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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Perspective on Many-Body Methods for Molecular Polaritonic Systems

Recent advances in strong light–matter interactions have revealed a wealth of new physical phenomena in molecules embedded in optical cavities, including modified chemical reactivity, altered excitation spectra, and novel quantum correlations. To describe these effects from first-principles, the field of ab initio quantum electrodynamics (QED) has emerged as a compelling extension of quantum chemistry that treats electronic and photonic degrees of freedom on equal footing. In this Perspective, we review the growing landscape of many-body QED methods, including Hartree–Fock, density functional theory (QEDFT), time-dependent DFT (QED-TDDFT), configuration interaction (QED-CI), complete active space (QED-CASSCF), coupled cluster (QED-CC), quantum Monte Carlo (QED-QMC), and density matrix renormalization group (QED-DMRG), highlighting recent developments and implementations. We further explore real-time methods, gradient and Hessian formalisms, and the integration of nonadiabatic nuclear dynamics. Applications range from benchmark simulations of polaritonic chemistry to quantum simulations on emerging quantum hardware. We conclude by outlining future directions for theory development and interdisciplinary efforts at the interface of quantum chemistry, condensed matter, and quantum optics.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Thiol- and Disulfide-Functionalized Polycyclooctene: Metathesis Polymerization, Degradation, and Reformation

The enormous global production and use of polymers and plastics, combined with slower and less efficient disposal and recycling methods, have led to a worldwide growth in plastic waste. Here, we describe an approach that builds degradability into macromolecular polyolefins through the design of telechelic oligomers with reactive functional groups that enables control over polymer deconstruction and reconstruction. Our work exploits disulfide-containing polymers that have emerged as promising cyclable materials due to their dynamic reversibility (bond formation and cleavage) driven by redox chemistry under mild conditions. Specifically, we describe the synthesis of a telechelic α,ω-dithiopolycyclooctene (PCOE) by ring-opening metathesis polymerization using a dithioacetate chain transfer agent, followed by deprotection to convert the chain-end thioacetates to thiols. This process was studied towards control over the degree of oxidation to yield disulfide-containing PCOE, followed by an evaluation of reductive degradation and oxidative repolymerization. Overall, this approach facilitates the production of disulfide-containing unsaturated polyolefins and the integration of degradable and reformable moieties into soluble, processable, metathesis-derived polymers.

Lee, Kyoungwon↗
DOE OSTI2026

Transient hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation. II. Isomer-resolved unimolecular dynamics

Transient carbon-centered hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation are characterized by their time- and energy-resolved unimolecular dissociation dynamics to hydroxyl (OH) and cyclic ether products. Two distinct •QOOH isomers are examined with radical sites at a primary carbon of one of the methyl groups (β-Me) or a secondary carbon (β-Et) of the ethyl group. Energy-dependent unimolecular rates are obtained from the time-dependent appearance of OH products for the two isomers and compared with statistical microcanonical rates computed using RRKM theory, including heavy-atom tunneling, based on high-level theoretical calculations. A benchmark-corrected approach is utilized to compute high-accuracy stationary-point energies, most importantly, transition-state barriers, for the •QOOH_Me and •QOOH_Et isomers in isopentane oxidation, building on higher-level reference calculations for the oxidation of ethane (C 2 H 5 O 2 ) and propane (C 3 H 7 O 2 ), respectively. Here, the measured rates are compared with RRKM calculations incorporating the benchmark-corrected transition-state parameters, a vibrationally adiabatic multidimensional hindered-rotor treatment of key torsions, and quantum tunneling. Agreement between experiment and theory validates the statistical description and shows faster decay for •QOOH_Et due to its lower barrier. Both β-QOOH isomers decay almost exclusively to OH + cyclic ether products under the conditions studied.

Oxidation processes↗
NASA NTRS1988

On infall into the Virgo cluster

The history of the study of the Galaxy's motion with respect to the Local Supercluster is reviewed. Direct measurements of the infall pattern suggest an infall component at the Local Group of about 250 km/s. This value is consistent with that expected if the average mass-to-light ratio of galaxies is similar to that dynamically measured in galaxy clusters, a value that gives an Omega of only about 0.3. The infall pattern is also consistent with galaxy density maps produced by IRAS surveys, although it may be only marginally consistent with the 'Great Attractor'. On smaller scales, there is strong evidence that most of the spiral galaxies near the cluster core are still falling in. Using the best distance estimates to the Virgo cluster, the local value of the Hubble constant is about 85 km/s/Mpc.

