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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Ultrafast conformational dynamics of Rydberg-excited N -methyl piperidine

We have observed the ultrafast conformational dynamics of electronically excited N-methyl piperidine (NMP) using time-resolved Rydberg fingerprint spectroscopy. Optical excitation at various wavelengths ranging from 212 nm to 229 nm leads to the 3s or 3p Rydberg states and induces coherent oscillatory motions with periods of about 700 fs. Furthermore, these coherent motions survive the internal conversion from 3p to 3s but then dephase on a time scale of a few oscillations. Intramolecular vibrational energy redistribution on a picosecond time scale leads to an equilibrium between two conformeric structures that are separated in binding energy by 0.09 eV. Model calculations using the DFT-SIC method are in excellent agreement with the experiments and identify the conformers as the chair and twist structures of NMP. The analysis of the equilibrium parameters at long time delays as a function of excitation wavelength allows for the extraction of thermodynamic parameters for the conformeric transformation. We derive an enthalpy of the chair to twist reaction in the 3s excited state of 62 meV with an entropy of 19.70 J mol –1 K –1 . An activation energy of 276 meV is also obtained with a kinetic model.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1995

STS-70 Mission Highlights

The highlights of the STS-70 mission are presented in this video. The flight crew consisted of Cmdr. Tom Henricks, Pilot Kevin Kregel, Flight Engineer Nancy Currie, and Mission Specialists Dr. Don Thomas and Dr. Mary Ellen Weber. The mission's primary objective was the deployment of the 7th Tracking Data and Relay Satellite (TDRS), which will provide a communication, tracking, telemetry, data acquisition, and command services space-based network system essential to low Earth orbital spacecraft. Secondary mission objectives included activating and studying the Physiological and Anatomical Rodent Experiment/National Institutes of Health-Rodents (PARE/NIH-R), The Bioreactor Demonstration System (BDS), the Commercial Protein Crystal Growth (CPCG) studies, the Space Tissue Loss/National Institutes of Health-Cells (STL/NIH-C) experiment, the Biological Research in Canisters (BRIC) experiment, Shuttle Amateur Radio Experiment-2 (SAREX-2), the Visual Function Tester-4 (VFT-4), the Hand-Held, Earth Oriented, Real-Time, Cooperative, User-Friendly, Location-Targeting and Environmental System (HERCULES), the Microcapsules in Space-B (MIS-B) experiment, the Windows Experiment (WINDEX), the Radiation Monitoring Equipment-3 (RME-3), and the Military Applications of Ship Tracks (MAST) experiment. There was an in-orbit dedication ceremony by the spacecrew and the newly Integrated Mission Control Center to commemorate the Center's integration. The STS-70 mission was the first mission monitored by this new control center. Earth views included the Earth's atmosphere, a sunrise over the Earth's horizon, several views of various land masses, some B/W lightning shots, some cloud cover, and a tropical storm.

Source record↗
NASA NTRS1981

Development of battery separator composites

Improved inorganic-organic separators developed by NASA were commercially prepared. A single-ply asbestos substrate was developed, as well as alternative substrates based on cellulose and on polypropylene fibers. The single-ply asbestos was bound with butyl rubber and was functionally superior to the formerly used polyphenylene oxide saturated sheet. Commercially prepared separators exhibited better measured separator properties than the NASA standard. Cycle life in Ni/Zn and Ag/Zn cells was related to substrate, decreasing in the order; asbestos cellulose paper nonwoven polypropylene. The cycle life of solvent-coated separators was better than aqueous in Ni/Zn cells, while aqueous coatings were better in Ag/Zn cells.

