ωB97X-V, 0.01 V with ωB97X-D3, 0.04 V with ωB97M-V, and 0.02 V with B3LYP-D3 functionals. We further demonstrate the generality of our model by applying it to additional metal complexes, including the challenging Fe(CN) 6 3−/4− system, where our model successfully achieves close agreement with experimental values, with an error of 0.07 V and an average error of 0.21 V for all five systems. In summary, the presented simple solvation model has broad applicability and potential for enhancing computational efficiency in redox potential predictions across various chemical and industrial processes of metal ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Probing the influence of ion-pairing on ligand-field excited-state dynamics

Exploration of the photophysical and photochemical properties of transition metal complexes has driven ground-breaking advancements in solar energy conversion technologies, including photoredox catalysis. While significant research has been devoted to understanding excited state properties of second- and third-row transition metal complexes, earth-abundant first-row metal complexes have received comparatively little attention in this context until very recently. In particular, the role of ion-pairing – which has been identified as a potentially significant factor for Ir(III)-based photosensitizers – has not been examined with regard to its influence on the ligand-field excited states that dominate much of first-row photophysics. A key challenge in studying ion-pair interactions lies in quantifying the extent and nature of ion-pairing, particularly in non-aqueous media where the vast majority of photophysical studies are performed. Cobalt(III) polypyridyl complexes provide an attractive platform to address such questions due to their demonstrated potential for applications in photoredox catalysis involving ligand-field excited states. In the present study, we prepared a cobalt(III) polypyridyl complex, [Co(4,4′-OMebpy) 3 ](BAr F 4 ) 3 (where 4,4′-OMebpy is 4,4′-dimethoxy-2,2′-bipyridine and BAr F 4 is tetrakis(3,5-bis(trifluoromethyl)-phenyl)borate) to probe ion-pairing in non-aqueous solutions. Specifically, analysis of data acquired from both variable-temperature diffusion ordered spectroscopy (DOSY) NMR and 1-D rotating-frame nuclear Overhauser effect (ROE) experiments allowed us to identify and differentiate between solvent-separated ion pairs in high-dielectric media and contact ion pairs in a low-dielectric solvent. Time-resolved absorption spectroscopy was then used to measure ground-state recovery dynamics under these varying conditions of ion-pairing, the results of which revealed an increase in excited-state lifetime for contact ion-pairs that we suggest arises from a reduction in outer-sphere reorganization energy relative to conditions which favored solvent-separated ion pairs. We believe this study demonstrates that one can leverage broadly available NMR-based methods to understand ion-pairing in non-aqueous solutions, which in turn can provide a microscopic picture of intermolecular interactions that can impact the photophysical properties of transition metal-based chromophores.

Ghosh, Atanu [Michigan State University, East Lans↗
NASA NTRS1987

Exact image method for Gaussian beam problems involving a planar interface

Exact image method, recently introduced for the solution of electromagnetic field problems involving sources above a planar interface or two homogeneous media, is shown to be valid also for sources located in complex space, which makes its application possible for Gaussian beam analysis. It is demonstrated that the Goos-Hanchen shift and the angular shift of a TE polarized beam are correctly given as asymptotic results by the exact reflection image theory. Also, the apparent image location giving the correct Gaussian beam transmitted through the interface is obtained as another asymptotic check. The present theory makes it possible to calculate the exact coupling from the Gaussian beam to the reflected and refracted beams, as well as to the surface wave.

Lindell, I. V.↗
NASA NTRS1987

Exact-image method for Gaussian-beam problems involving a planar interface

The exact-image method, recently introduced for the solution of electromagnetic field problems involving sources above a planar interface between two homogeneous media, is shown to be valid also for sources located in complex space, which makes its application possible for Gaussian-beam analysis. It is demonstrated that the Goos-Hanchen shift and the angular shift of a TE-polarized beam are correctly given as asymptotic results by the exact-reflection-image theory. Also, the apparent-image location giving the correct Gaussian beam transmitted through the interface is obtained as another asymptotic check. The theory described here makes it possible to calculate the exact coupling from the Gaussian beam to the reflected and refracted beams as well as to the surface wave.