Huchra, John P.↗
NASA NTRS2002

Long Term Manipulations of Intact Microbial Mat Communities in a Greenhouse Collaboratory: Simulating Earth's Present and Past Field Environments

Photosynthetic microbial mat communities were obtained from marine hypersaline saltern ponds, maintained in a greenhouse facility, and examined for the effects of salinity variations. Because these microbial mats are considered to be useful analogs of equivalent ancient marine communities, they offer insights about evolutionary events during the greater than 3 billion year time interval wherein mats co-evolved with Earth's geosphere and atmosphere. Although photosynthetic mats can be highly dynamic and exhibit extremely high activity, the mats in the present study have been maintained for more than one year with relatively minor changes. The major groups of microorganisms, as assayed using microscopic, genetic, and biomarker methodologies, are essentially the same as those in the original field samples. Field and greenhouse mats were similar with respect to rates of exchange of oxygen and dissolved inorganic carbon across the mat-water interface, both during the day and at night. Field and greenhouse mats exhibited similar rates of efflux of methane and hydrogen. Manipulations of salinity in the water overlying the mats produced changes in the community that strongly resemble those observed in the field. A collaboratory testbed and an array of automated features are being developed to support remote scientific experimentation with the assistance of intelligent software agents. This facility will permit teams of investigators to explore ancient environmental conditions that are rare or absent today but might have influenced the early evolution of these photosynthetic ecosystems.

Bebout, Brad↗
NASA NTRS1997

Real-Time 3D Visualization

Butler Hine, former director of the Intelligent Mechanism Group (IMG) at Ames Research Center, and five others partnered to start Fourth Planet, Inc., a visualization company that specializes in the intuitive visual representation of dynamic, real-time data over the Internet and Intranet. Over a five-year period, the then NASA researchers performed ten robotic field missions in harsh climes to mimic the end- to-end operations of automated vehicles trekking across another world under control from Earth. The core software technology for these missions was the Virtual Environment Vehicle Interface (VEVI). Fourth Planet has released VEVI4, the fourth generation of the VEVI software, and NetVision. VEVI4 is a cutting-edge computer graphics simulation and remote control applications tool. The NetVision package allows large companies to view and analyze in virtual 3D space such things as the health or performance of their computer network or locate a trouble spot on an electric power grid. Other products are forthcoming. Fourth Planet is currently part of the NASA/Ames Technology Commercialization Center, a business incubator for start-up companies.

Source record↗
NASA NTRS2012

The Effects of Climate Variability on Phytoplankton Composition in the Equatorial Pacific Ocean using a Model and a Satellite-Derived Approach

Compared the interannual variation in diatoms, cyanobacteria, coccolithophores and chlorophytes from the NASA Ocean Biogeochemical Model with those derived from satellite data (Hirata et al. 2011) between 1998 and 2006 in the Equatorial Pacific. Using NOBM, La Ni a events were characterized by an increase in diatoms (correlation with MEI, r=-0.81, P<0.05), while cyanobacteria concentrations decreased significantly (r=0.61; P<0.05). El Nino produced the reverse pattern, with cyanobacteria populations increasing while diatoms plummeted. This represented a radical shift in the phytoplankton community in response to climate variability. However, satellite-derived phytoplankton groups were all negatively correlated with climate variability (r ranged from -0.39 for diatoms to -0.64 for coccolithophores, P<0.05). Spatially, the satellite-derived approach was closer to an independent in situ dataset for all phytoplankton groups except diatoms than NOBM. However, the different responses of phytoplankton to intense interannual events in the Equatorial Pacific raises questions about the representation of phytoplankton dynamics in models and algorithms: is a phytoplankton community shift as in the model or an across-the-board change in abundances of all phytoplankton as in the satellite-derived approach.

