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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Ab Initio Dynamics of Graphene and Graphyne Electrodes in Vacuum and in the Presence of Electrolytes

Graphene and graphyne electrodes are both relevant for electrochemical energy storage applications due to their unique physical, chemical, and electronic properties. Graphyne has been considered even more attractive than graphene due to its larger specific surface area, greater electronic mobility, and intrinsic band gap. The analyses presented in this work reveal relevant features of graphyne in an interaction with an electrolyte that can be useful for practical applications. Although there is already a considerable volume of work on graphyne, the analysis of its properties taking into account the dynamics of its network and the interaction with the condensed medium has not yet been presented. Here, ab initio molecular dynamics simulations were performed to study the energetic, structural, spectroscopic, and electronic properties of graphene and graphyne electrodes in vacuum and in the presence of an electrolyte (EMIM-BF 4 ). A detailed analysis of the electrode–electrolyte interaction is reported for both systems. Structural features are presented in terms of both radial and spatial distribution functions and angular orientation distributions. Power spectral analyses and molecular orbital maps provided important insights into the intermolecular interactions in graphene and graphyne systems, describing the main differences as well as revealing similarities between them.

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

Noisy-Intermediate-Scale Quantum Electromagnetic Transients Program

Quantum-empowered electromagnetic transients program (QEMTP) is a promising paradigm for tackling EMTP's computational burdens. Nevertheless, no existing studies truly achieve a practical and scalable QEMTP operable on today's noisy-intermediate-scale quantum (NISQ) computers. The strong reliance on noise-free and fault-tolerant quantum devices--which appears to be decades away--hinder practical applications of current QEMTP methods. Here, we devise a NISQ-QEMTP methodology which for the first time transitions the QEMTP operations from ideal, noise-free quantum simulators to real, noisy quantum computers. The main contributions lie in: (1) a shallow-depth QEMTP quantum circuit for mitigating noises on NISQ quantum devices; (2) practical QEMTP linear solvers incorporating executable quantum state preparation and measurements for nodal voltage computations; (3) a noise-resilient QEMTP algorithm leveraging quantum resources logarithmically scaled with power system dimension; (4) a quantum shifted frequency analysis (QSFA) for accelerating QEMTP by exploiting dynamic phasor simulations with larger time steps; (5) a systematical analysis on QEMTPs performance under various noisy quantum environments. Extensive experiments systematically verify the accuracy, efficacy, universality and noise-resilience of QEMTP on both noise-free simulators and IBM real quantum computers.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Electrochemical Intercalation and Exfoliation of CrSBr into Ferromagnetic Fibers and Nanoribbons

Abstract Recent studies dedicated to layered van der Waals crystals have attracted significant attention to magnetic atomically thin crystals offering unprecedented opportunities for applications in innovative magnetoelectric, magneto‐optic, and spintronic devices. The active search for original platforms for the low‐dimensional magnetism study has emphasized the entirely new magnetic properties of two dimensional (2D) semiconductor CrSBr. Herein, for the first time, the electrochemical exfoliation of bulk CrSBr in a non‐aqueous environment is demonstrated. Notably, crystal cleavage governed by the structural anisotropy occurred along two directions forming atomically thin and few‐layered nanoribbons. The exfoliated material possesses an orthorhombic crystalline structure and strong optical anisotropy, showing the polarization dependencies of Raman signals. The antiferromagnetism exhibited by multilayered CrSBr gives precedence to ferromagnetic ordering in the revealed CrSBr nanostructures. Furthermore, the potential application of CrSBr nanoribbons is pioneered for electrochemical photodetector fabrication and demonstrates its responsivity up to 30 µA cm −2 in the visible spectrum. Moreover, the CrSBr‐based anode for lithium‐ion batteries exhibited high performance and self‐improving abilities. This anticipates that the results will pave the way toward the future study of CrSBr and practical applications in magneto‐ and optoelectronics.