Lindell, Ismo V.↗
DOE OSTI2024

Investigating Soil Organic Matter Complexation using Spectral Induced Polarization

Spectral induced polarization (SIP) laboratory experiments were conducted to determine the sensitivity of this method to the formation of soil organic matter (SOM) complexes, with a long-term goal of field-scale monitoring. There are few SIP experiments that have explored this topic, yet understanding the dynamic behavior and interactions of SOM at the field scale could provide insight into soil fertility and health which influences crop yields, microorganisms that degrade organic pollutants, and carbon stabilization. We present the results of three experiments where the iron oxide, ferrihydrite (Fhy), was used to coat different media, and then the OM compound pentaglycine (PG) was pulse injected to form SOM complexes. SIP data was collected during these injections to capture any surface complexation changes. These experiments were performed in 1) a fluidic cell containing a micromodel, 2) a column containing Fhy coated ceramic beads and 3) a column containing Fhy coated Accusand®. Our results show a higher frequency response (defined here as > 1 Hz) in all three experiments, with the largest amplitude response after the first PG injection (Figure S.1). The repeatability of this response is encouraging and supporting data collected on the Accusand® experiment provides preliminary insight into the mechanisms controlling the SIP signatures. Sampling of fluid conductivity $σ_w$ and pH may indicate deprotonation of SOM occurring or rapid adsorption and release of protons from the Fhy sites. However additional experiments are needed to identify and confirm the primary and secondary reactions impacting the SIP response. We are looking towards other opportunities to continue this work, particularly to repeat experiments while collecting supporting datasets.

58 GEOSCIENCES↗
NASA NTRS1985

Parametric study of stress-intensity factors in bonded composite stringer panels

Stress-intensity factors are determined for an infinite cracked orthotropic sheet adhesively bonded to an orthotropic stringer. Since the stringer is modeled as a semi-infinite sheet, the solution is most appropriate for a crack tip located near a stringer edge. Both adherends are treated as homogeneous, orthotropic media which are representative of many fiber-reinforced composite materials. The complex variable theory of elasticity was used to obtain a set of integral equations describing the problem. The integral equations are replaced by an equivalent sheet of algebraic equations, which are solved to obtain the shear stress distribution in the adhesive layer. From these adhesive stresses, the stress-intensity factors are found. A parametric study is conducted to determine the sensitivity of the system to material properties and specimen configuration. Unless the crack tip is very close to or under the stringer, the stress-intensity factor is approximately that of the unstiffened sheet. However, as the crack propagates beneath the stringer, the stress-intensity factor decreases significantly. Increasing the stringer stiffness or the adhesive stiffness also decreases the stress-intensity factor.

Bigelow, C. A.↗
NASA NTRS2015

Simulation Apps Bring Us Closer to Mars

My work with mathematical modeling and computer simulations began in earnest in 1987 when I signed on with the National Aeronautics and Space Administration, better known as NASA. At the time I was developing computer simulations to support the design of carbon dioxide (CO2) removal systems for the International Space Station (ISS) life support system. CO2 is a human metabolic waste, produced at a rate of a kilogram per day per crewmember. CO2 must be removed from the crew cabin, as it will quickly become detrimental to crew health. The systems used to remove CO2 are typically based on sorption processes, which include complex interactions of heat transfer, mass transfer, and gas flow through porous media. At this time, there were no commercial options for solving a set of coupled mathematical models such as partial differential equations (PDEs); you either force-fit the physics into a thermal analysis package or wrote your own code, complete with discretization, meshing, and solution algorithms. Unfortunately, coding CO2 removal processes from scratch did not allow an appropriate focus on the challenging yet crucial task of understanding and capturing the underlying physics via appropriate mathematical models. Configuration control was often simply ignored due to tight schedules, resulting in a code that would be quicker for a second party to rewrite than modify. In the early 2000s, I decided to move CO2 removal simulations to a platform with built-in meshing, solvers, and postprocessing capabilities, and that could solve user-defined multiphysics PDEs. The program chosen to meet these needs was COMSOL Multiphysics®. Along with freeing the engineer to focus on the underlying physics, a degree of configuration control was automatically achieved via a consistent user interface, thus allowing COMSOL users to share computer models. My team has developed simulations that are already providing a valuable debugging capability for the ISS CO2 removal system, and will provide guidance in upgrades to that system.

Knox, Jim↗
NASA NTRS1979

Diffusion approximation for large absorption in radiative transfer

A new diffusion model is developed for radiative transfer in particulate media. It includes the effects of higher Legendre moments while avoiding the mathematical complexities of solving multiple coupled differential moment equations and satisfying higher-order boundary conditions. The method accurately extrapolates the conventional Eddington approximation to problems involving large absorption. Although the simplifying assumptions limit the model to nonbeam incidence and spatial homogeneity of the scattering material, they are nonrestrictive with regard to the size and shape of the medium, the character of background reflections, and the type of phase function.