Rousseaux, C. S.↗
NASA NTRS2012

NASA Electronic Parts and Packaging (NEPP) Program

Recent Findings from Audits, New Technology Data Reviews a) Disabled Chip Burn-ins A recent audit for a QML device discovered that the chip was disabled during the static burn-in, thus it was not drawing any current. Recommendation: For new SMDs add a statement within the burn-in paragraphs stating that the parts shall be kept in their enabled state during the burn-in. b) Class Q 160-hr/125oC Burn-in This is being interpreted as a static burn-in (even for CMOS technology). Recommendation: Provide clarification in MIL-STD-883, Test Method 5004. c) At Frequency (Dynamic) Burn-ins Test equipment limitation is being cited for not doing burn-ins at the application frequency. Recommendation: The burn-in task group to discuss and provide guidance. When the SMD says that the part can be used at 200 MHz, then doing burn-in at 6 MHz (cited as burn-in equipment limitation frequency) is not going to be meaningful! d) Two Static Burn-ins Some manufacturers are doing electrical testing between the two static burn-ins, whereas others do electricals after completing both static burn-ins. Recommendation: Provide clarification in MIL-STD-883, Test Method 5004. e) Thermal Imaging For a device with hot spots, the thermal resistance, junction-to-case, would be much higher than the guidelines given in MIL-STD-1835. One of the suppliers used thermal imaging to find hot spots on the die. Recommendation: Assign a task group to evaluate the effectiveness of thermal imaging at the product development stage.

Class Y↗
NASA NTRSDate not supplied

AIAA ASCEND 2023 Panel Session Proposal: Community Perspectives on Establishing a Government-Funded National Laboratory in a Commercially-Driven LEO Ecosystem

AIAA ASCEND 2023 Panel Session Proposal: Community Perspectives on Establishing a Government-Funded National Laboratory in a Commercially-Driven LEO Ecosystem Submitted by the NASA Office of Technology, Policy, and Strategy March 8, 2023 Session Format: Panel Session Topic: Expanding and Evolving the Space Economy Session Title: Community Perspectives on Establishing a Government-Funded National Laboratory in a Commercially-Driven LEO Ecosystem Short Session Description: NASA is preparing for the retirement of the ISS and transition of government-sponsored low-Earth orbit (LEO) activities to Commercial LEO Destinations (CLDs), which includes a government-funded national lab. This transition necessitates new models to connect government-funded users of the LEO environment to CLDs. This panel will highlight updates on what may constitute a national laboratory, share perspectives from members of LEO user communities, and open the discussion for additional comments. Requested Session Duration: 90 minutes Extended Session Description: NASA is preparing for the retirement of the ISS and transition of low-Earth orbit (LEO) activities to Commercial LEO Destinations (CLDs), including planning for a national laboratory. This transition necessitates new models for connecting government-funded users of the LEO environment to CLDs. NASA has made progress on models and a stepwise strategy to enable this national laboratory. This session will discuss guiding national strategies and highlight perspectives on what constitutes a national laboratory from current user communities. A NASA panel participant will introduce the rationale for continuing a national laboratory utilizing CLDs and speak on progress-to-date. This includes furthering national priorities to continue a space-based microgravity national laboratory. It also may include a brief overview of a study conducted by NASA which elucidates a trade space of models for a national laboratory and highlights from an interagency working group on microgravity for additional context. A moderator and five panelists representing diverse LEO user communities will then share perspectives on topics relating to this new dynamic ecosystem, expectations for models and activities, and other thoughts on NASA’s progress. Panelists may consist of members from the following communities: NASA, other U.S. government agencies, startups, small businesses, academia, and non-profits. The panel then plans to open discussion to the audience for questions, input, and additional feedback. Session Goal(s)/Outcome(s): By hosting a panel session, NASA aims to accomplish two goals. First, NASA wishes to update the community on progress towards establishing a national laboratory in low-Earth orbit. This includes sharing key perspectives heard from stakeholder communities. The second goal is to highlight the collaborative nature of such an undertaking and to facilitate additional discussion with other current and future users of the LEO community. Participants (not exhaustive): Erica Rodgers; Robyn Gatens