Chemistry↗
NASA NTRS2007

Sequestration of Single-Walled Carbon Nanotubes in a Polymer

Sequestration of single-walled carbon nanotubes (SWCNs) in a suitably chosen polymer is under investigation as a means of promoting the dissolution of the nanotubes into epoxies. The purpose of this investigation is to make it possible to utilize SWCNs as the reinforcing fibers in strong, lightweight epoxy-matrix/carbon-fiber composite materials. SWCNs are especially attractive for use as reinforcing fibers because of their stiffness and strength-to-weight ratio: Their Young s modulus has been calculated to be 1.2 TPa, their strength has been calculated to be as much as 100 times that of steel, and their mass density is only one-sixth that of steel. Bare SWCNs cannot be incorporated directly into composite materials of the types envisioned because they are not soluble in epoxies. Heretofore, SWCNS have been rendered soluble by chemically attaching various molecular chains to them, but such chemical attachments compromise their structural integrity. In the method now under investigation, carbon nanotubes are sequestered in molecules of poly(m-phenylenevinylene-co-2,5-dioctyloxy-p-phenylenevinylene) [PmPV]. The strength of the carbon nanotubes is preserved because they are not chemically bonded to the PmPV. This method exploits the tendency of PmPV molecules to wrap themselves around carbon nanotubes: the wrapping occurs partly because there exists a favorable interface between the conjugated face of a nanotube and the conjugated backbone of the polymer and partly because of the helical molecular structure of PmPV. The constituents attached to the polymer backbones (the side chains) render the PmPV-wrapped carbon nanotubes PmPV soluble in organic materials that, in turn, could be used to suspend the carbon nanotubes in epoxy precursors. At present, this method is being optimized: The side chains on the currently available form of PmPV are very nonpolar and unable to react with the epoxy resins and/or hardeners; as a consequence, SWCN/PmPV composites have been observed to precipitate out of epoxies while the epoxies were being cured. If the side chains of the PmPV molecules were functionalized to make them capable of reacting with the epoxy matrices, it might be possible to make progress toward practical applications. By bonding the side chains of the PmPV molecules to an epoxy matrix, one would form an PmPV conduit between the epoxy matrix and the carbon nanotubes sequestered in the PmPV. This conduit would transfer stresses from the epoxy matrix to the nanotubes. This proposed load-transfer mode is similar to that of the current practice in which silane groups are chemically bonded to both the epoxy matrices and the fibers (often glass fibers) in epoxymatrix/fiber composites.

Bley, Richard A.↗
NASA NTRSDate not supplied

Geometric Acoustics for Aircraft Noise Scattering

This paper discusses aircraft noise scattering by geometric acoustics, which consists of the basic features of sound propagation and reflection in rays or ray tubes, diffraction by smooth geometry in terms of surface creeping waves, and diffraction by abrupt geometry features such as the wing trailing edges. Based on the classic theories of these features, prediction methodologies can be constructed for aircraft noise scattering. The methodologies, however, require important modifications and extensions to account for unique features in aircraft noise applications, for both current conventional aircraft and future unconventional designs. These modifications and extensions include the derivation of a general reflection coefficient that contains the effects of surface geometry curvature, surface impedance, and mean flow. Corrections to the basic formulation of diffraction, both smooth geometry and sharp edges, are formulated to account for the finite dimensions of practical applications. For smooth geometry diffraction, a second order correction is used to continuously transition from insolified to shadow zones and an approach is presented to compute the properties of the geodesic path of surface wave propagation. A model is developed to make use of the ray propagation formulation for incoherent and partially coherent propagation and scattering, which is an important phenomenon in aircraft noise. Mean flow effect is also included in the methodology for low Mach number flows. Examples of calculations based on these theoretical developments are presented to illustrate the unique features in aircraft noise applications.

Yueping Guo↗
NASA NTRS1990

Comparisons of one- and two- interface methods for tunnel wall interference calculation

Tunnel wall interference in two-dimensional subsonic flow can be analytically calculated on the basis of the one- or two-interface method. The application of numerical integration by means of matrix multiplication to both methods has been found to significantly reduce CPU time in on-line operation. An investigation of the sensitivity of these methods to random velocity-measurement disturbances shows the one-interface method to be less sensitive to measurement errors, and therefore to be preferable for practical applications.