Schmidt, George F.↗
NASA NTRS2014

GRAIL Refinements to Lunar Seismic Structure

Joint interpretation of disparate geophysical datasets helps reduce drawbacks that can result from analyzing them individually. The Apollo seismic network was situated on the lunar nearside surface in a roughly equilateral triangle having sides approximately 1000 km long, with stations 12/14 nearly co-located at one corner. Due to this limited geographical extent, near-surface ray coverage from moonquakes is low, but increases with depth. In comparison, gravity surveys and their resulting gravity anomaly maps have traditionally offered optimal resolution at crustal depths. Gravimetric maps and seismic data sets are therefore well suited to joint inversion, since the complementary information reduces inherent model ambiguity. Previous joint inversions of the Apollo seismic data (seismic phase arrival times) and Clementine- or Lunar Prospector-derived gravity data (mass and moment of inertia) attempted to recover the subsurface structure of the Moon by focusing on hypothetical lunar compositions that explored the density/velocity relationship. These efforts typically searched for the best fitting thermodynamically calculated velocity/density model, and allowed variables like core size, velocity, and/or composition to vary freely. Seismic velocity profiles derived from the Apollo seismic data through travel time inversion vary both in the depth of the crust and mantle layers, and the seismic velocities and densities assigned to those layers. The lunar mass and moment of inertia likewise only constrain gross variations in the density profile beyond that of a uniform density sphere. As a result, composition and structure models previously obtained by jointly inverting these data retain the original uncertainties inherent in the input data sets. We perform a joint inversion of Apollo seismic delay times and gravity data collected by the GRAIL lunar gravity mission, in order to recover seismic velocity and density as a function of latitude, longitude, and depth within the Moon. We relate density (p) to seismic velocity (v) using a depth-dependent linear relationship. The corresponding coefficient (B) can reflect a variety of material properties, including temperature and composition. The inversion seeks to recover the set of p, v, and B perturbations that minimize (in a least-squares sense) the difference between the observed and calculated data.

Weber, Renee C.↗
DOE OSTI2024

Neural simulation-based inference of the neutron star equation of state directly from telescope spectra

Neutron stars provide a unique opportunity to study strongly interacting matter under extreme density conditions. The intricacies of matter inside neutron stars and their equation of state are not directly visible, but determine bulk properties, such as mass and radius, which affect the star's thermal X-ray emissions. However, the telescope spectra of these emissions are also affected by the stellar distance, hydrogen column, and effective surface temperature, which are not always well-constrained. Uncertainties on these nuisance parameters must be accounted for when making a robust estimation of the equation of state. In this study, we develop a novel methodology that, for the first time, can infer the full posterior distribution of both the equation of state and nuisance parameters directly from telescope observations. This method relies on the use of neural likelihood estimation, in which normalizing flows use samples of simulated telescope data to learn the likelihood of the neutron star spectra as a function of these parameters, coupled with Hamiltonian Monte Carlo methods to efficiently sample from the corresponding posterior distribution. Our approach surpasses the accuracy of previous methods, improves the interpretability of the results by providing access to the full posterior distribution, and naturally scales to a growing number of neutron star observations expected in the coming years.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Unscreened forces in the quark-gluon plasma?

We study the correlator of temporal Wilson lines at nonzero temperature in 2+1 flavor lattice QCD with the aim to define the heavy quark-antiquark potential at nonzero temperature. For temperatures 153 MeV ≤ 𝑇 ≤ 352 MeV the spectral representation of this correlator is consistent with a broadened peak in the spectral function, position, or width of which then defines the real or imaginary parts of the heavy quark-antiquark potential at nonzero temperature, respectively. We find that the potential’s real part is not screened contrary to the widely held expectations. We comment on how this fact may modify the picture of quarkonium melting in the quark-gluon plasma.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1973

Aerodynamic influence coefficient method using singularity splines.

A new numerical formulation with computed results, is presented. This formulation combines the adaptability to complex shapes offered by paneling schemes with the smoothness and accuracy of the loading function methods. The formulation employs a continuous distribution of singularity strength over a set of panels on a paneled wing. The basic distributions are independent, and each satisfies all of the continuity conditions required of the final solution. These distributions are overlapped both spanwise and chordwise (termed 'spline'). Boundary conditions are satisfied in a least square error sense over the surface using a finite summing technique to approximate the integral.

Mercer, J. E.↗
NASA NTRS1996

Studies of Two-Phase Flow Dynamics and Heat Transfer at Reduced Gravity Conditions

The ability to predict gas-liquid flow patterns is crucial to the design and operation of two-phase flow systems in the microgravity environment. Flow pattern maps have been developed in this study which show the occurrence of flow patterns as a function of gas and liquid superficial velocities as well as tube diameter, liquid viscosity and surface tension. The results have demonstrated that the location of the bubble-slug transition is affected by the tube diameter for air-water systems and by surface tension, suggesting that turbulence-induced bubble fluctuations and coalescence mechanisms play a role in this transition. The location of the slug-annular transition on the flow pattern maps is largely unaffected by tube diameter, liquid viscosity or surface tension in the ranges tested. Void fraction-based transition criteria were developed which separate the flow patterns on the flow pattern maps with reasonable accuracy. Weber number transition criteria also show promise but further work is needed to improve these models. For annular gas-liquid flows of air-water and air- 50 percent glycerine under reduced gravity conditions, the pressure gradient agrees fairly well with a version of the Lockhart-Martinelli correlation but the measured film thickness deviates from published correlations at lower Reynolds numbers. Nusselt numbers, based on a film thickness obtained from standard normal-gravity correlations, follow the relation, Nu = A Re(sup n) Pr(exp l/3), but more experimental data in a reduced gravity environment are needed to increase the confidence in the estimated constants, A and n. In the slug flow regime, experimental pressure gradient does not correlate well with either the Lockhart-Martinelli or a homogeneous formulation, but does correlate nicely with a formulation based on a two-phase Reynolds number. Comparison with ground-based correlations implies that the heat transfer coefficients are lower at reduced gravity than at normal gravity under the same flow conditions. Nusselt numbers can be correlated in a fashion similar to Chu and Jones.