Erica Marie Rodgers Heusinkveld↗
DOE OSTI2025

Multidimensional Modeling of Mixture Formation in a Hydrogen-Fueled Heavy-Duty Optical Engine With Direct Injection

Hydrogen (H 2 ), as a carbon-free fuel, is considered as one of the most promising solutions to reduce the carbon footprint of hard-to-decarbonize energy and transportation sectors. As such, hydrogen-fueled internal combustion engines (H 2 ICEs) have recently been receiving increasing attention, particularly in applications such as on-road/off-road heavy-duty transport and combined heat and power. The direct injection (DI) of gaseous hydrogen into the combustion chamber offers great potential for achieving high power density and high engine efficiency, while mitigating the risk of backfire and reducing pre-ignition. However, the numerical simulation of H 2 DI system remains a formidable challenge associated with the high computational cost of reproducing compressible supersonic flow and shocks in narrow injector passages and in near-nozzle regions. In general, there is a lack of well-established and validated practices for the modeling of high-pressure H 2 DI in large-bore engines. Here, to this end, this study focuses on computational fluid dynamics (CFD) modeling of the mixture formation process in a heavy-duty optical engine employing a medium-pressure H 2 DI system. Both large eddy simulations (LES) and Reynolds Averaged Navier–Stokes (RANS) simulations are performed and evaluated against optical data. Gaseous hydrogen is injected into the combustion chamber via a centrally located outward opening hollow-cone injector at a pressure of 40 bar. Simulations are carried out for two injection timings, namely, −120 and −60 °CA. The numerical predictions for H 2 distribution in different horizontal and vertical planes during the compression stroke are systematically compared against optical data obtained through planar laser-induced fluorescence (PLIF) measurements. Overall, the LES approach using the Dynamic Structure model is found to have good predictive capabilities for the early jet penetration in terms of length and shape, as well as the later H 2 distributions. However, the unsteady RANS approach with the renormalization group $k - ϵ$ model, which is widely used by industry to model heavy-duty ICEs, significantly underpredicts the H 2 mixing, even at similar mesh resolution to that used in LES. These results indicate that there is a need for the improvement of mixing submodels within the RANS approach when applied to H 2 DI simulations.

LES↗
NASA NTRS1983

Redshifts of groups and clusters in the rich superclusters 1451+22 and 1615+43

Redshift measurements and finding charts are presented for galaxy clusters in the field of two rich, distant superclusters. Both systems are shown to have morphological and dynamical properties similar to the nearby superclusters, including small internal velocity dispersions and high density contrasts in redshift space. This data is consistent with two interpretations: either both superclusters are highly flattened systems with major axes close to the plane of the sky, or the observed velocity dispersions do not arise from unperturbed Hubble flow. If the latter explanation is correct, these radial velocity data are a powerful probe of the large scale matter density in the universe.

Ciardullo, R.↗
DOE OSTI2024

Mapping Structure and Rheology of pH-Responsive Resins for Low-VOC Coatings

In recent years, the paint and coatings industry has shifted away from traditional resin formulations that require high concentrations of volatile organic compounds (VOCs) to achieve the desired rheological performance and sustainability targets. One approach to eliminate or reduce VOCs in paint and coating formulations while maintaining the final performance is to disperse stimuli-responsive polymer latex particles in water. The chemistry and architecture of these particles have been engineered such that the suspension rheology changes in response to the pH changes. The particles can also be swollen with organic solvents to illicit similar rheological changes. To understand how the particle microstructure influences the observed macroscopic properties, we use small-angle neutron scattering and dynamic light scattering to determine that these particles consist of a cross-linked core with long polymer tails that extend into the dispersing medium. Carboxylic acid groups present on the tails deprotonate with increasing pH, and the extension of the polymer chain due to charge repulsion increases the hydrodynamic drag on the particle. Here we find that adjusting the pH alone has a much more significant effect on the shear dependence of the viscosity of the studied resin than adding organic solvent alone. We also find that this resin architecture is more responsive per mole of pH-responsive group than other architectures of pH-responsive latex particles in the literature.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Using magnetic dynamics to measure the spin gap in a candidate Kitaev material