Lo, C. F.↗
DOE OSTI2025

Biofoundries: Principles, Tools, and Applications

This chapter aims to provide a broad overview of biofoundries and introduces the principles, concepts, and case studies. We first outline the underlying principles of the Design-Build-Test-Learn (DBTL) framework and the role of automation, digital integration, and standardization. The chapter then explores core biofoundry technologies including robotic liquid handlers, high-throughput analytical instruments, and digital infrastructure for data management and workflow scheduling. Case studies spanning DNA assembly, protein engineering, metabolic engineering, and mammalian cell culture demonstrate the practical applications of the biofoundries. Economic and societal impacts are assessed alongside current limitations. We discuss the emerging trends including artificial intelligence integration and cloud-based distributed facilities to highlight its potential for biotechnology and the bioeconomy.

Singh, Nilmani↗
NASA NTRS1976

The theory and applications of ocean wave measuring systems at and below the sea surface, on the land, from aircraft, and from spacecraft

Methods for measuring and analyzing ocean waves are described, including those presently in use on spacecraft and planned for SEASAT-A. Potential difficulties with synthetic aperture systems for a spacecraft are described and an alternate design is suggested. The different methods can yield different kinds of spectra and other kinds of imagery. Ways to compare different kinds of data are given. The scientific and practical applications of data from spacecraft are given.

Pierson, W. J.↗
DOE OSTI2023

A Review of Biodegradable Plastics: Chemistry, Applications, Properties, and Future Research Needs

Environmental concerns over waste plastics’ effect on the environment are leading to the creation of biodegradable plastics. Biodegradable plastics may serve as a promising approach to manage the issue of environmental accumulation of plastic waste in the ocean and soil. Biodegradable plastics are the type of polymers that can be degraded by microorganisms into small molecules (e.g., H 2 O, CO 2 , and CH 4 ). However, there are misconceptions surrounding biodegradable plastics. For example, the term “biodegradable” on product labeling can be misconstrued by the public to imply that the product will degrade under any environmental conditions. Such misleading information leads to consumer encouragement of excessive consumption of certain goods and increased littering of products labeled as “biodegradable”. Here this review not only provides a comprehensive overview of the state-of-the-art biodegradable plastics but also clarifies the definitions and various terms associated with biodegradable plastics, including oxo-degradable plastics, enzyme-mediated plastics, and biodegradation agents. Analytical techniques and standard test methods to evaluate the biodegradability of polymeric materials in alignment with international standards are summarized. The review summarizes the properties and industrial applications of previously developed biodegradable plastics and then discusses how biomass-derived monomers can create new types of biodegradable polymers by utilizing their unique chemical properties from oxygen-containing functional groups. The terminology and methodologies covered in the paper provide a perspective on directions for the design of new biodegradable polymers that possess not only advanced performance for practical applications but also environmental benefits.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1988

Convergence acceleration for vector sequences and applications to computational fluid dynamics

Some recent developments in acceleration of convergence methods for vector sequences are reviewed. The methods considered are the minimal polynomial extrapolation, the reduced rank extrapolation, and the modified minimal polynomial extrapolation. The vector sequences to be accelerated are those that are obtained from the iterative solution of linear or nonlinear systems of equations. The convergence and stability properties of these methods as well as different ways of numerical implementation are discussed in detail. Based on the convergence and stability results, strategies that are useful in practical applications are suggested. Two applications to computational fluid mechanics involving the three dimensional Euler equations for ducted and external flows are considered. The numerical results demonstrate the usefulness of the methods in accelerating the convergence of the time marching techniques in the solution of steady state problems.

Sidi, Avram↗
NASA NTRS1990

Convergence acceleration for vector sequences and applications to computational fluid dynamics

Some recent developments in acceleration of convergence methods for vector sequences are reviewed. The methods considered are the minimal polynomial extrapolation, the reduced rank extrapolation, and the modified minimal polynomial extrapolation. The vector sequences to be accelerated are those that are obtained from the iterative solution of linear or nonlinear systems of equations. The convergence and stability properties of these methods as well as different ways of numerical implementation are discussed in detail. Based on the convergence and stability results, strategies that are useful in practical applications are suggested. Two applications to computational fluid mechanics involving the three dimensional Euler equations for ducted and external flows are considered. The numerical results demonstrate the usefulness of the methods in accelerating the convergence of the time marching techniques in the solution of steady state problems.