Witte, Larry C.↗
DOE OSTI2020

Electrocatalytic Hydrogenation of Biomass-Derived Organics: A review

Sustainable energy generation calls for a shift away from centralized, high-temperature, energy-intensive processes to decentralized, low-temperature conversions that can be powered by electricity produced from renewable sources. Electrocatalytic conversion of biomass-derived feedstocks would allow carbon recycling of distributed, energy-poor resources in the absence of sinks and sources of high-grade heat. Selective, efficient electrocatalysts that operate at low temperatures are needed for electrocatalytic hydrogenation (ECH) to upgrade the feedstocks. For effective generation of energy-dense chemicals and fuels, two design criteria must be met: (i) a high H:C ratio via ECH to allow for high-quality fuels and blends, and (ii) a lower O:C ratio in the target molecules via electrochemical decarboxylation/deoxygenation to improve the stability of fuels and chemicals. The goal of this review is to determine whether the following questions have been sufficiently answered in open literature, and if not, what additional information is required: (1) What organic functionalities are accessible for electrocatalytic hydrogenation under a set of reaction conditions? How do substitutions and functionalities impact the activity and selectivity of ECH? (2) What material properties cause an electrocatalyst to be active for ECH? Can general trends in ECH be formulated based on the type of electrocatalyst? (3) What is the impact of reaction (electrolyte concentration, pH, operating potential) and reactor type conditions?

Catalysts, redox reactions, hydrocarbons, Aromatic↗
DOE OSTI2020

Ultrafast Dynamics of Excited Electronic States in Nitrobenzene Measured by Ultrafast Transient Polarization Spectroscopy

We investigate ultrafast dynamics of the lowest singlet excited electronic state in liquid nitrobenzene using ultrafast transient polarization spectroscopy, extending the well-known technique of optical Kerr effect spectroscopy to excited electronic states. The third-order nonlinear response of the excited molecular ensemble is measured using a pair of femtosecond pulses following a third femtosecond pulse that populates the S 1 excited state. By measuring this response, which is highly sensitive to details of the excited state character and structure, as a function of time delays between the three pulses involved, we extract the dephasing time of the wave packet on the excited state. The dephasing time, measured as a function of time delay after pump excitation, shows oscillations indicating oscillatory wave packet dynamics on the excited state. Finally, from the experimental measurements and supporting theoretical calculations, we deduce that the wave packet completely leaves the S 1 state potential energy surface after three traversals of the intersystem crossing between the singlet S 1 and triplet T 2 states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2013

GRAIL Refinements to Lunar Seismic Structure

Joint interpretation of disparate geophysical datasets helps to reduce drawbacks that can result from analyzing them individually. The Apollo seismic network was situated on the lunar nearside surface in a roughly equilateral triangle having sides approximately 1000 km long, with stations 12/14 nearly co‐located at one corner. Due to this limited geographical extent, near‐surface ray coverage from moonquakes is low, but increases with depth. In comparison, gravity surveys and their resulting gravity anomaly maps have traditionally offered optimal resolution at crustal depths. Gravimetric maps and seismic data sets are therefore well suited to joint inversion, since the complementary information reduces inherent model ambiguity. Previous joint inversions of the Apollo seismic data (seismic phase arrival times) and Clementine‐ or Lunar Prospector‐derived gravity data (mass and moment of inertia) attempted to recover the subsurface structure of the Moon by focusing on hypothetical lunar compositions that explore the density/velocity relationship. These efforts typically search for the best fitting thermodynamically calculated velocity/density model, allowing variables like core size, velocity, and/or composition to vary freely. Seismic velocity profiles previously derived from the Apollo seismic data through inversion of travel times vary both in the depth of the crust and mantle layers, and the seismic velocities and densities assigned to those layers. The lunar mass and moment of inertia likewise only constrain gross variations in the density profile beyond that of a uniform density sphere. As a result, composition and structure models previously obtained by jointly inverting these data retain the original uncertainties inherent in the input data sets. We will perform a joint inversion of Apollo seismic delay times and gravity data collected by the GRAIL lunar gravity mission, in order to recover seismic velocities and density as a function of latitude, longitude, and depth within the Moon. We will relate density to seismic velocity using a linear relationship that is allowed to be depth‐dependent. The corresponding coefficient (B) can reflect a variety of material properties that vary with depth, including temperature and composition. The inversion seeks to recover the set of density, velocity, and B‐coefficient perturbations that minimize (in a least‐squares sense) the difference between the observed and calculated data.