Spin-orbit entangled materials have attracted widespread interest due to the novel magnetic phenomena arising from the interplay between spin-orbit coupling and electronic correlations. However, the intricate nature of spin interactions within Kiteav materials complicates the precise measurement of low-energy spin excitations. Using Na 2 Co 2 TeO 6 as an example, we study these low-energy spin excitations using the time-resolved resonant elastic x-ray scattering (tr-REXS). Our observations unveil remarkably slow spin dynamics at the magnetic peak, whose recovery timescale is several nanoseconds. This timescale aligns with the extrapolated spin gap of ~1 μeV, obtained by density matrix renormalization group (DMRG) simulations in the thermodynamic limit. The consistency demonstrates the efficacy of tr-REXS in discerning low-energy spin gaps inaccessible to conventional spectroscopic techniques.

36 MATERIALS SCIENCE↗
NASA NTRS1996

Howard University Energy Expert Systems Institute Summer Program (EESI)

Howard University, under the auspices of the Center for Energy Systems and Controls runs the Energy Expert Systems Institute (EESI) summer outreach program for high school/pre-college minority students. The main objectives are to introduce precollege minority students to research in the power industry using modern state-of-the-art technology such as Expert Systems, Fuzzy Logic and Artificial Neural Networks; to involve minority students in space power management, systems and failure diagnosis; to generate interest in career options in electrical engineering; and to experience problem-solving in a teamwork environment consisting of faculty, senior research associates and graduate students. For five weeks the students are exposed not only to the exciting experience of college life, but also to the inspiring field of engineering, especially electrical engineering. The program consists of lectures in the fundamentals of engineering, mathematics, communication skills and computer skills. The projects are divided into mini and major. Topics for the 1995 mini projects were Expert Systems for the Electric Bus and Breast Cancer Detection. Topics on the major projects include Hybrid Electric Vehicle, Solar Dynamics and Distribution Automation. On the final day, designated as 'EESI Day' the students did oral presentations of their projects and prizes were awarded to the best group. The program began in the summer of 1993. The reaction from the students has been very positive. The program also arranges field trips to special places of interest such as the NASA Goddard Space Center.

Momoh, James A.↗
NASA NTRS2009

Tele-Supervised Adaptive Ocean Sensor Fleet

The Tele-supervised Adaptive Ocean Sensor Fleet (TAOSF) is a multi-robot science exploration architecture and system that uses a group of robotic boats (the Ocean-Atmosphere Sensor Integration System, or OASIS) to enable in-situ study of ocean surface and subsurface characteristics and the dynamics of such ocean phenomena as coastal pollutants, oil spills, hurricanes, or harmful algal blooms (HABs). The OASIS boats are extended- deployment, autonomous ocean surface vehicles. The TAOSF architecture provides an integrated approach to multi-vehicle coordination and sliding human-vehicle autonomy. One feature of TAOSF is the adaptive re-planning of the activities of the OASIS vessels based on sensor input ( smart sensing) and sensorial coordination among multiple assets. The architecture also incorporates Web-based communications that permit control of the assets over long distances and the sharing of data with remote experts. Autonomous hazard and assistance detection allows the automatic identification of hazards that require human intervention to ensure the safety and integrity of the robotic vehicles, or of science data that require human interpretation and response. Also, the architecture is designed for science analysis of acquired data in order to perform an initial onboard assessment of the presence of specific science signatures of immediate interest. TAOSF integrates and extends five subsystems developed by the participating institutions: Emergent Space Tech - nol ogies, Wallops Flight Facility, NASA s Goddard Space Flight Center (GSFC), Carnegie Mellon University, and Jet Propulsion Laboratory (JPL). The OASIS Autonomous Surface Vehicle (ASV) system, which includes the vessels as well as the land-based control and communications infrastructure developed for them, controls the hardware of each platform (sensors, actuators, etc.), and also provides a low-level waypoint navigation capability. The Multi-Platform Simulation Environment from GSFC is a surrogate for the OASIS ASV system and allows for independent development and testing of higher-level software components. The Platform Communicator acts as a proxy for both actual and simulated platforms. It translates platform-independent messages from the higher control systems to the device-dependent communication protocols. This enables the higher-level control systems to interact identically with heterogeneous actual or simulated platforms.