Sidi, Avram↗
DOE OSTI2020

SERS and the scientific career of Richard P. Van Duyne (1945–2019)

This article describes the scientific career of our dear friend Richard P. Van Duyne. Rick was the discoverer of surface-enhanced Raman spectroscopy (SERS), and over the period from the mid-1970s until his death in 2019, he served as both the intellectual leader of the field, and the technical genius who pushed the field forward through his numerous inventions and discoveries. Rick's work went through many phases, and even involved a significant period of inactivity that Rick was able to break out of, but especially after 2000, there was a period of incredible creativity that ultimately led to a detailed understanding of what the SERS enhancement factor is all about and also led to fabrication techniques for making optimum SERS substrates such that applications of SERS to a wide variety of real-world problems in sensing became possible. In addition, Rick's SERS work spawned numerous related technologies, including index of refraction sensing based on localized surface plasmon resonance (LSPR) measurements, and the extension of SERS to its tip-enhanced cousin TERS, to electrochemical versions of SERS and TERS, and to ultrafast nonlinear techniques. The practical applications he pursued included diagnostics for diseases such as cancer, hand-held glucose sensing, and SERS studies related to art conservation. Furthermore, Rick's legacy will probably be best known through the numerous students, postdocs, and collaborators that passed through his lab and who are now active researchers in areas related to SERS at universities and industrial labs around the world.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

LipidOz enables automated elucidation of lipid carbon–carbon double bond positions from ozone-induced dissociation mass spectrometry data

Lipids play essential roles in many biological processes and disease pathology, but unambiguous identification of lipids is complicated by the presence of multiple isomeric species differing by fatty acyl chain length, stereospecifically numbered (sn) position, and position/stereochemistry of double bonds. Conventional liquid chromatography-mass spectrometry (LC-MS/MS) analyses enable the determination of fatty acyl chain lengths (and in some cases sn position) and number of double bonds, but not carbon-carbon double bond positions. Ozone-induced dissociation (OzID) is a gas-phase oxidation reaction that produces characteristic fragments from lipids containing double bonds. OzID can be incorporated into ion mobility spectrometry (IMS)-MS instruments for the structural characterization of lipids, including additional isomer separation and confident assignment of double bond positions. The complexity and repetitive nature of OzID data analysis and lack of software tool support have limited the application of OzID for routine lipidomics studies. Here, we present an open-source Python tool, LipidOz, for the automated determination of lipid double bond positions from OzID-IMS-MS data, which employs a combination of traditional automation and deep learning approaches. Our results demonstrate the ability of LipidOz to robustly assign double bond positions for lipid standard mixtures and complex lipid extracts, enabling practical application of OzID for future lipidomics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

New Method Developed To Purify Single Wall Carbon Nanotubes for Aerospace Applications