Weber, Renee C.↗
DOE OSTI2026

Magneto-optical Kerr effect in an A-type antiferromagnet

Magneto-optic Kerr effect (MOKE) is a powerful probe of broken time-reversal symmetry (T$${{\mathcal{T}}}$$), typically used to study ferromagnets. While MOKE has been observed in some antiferromagnets (AFMs) with vanishing magnetization, it is often associated with structures whose symmetry is lower than basic collinear, bipartite order. In contrast, theory predicts a mechanism for MOKE intrinsic to all AFMs of A-type, i.e. layered AFMs in which ferromagnetic layers are antiferromagnetically aligned. Here we report the experimental confirmation of this mechanism in a bulk AFM. We achieve this by measuring the imaginary component of MOKE as a function of photon energy in MnBi2Te4, an A-type AFM where T$${{\mathcal{T}}}$$ is preserved in combination with a translation, and comparing the experimental results with model calculations. Our model suggests that observable MOKE should be expected in all collinear A-type AFMs with out-of-plane spin order, thus enabling optical detection of AFM domains and expanding the scope of MOKE to few-layer AFMs.

Sunko, Veronika↗
DOE OSTI2020

Angle-resolved nonresonant two-photon single ionization of argon using 9.3-eV photons produced via high-order harmonic generation

Here we present an experimental study on the photoionization dynamics of nonresonant one-color two-photon single valence ionization of neutral argon atoms. Using 9.3-eV photons produced via high harmonic generation and a three-dimensional momentum imaging spectrometer, we detect the photoelectrons and ions produced from nonresonant two-photon ionization in coincidence. Photoionization from the $3p$ orbital produces a photoelectron scattering wave function with $p$- and $f$-partial-wave components, which interfere and result in a photoelectron angular distribution with peak amplitude perpendicular to the vacuum ultraviolet polarization. The comparison between the present results and the two previous sets of theoretical calculations [Phys. Rev. A 44, 324 (1991), and J. Phys. B: At. Mol. Phys. 16, 2737 (1983)] indicates that electron-electron correlation contributes appreciably to the two-photon ionization dynamics.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2013

GRAIL Refinements to Lunar Seismic Structure

Joint interpretation of disparate geophysical datasets helps reduce drawbacks that can result from analyzing them individually. The Apollo seismic network was situated on the lunar nearside surface in a roughly equilateral triangle having sides approximately 1000 km long, with stations 12/14 nearly co-located at one corner. Due to this limited geographical extent, near-surface ray coverage from moonquakes is low, but increase with depth. In comparison, gravity surveys and their resulting gravity anomaly maps have traditionally offered optimal resolution at crustal depths. Gravimetric maps and seismic data sets are therefor well suited to joint inversion, since the complementary information reduces inherent model ambiguity. We will perform a joint inversion of Apollo seismic delay times and gravity data collected by GRAIL lunar gravity mission, in order to recover seismic velocity and density as a function of latitude, longitude and depth within the Moon. We will relate density (rho) to seismic velocity (v) using a linear relationship that is allowed to be depth-dependent. The corresponding coefficient (B) can reflect a variety of material properties that vary with depth, including temperature and composition. The inversion seeks to recover the set of rho, v, and B perturbations that minimize (in a least-squares sense) the difference between the observed and calculated data.

Weber, Renee C.↗
NASA NTRS2014

Grail Refinements to Lunar Seismic Structure

To probe a planet's interior, seismology provides the most direct constraints on the variables that govern the dynamic properties of the body. However, the GRAIL (Gravity Recovery and Interior Laboratory) mission's high-resolution measurements of the lunar gravity field provide constraints on crustal thickness, mantle structure, core radius and stratification, and core state (solid vs. molten). These data complement seismic investigations, and joint interpretation permits improved constraints on the Moon's internal structure. Joint interpretation of disparate geophysical datasets helps reduce drawbacks that can result from analyzing them individually. The Apollo seismic network was situated on the lunar nearside surface in a roughly equilateral triangle having sides approximately 1000 km long, with stations 12/14 nearly co-located at one corner. Due to this limited geographical extent, near-surface ray coverage from moonquakes is low, but increase with depth. In comparison, gravity surveys and their resulting gravity anomaly maps have traditionally offered optimal resolution at crustal depths. Gravimetric maps and seismic data sets are therefor well suited to joint inversion, since the complementary information reduces inherent model ambiguity. We will perform a joint inversion of Apollo seismic delay times and gravity data collected by GRAIL lunar gravity mission, in order to recover seismic velocity and density as a function of latitude, longitude and depth within the Moon. We will relate density (rho) to seismic velocity (v) using a linear relationship that is allowed to be depth-dependent. The corresponding coefficient (B) can reflect a variety of material properties that vary with depth, including temperature and composition. The inversion seeks to recover the set of rho, v, and B perturbations that minimize (in a least-squares sense) the difference between the observed and calculated data.