Lefes, Alberto↗
NASA NTRS2007

Recent Results of a New Microwave SQUID Multiplexer

We are developing a proof-of-concept microwave SQUID multiplexer containing four SQUIDs coupled to GHz frequency resonant circuits and fed with a single microwave readout line. The resonators are half-wave coplanar waveguide sections and are similar to the structures used for the microwave kinetic inductance detectors developed in our group. Optimal values for the interdigital gap capacitors were determined to maximize the sensitivity of the transmitted and reflected microwave signal with respect to changes in the dynamic resistance of the SQUID. The dc current-bias line for the SQUID has an in-line inductive high frequency filter to minimize coupling between the bias line and resonator. A high frequency modulation scheme is proposed to eliminate the need for individual flux biasing of the SQUIDs, which extends the dynamic range of the readout. In this scheme a common modulation signal is imposed on each SQUID and the received signal is demodulated at one and two times the modulation frequency to maintain sensitivity at any flux state. We present the recent results of the microwave SQUID multiplexer system operating at a readout frequency range of 10 - 11GHz.

superconducting quantum interference device (SQUID↗
NASA NTRS2024

Advanced Libya-4 radiometric and atmospheric characterization utilizing MODIS and VIIRS full-scan reflective solar band measurements

The NASA Clouds and the Earth's Radiant Energy System (CERES) project provides observed flux and cloud products to the climate science community. The CERES instruments, along with the MODIS and VIIRS imagers, are onboard the Terra, Aqua, NPP, and NOAA20 satellites. In order to produce seamless multi-platform integrated products, long-term sensor stability and inter-calibration are required. Inter-calibration between sensors within the same sun-synchronous orbit relies on Earth invariant targets because simultaneous nadir overpasses are not possible. To facilitate inter-calibration efforts, the CERES Imager and Geostationary Calibration Group (IGCG) has improved the Libya-4 target characterization. Improvements include full scan angle characterization to enable daily observations, clear-sky identification using individual scan angle dynamic spatial homogeneity thresholds, and atmospheric corrections. The water vapor correction was found to be effective across the full scan, whereas the ozone and aerosol corrections were less effective. The atmospheric-corrected normalized radiance temporal fluctuations are similar across scan angles, spectral bands, and between the MODIS and VIIRS imagers, suggesting that the fluctuations are a result of the natural variability of the Libya-4 surface reflectance. The Libya-4 surface variability is more than likely caused by changes in the prevailing winds that alter sand dune orientation and resulting shadows. The full-scan-imager atmosphere and angle corrected reflected solar band radiance trend standard errors are between 0.6% and 1.0%, and for near-nadir observations, are between 0.5% and 0.8%. The advanced characterization suggests that the Libya-4 short-term surface reflectance anomalies may need to be considered for imager stability monitoring and inter-calibration efforts.

Libya-4 Pseudo-invariant Calibration Site↗
DOE OSTI2025

Basic Physical Processes Involving Dust in Fusion Plasmas

This report presents the main outcomes of our research focused on understanding the behavior and effects of dust particles in fusion plasmas, particularly in the edge regions of tokamaks and stellarators. We conducted computer modeling studies of burst injections of carbon and tungsten dust particles in DIII-D like divertor plasmas. The studies investigated effects of transient influx of the low- and high-Z material plasma contaminants in form of dust on the edge plasma dynamics in a modern mid-size tokamak. We also performed theoretical and computational studies of the forces acting on non-spherical dust grains in magnetized and nonmagnetized plasmas. In addition, we cooperated with General Atomics slag management group on development of DIII-D dust injection experiments to measure trajectories of dust grains in the divertor plasma and compare them with DUSTT code predictions for validation of the dust modeling capabilities. We collaborated with JET experimentalists on evaluation of radiative losses induced by injection of mixed neon-deuterium ice pellets for disruption and run-away electron generation mitigation during thermal and current quench phases. We also cooperated with experimentalists at LHD fusion device (Japan) on modeling support of experiments on injection of boron granules in fusion plasma discharges to assess their dynamics and effectiveness for in situ dynamic wall conditioning.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