Single wall carbon nanotubes have attracted considerable attention because of their remarkable mechanical properties and electrical and thermal conductivities. Use of these materials as primary or secondary reinforcements in polymers or ceramics could lead to new materials with significantly enhanced mechanical strength and electrical and thermal conductivity. Use of carbon-nanotube-reinforced materials in aerospace components will enable substantial reductions in component weight and improvements in durability and safety. Potential applications for single wall carbon nanotubes include lightweight components for vehicle structures and propulsion systems, fuel cell components (bipolar plates and electrodes) and battery electrodes, and ultra-lightweight materials for use in solar sails. A major barrier to the successful use of carbon nanotubes in these components is the need for methods to economically produce pure carbon nanotubes in large enough quantities to not only evaluate their suitability for certain applications but also produce actual components. Most carbon nanotube synthesis methods, including the HiPCO (high pressure carbon monoxide) method developed by Smalley and others, employ metal catalysts that remain trapped in the final product. These catalyst impurities can affect nanotube properties and accelerate their decomposition. The development of techniques to remove most, if not all, of these impurities is essential to their successful use in practical applications. A new method has been developed at the NASA Glenn Research Center to purify gram-scale quantities of single wall carbon nanotubes. This method, a modification of a gas phase purification technique previously reported by Smalley and others, uses a combination of high-temperature oxidations and repeated extractions with nitric and hydrochloric acid. This improved procedure significantly reduces the amount of impurities (catalyst and nonnanotube forms of carbon) within the nanotubes, increasing their stability significantly. The onset of decomposition of the purified nanotubes (determined by thermal gravimetric analysis in air) is more than 300 C higher than that of the crude nanotubes. Transmission electron microscopy analysis of nanotubes purified by this method reveals near complete removal of iron catalyst particles. Analysis of the nanotubes using inductively coupled plasma spectroscopy revealed that the iron content of the nanotubes was reduced from 22.7 wt% in the crude nanotubes to less than 0.02 wt%. X-ray photoelectron spectroscopy revealed a decrease in iron content after purification as well as an increase in oxygen content due to the formation of carboxylic acid groups on the surface of the nanotubes. Nanotubes purified by this improved method can be readily dispersed in common organic solvents, in particular N,N-dimethylformamide, using prolonged ultrasonic treatment. These dispersions can then be used to incorporate single wall carbon nanotubes into polymer films.

Lebron, Marisabel↗
NASA NTRS1991

Probabilistic structural mechanics research for parallel processing computers

Aerospace structures and spacecraft are a complex assemblage of structural components that are subjected to a variety of complex, cyclic, and transient loading conditions. Significant modeling uncertainties are present in these structures, in addition to the inherent randomness of material properties and loads. To properly account for these uncertainties in evaluating and assessing the reliability of these components and structures, probabilistic structural mechanics (PSM) procedures must be used. Much research has focused on basic theory development and the development of approximate analytic solution methods in random vibrations and structural reliability. Practical application of PSM methods was hampered by their computationally intense nature. Solution of PSM problems requires repeated analyses of structures that are often large, and exhibit nonlinear and/or dynamic response behavior. These methods are all inherently parallel and ideally suited to implementation on parallel processing computers. New hardware architectures and innovative control software and solution methodologies are needed to make solution of large scale PSM problems practical.

Sues, Robert H.↗
NASA NTRS2013

Mars Sample Return Using Commercial Capabilities: Mission Architecture Overview

Mars Sample Return (MSR) is the highest priority science mission for the next decade as recommended by the recent Decadal Survey of Planetary Science. This paper presents an overview of a feasibility study for a MSR mission. The objective of the study was to determine whether emerging commercial capabilities can be used to reduce the number of mission systems and launches required to return the samples, with the goal of reducing mission cost. The major element required for the MSR mission are described and include an integration of the emerging commercial capabilities with small spacecraft design techniques; new utilizations of traditional aerospace technologies; and recent technological developments. We report the feasibility of a complete and closed MSR mission design using the following scenario that covers three synodic launch opportunities, beginning with the 2022 opportunity: A Falcon Heavy injects a SpaceX Red Dragon capsule and trunk onto a Trans Mars Injection (TMI) trajectory. The capsule is modified to carry all the hardware needed to return samples collected on Mars including a Mars Ascent Vehicle (MAV); an Earth Return Vehicle (ERV); and hardware to transfer a sample collected in a previously landed rover mission to the ERV. The Red Dragon descends to land on the surface of Mars using Supersonic Retro Propulsion (SRP). After previously collected samples are transferred to the ERV, the single-stage MAV launches the ERV from the surface of Mars to a Mars phasing orbit. The MAV uses a storable liquid, pump fed bi-propellant propulsion system. After a brief phasing period, the ERV, which also uses a storable bi-propellant system, performs a Trans Earth Injection (TEI) burn. Once near Earth the ERV performs Earth and lunar swing-bys and is placed into a Lunar Trailing Orbit (LTO0 - an Earth orbit, at lunar distance. A later mission, using a Dragon and launched by a Falcon Heavy, performs a rendezvous with the ERV in the lunar trailing orbit, retrieves the sample container and breaks the chain of contact with Mars by transferring the sample into a sterile and secure container. With the sample contained, the retrieving spacecraft, makes a controlled Earth re-entry preventing any unintended release of pristine Martian materials into the Earth's biosphere. Other capsule type vehicles and associated launchers may be applicable. The analysis methods employed standard and specialized aerospace engineering tools. Mission system elements were analyzed with either direct techniques or by using parametric mass estimating relationships (MERs). The architecture was iterated until overall mission convergence was achieved on at least one path. Subsystems analyzed in this study include support structures, power system, nose fairing, thermal insulation, actuation devices, MAV exhaust venting, and GN&C. Best practice application of loads, mass growth contingencies, and resource margins were used. For Falcon Heavy capabilities and Dragon subsystems we utilized publically available data from SpaceX; published analyses from other sources; as well as our own engineering and aerodynamic estimates. Earth Launch mass is under 11 mt, which is within the estimated capability of a Falcon Heavy, with margin. Total entry masses between 7 and 10 mt were considered with closure occurring between 9 and 10 mt. Propellant mass fractions for each major phase of the EDL - Entry, Terminal Descent, and Hazard Avoidance - have been derived. An assessment of the entry conditions on the thermal protection system (TPS), currently in use for Dragon missions, has been made. And shows no significant stressors. A useful mass of 2.0 mt is provided and includes mass growth allowances for the MAV, the ERV, and mission unique equipment. We also report on alternate propellant options for the MAV and options for the ERV, including propulsion systems; crewed versus robotic retrieval mission; as well as direct Earth entry. International Planetary Protection Policies as well as verifiable means of compliance will have a large impact on any MSR mission design. We identify areas within our architecture where such impacts occur. This work shows that emerging commercial capabilities can be used to effectively integrated into a mission to achieve an important planetary science objective.