Meador, W. E.↗
NASA NTRS1988

An intelligent multi-media human-computer dialogue system

Sophisticated computer systems are being developed to assist in the human decision-making process for very complex tasks performed under stressful conditions. The human-computer interface is a critical factor in these systems. The human-computer interface should be simple and natural to use, require a minimal learning period, assist the user in accomplishing his task(s) with a minimum of distraction, present output in a form that best conveys information to the user, and reduce cognitive load for the user. In pursuit of this ideal, the Intelligent Multi-Media Interfaces project is devoted to the development of interface technology that integrates speech, natural language text, graphics, and pointing gestures for human-computer dialogues. The objective of the project is to develop interface technology that uses the media/modalities intelligently in a flexible, context-sensitive, and highly integrated manner modelled after the manner in which humans converse in simultaneous coordinated multiple modalities. As part of the project, a knowledge-based interface system, called CUBRICON (CUBRC Intelligent CONversationalist) is being developed as a research prototype. The application domain being used to drive the research is that of military tactical air control.

Neal, J. G.↗
NASA NTRS1973

Evaluations of lunar samples for the presence of viable organisms

Samples from the six successful Apollo lunar exploration missions were examined for the presence of biological formed elements and were used to inoculate a variety of culture media designed to promote growth of a broad spectrum of microorganisms. No evidence of viable organisms was obtained from any of these analyses. Following incubation of the lunar material-culture medium complexes, microbial growth dynamics studies were conducted with known test species to evaluate the possible presence of toxic factors. Only extracts of culture media which had been in contact with a mixture of lunar material from both Apollo 11 core tubes proved to be toxic to all species tested. Attempts to reproduce this toxic effect with individual Apollo 11 core samples obtained at other parts of the core and analyzed under somewhat different conditions were unsuccessful. In all, 48 different lunar samples were examined. These samples were collected at the lunar surface, in trenches, and in core samples to a depth of 297 cm.

Taylor, G. R.↗
DOE OSTI2026

AnisONet: A deep neural operator-based anisotropic permeability upscaler from pore to Darcy scale

Directional permeability variations, which govern directional fluid flow in porous media with anisotropy, are important to accurately predict flow behavior, reactive transport, and fluid–solid interactions for various processes such as enhanced geothermal systems, energy storage devices, and biological systems. However, the intricate architecture of porous media makes it difficult to predict directional permeabilities. In this work, we present a novel machine learning (ML) framework, AnisONet, built upon an integration of a convolutional neural network, Swin transformer, and the deep operator network architecture, designed to predict anisotropic permeability and upscale predictions to larger spatial domains. First, AnisONet was evaluated with three classes of two-dimensional (2D) porous media, including synthetic circular and elliptical grains and natural sandstone grains from micro-computed tomography images. A lattice Boltzmann model (LBM) was used to calculate directional permeabilities at every 10° angle, producing 19 data points per image of porous media. AnisONet is then trained to predict permeability as a function of rotation angle. AnisONet showed strong predictive capability of directional permeability. Second, we tested our model for five upscaling cases with a large image size in the finite-element method (FEM) for 2D Darcy flow with various permeability tensor construction methods. Overall, upscaled permeability tensors in FEM simulations produce a reasonably good match with LBM results, highlighting the importance of selecting appropriate tensor formation strategies for accurate permeability upscaling. AnisONet, as a directional permeability estimator, could be further developed for more complex geometries, with the potential to develop a foundational ML model for various applications in porous media.

42 ENGINEERING↗
DOE OSTI2025

Unveiling the covalency of versatile Pu(iii)-N bonds in a unique plutonium(iii) complex

A trivalent plutonium–pyrazinyl–tetrazolate complex Na 2 [Pu(Hdtp)(dtp) 2 (H 2 O) 4 ]·9H 2 O (Pu_dtp, H 2 dtp = 2,3-di-1H-tetrazol-5-ylpyrazine) was synthesized through metathesis reaction of plutonium bromide and Na 2 (dtp)·2H 2 O in water. This structure is particularly notable among complexes formed by trivalent f-elements and the dtp 2− ligand in aqueous media. In contrast to other trivalent f-elements, including all Ln 3+ (with the exception of Pm 3+ ) and Cm 3+ , preferentially coordinated with eight water molecules rather than the nitrogen donors of the dtp 2− ligand, Pu 3+ exhibits a distinct affinity for nitrogen coordination. This observation provides strong evidence that the 5f electrons in Pu 3+ are more delocalized than other studied trivalent f-elements. In Pu_dtp, three distinct Pu(III)–N bonds are present: one Pu(III)–N5 from pyrazinyl, one Pu(III)–N4 from the least electronegative nitrogen in the tetrazolate, and three Pu(III)–N1/N2/N3 from the most electronegative nitrogens in the tetrazolate. Experimental Pu(III)–N bond lengths, Wiberg bond indices (WBI), natural localized molecular orbitals (NLMO), quantum theory of atoms in molecules (QTAIM), and energy decomposition analysis (EDA), reveal a covalency trend: Pu(III)–N from the most electronegative nitrogen in tetrazolate > Pu(III)–N from the least electronegative nitrogen in tetrazolate > Pu(III)–N from pyrazinyl. This trend arises from the increased negative charge on the most electronegative nitrogen atoms in the tetrazolate ring, enhancing electrostatic Pu–N1/N2/N3 interactions. These stronger electrostatic interactions lead to shorter bond lengths, thereby enhancing orbital overlap and greater covalency, compared to the less electronegative nitrogen in tetrazolate (Pu–N4) and the neutral pyrazinyl nitrogen (Pu–N5).

Bai, Zhuanling [Colorado School of Mines, Golden, ↗
DOE OSTI2024

Macroscopic modeling of gas permeability in hierarchical micro/nanoporous media: A unified characterization of rarefaction using Klinkenberg theory and equivalent diameter

Estimating gas transport through a hierarchical micro/nanoporous system is challenging due to non-equilibrium gas dynamics. The primary difficulty lies in determining the rarefaction level, because identifying a representative flow dimension in a complex porous system with multiple pore scales is not straightforward. Our study performed a pore-level analysis for gas permeability in dual-scale porous media with varying porosity, throat size, and secondary pore size under different rarefaction conditions. We found that secondary porosity negatively affects permeability due to increased friction forces, with this influence growing as the secondary pore size and porosity increase until the secondary pore becomes comparable to the throat. However, rarefaction reduces the effects of secondary pores due to boundary slip. Traditional Knudsen number (Kn) calculations based on Darcy-defined height failed to accurately describe the rarefaction effects on gas permeability. Instead, we introduced an equivalent diameter to calculate the Kn, which provided an accurate normalization of apparent gas permeability independent of pore geometry. Furthermore, the extended Kozeny–Carman–Klinkenberg model developed in our previous study successfully yielded a macroscopic model for apparent gas permeability in hierarchical micro/nanoporous systems as a function of the traditional Darcy height and porosity.

04 OIL SHALES AND TAR SANDS↗
NASA NTRS1993

The Third NASA Goddard Conference on Mass Storage Systems and Technologies

This report contains copies of nearly all of the technical papers and viewgraphs presented at the Goddard Conference on Mass Storage Systems and Technologies held in October 1993. The conference served as an informational exchange forum for topics primarily relating to the ingestion and management of massive amounts of data and the attendant problems involved. Discussion topics include the necessary use of computers in the solution of today's infinitely complex problems, the need for greatly increased storage densities in both optical and magnetic recording media, currently popular storage media and magnetic media storage risk factors, data archiving standards including a talk on the current status of the IEEE Storage Systems Reference Model (RM). Additional topics addressed System performance, data storage system concepts, communications technologies, data distribution systems, data compression, and error detection and correction.

Kobler, Benjamin↗
NASA NTRS1992

Frequency-dependent FDTD methods using Z transforms

While the frequency-dependent finite-difference time-domain, or (FD)2TD, method can correctly calculate EM propagation through media whose dielectric properties are frequency-dependent, more elaborate applications lead to greater (FD)2TD complexity. Z-transform theory is presently used to develop the mathematical bases of the (FD)2TD method, simultaneously obtaining a clearer formulation and allowing researchers to draw on the existing literature of systems analysis and signal-processing.

Sullivan, Dennis M.↗
NASA NTRS2000

Helical scan recording with a self-acting negative air bearing

A flat head and a tape transport arrangement impart a wrap angle to the tape at the upstream corner of the head. The wrap angle, corner sharpness and tape stiffness are sufficient to cause a moving tape to form a hollow bump at the upstream corner, thereby creating a hollow into which entrained air can expand, causing a subambient pressure within and downstream of the bump. This pressure keeps the tape in contact with the head. It is created without the need for a groove or complex pressure relief slot(s). No contact pressure arises at the signal exchange site due to media wrap. The highest contact pressures are developed at a wrapped upstream corner. For a tape drive, traveling in both forward and reverse, the wrap can be at both the upstream and downstream (which is the reverse upstream) corners. Heads that are not flat can also be used, if the wrap angle relative to a main surface is sufficient and not too large. The wrapped head can also be used with rotating media, such as disks (floppy and hard) and rotating heads, such as helical wound heads for video recording. Multiple flat tape bearing surfaces can be separated by grooves and/or angles. Each flat can carry heads along one or more gap lines. Multiple adjacent narrow tracks can thus be written for extreme high track density recording.

Muftu , Sinan↗