Mars Sample Return↗
DOE OSTI2025

Online thermal profile prediction for large format additive manufacturing: A hybrid CNN-LSTM based approach

Large format additive manufacturing (LFAM) is an advanced 3D printing technique that efficiently fabricates large-scale components through a layer-by-layer extrusion and deposition process. Accurate surface layer temperature monitoring is essential to prevent manufacturing failures and ensure final product quality. Traditional physics-based offline approaches for simulating thermal behavior are often inefficient and complex, posing challenges on real-time, in-situ monitoring. Here, to address this, we propose a data-driven hybrid CNN-LSTM model to predict sequential thermal images of arbitrary length using real-time infrared thermal imaging. In this approach, a Convolutional Neural Networks (CNN) is trained offline to capture spatial features, reduce dimensional complexity, and enhance time efficiency, while a stacked Long Short-Term Memory (LSTM) is applied online to capture temporal information for improved prediction of future thermal behavior in subsequent printing layers. Model performance is evaluated using MSE, SSIM, and PSNR metrics and is benchmarked against stacked LSTM and convolutional LSTM models, demonstrating superior accuracy and applicability. Additionally, to mitigate noise from moving extruders and gantry backgrounds in thermal images, a fine-tuned semantic segmentation model is implemented offline to extract printing geometry, enabling precise temperature tracking along the tool path for further thermal analysis. The frameworks developed in this study significantly advance temperature monitoring, thermal analysis, and in-situ manufacturing control for LFAM, bridging the gap between theoretical modeling and practical application.

Geometry extraction↗
NASA NTRS1991

Estimation variance bounds of importance sampling simulations in digital communication systems

In practical applications of importance sampling (IS) simulation, two basic problems are encountered, that of determining the estimation variance and that of evaluating the proper IS parameters needed in the simulations. The authors derive new upper and lower bounds on the estimation variance which are applicable to IS techniques. The upper bound is simple to evaluate and may be minimized by the proper selection of the IS parameter. Thus, lower and upper bounds on the improvement ratio of various IS techniques relative to the direct Monte Carlo simulation are also available. These bounds are shown to be useful and computationally simple to obtain. Based on the proposed technique, one can readily find practical suboptimum IS parameters. Numerical results indicate that these bounding techniques are useful for IS simulations of linear and nonlinear communication systems with intersymbol interference in which bit error rate and IS estimation variances cannot be obtained readily using prior techniques.

Lu, D.↗