Weber, Renee C.↗
NASA NTRS1987

The triose model - Glyceraldehyde as a source of energy and monomers for prebiotic condensation reactions

Glyceraldehyde acts as a source of energy and monomers in a new model of the origin of life. The simplest form of the model functions by converting formaldehyde from the environment into glyceraldehyde which spontaneously forms hemiacetal adducts that are oxidized to polyglyceric acid. Polyglyceric acid, in turn, acts as an autocatalyst with a rudimentary replicating ability. A unique property of the model is its ability to unite the origin of metabolism and the origin of polymer synthesis into a single process. Furthermore, the chemical resemblance of the model to glycolysis gives it the potential to develop a biological metabolism in a straightforward manner.

Weber, Arthur L.↗
DOE OSTI2021

Developing Technology Performance Level Assessments for Early-Stage Wave Energy Converter Technologies: Preprint

The advantage of using Technology Performance Level (TPL) in conjunction with Technology Readiness Level (TRL) assessments in guiding technology development trajectories to successful outcomes in less time, at less overall cost, and with less encountered risk has been well articulated in the literature. In partnership with industry and international collaborators, a TPL assessment methodology for grid-connected applications has been developed through the application of the systems engineering approach. Metrics under seven different categories have been developed, weighted based on their relative relevance, and combined to yield a composite score. The methodology has been implemented in a spreadsheet tool plus a web application specifically aimed at assessing early stage (TRL 1-3) concepts. The target use cases are (a) technology developers improving their design, to find fatal flaws early, to get feedback on current design, to identify areas of improvement that will yield the highest return on investment, (b) reviewers assessing technologies in competitions or for making funding decisions, (c) investor or project developer doing due diligence, (d) policy makers landscaping the technology domain for formulating R&D strategy. The methodology and the tools are undergoing continuous improvement based on the experience and lessons learnt from applying it to internal and external marine energy technology development projects. The methodology is also being adapted for assessing WECs servicing markets outside the continental grid - broadly categorized as Powering the Blue Economy (PBE) applications. Such applications have vastly different functional requirements entailing a modification of the methodology to account for their higher risk tolerance, reduced price sensitivities, lower power needs, different permitting protocols, etc. This paper presents the latest status of the TPL assessment methodology and tools, describes its adaptation to select PBE markets, and explores its extension to other domains where it could provide a comprehensive and holistic measure of a nascent or disruptive technology's technoeconomic performance potential.

metrics↗
DOE OSTI2021

Developing Technology Performance Level Assessments for Early-Stage Wave Energy Converter Technologies

The advantage of using Technology Performance Level (TPL) in conjunction with Technology Readiness Level (TRL) assessments in guiding technology development trajectories to successful outcomes in less time, at less overall cost, and with less encountered risk has been well articulated in the literature. In partnership with industry and international collaborators, a TPL assessment methodology for grid-connected applications has been developed through the application of the systems engineering approach. Metrics under seven different categories have been developed, weighted based on their relative relevance, and combined to yield a composite score. The methodology has been implemented in a spreadsheet tool plus a web application specifically aimed at assessing early stage (TRL 1-3) concepts. The target use cases are (a) technology developers improving their design, to find fatal flaws early, to get feedback on current design, to identify areas of improvement that will yield the highest return on investment, (b) reviewers assessing technologies in competitions or for making funding decisions, (c) investor or project developer doing due diligence, (d) policy makers landscaping the technology domain for formulating R&D strategy. The methodology and the tools are undergoing continuous improvement based on the experience and lessons learnt from applying it to internal and external marine energy technology development projects. The methodology is also being adapted for assessing WECs servicing markets outside the continental grid - broadly categorized as Powering the Blue Economy (PBE) applications. Such applications have vastly different functional requirements entailing a modification of the methodology to account for their higher risk tolerance, reduced price sensitivities, lower power needs, different permitting protocols, etc. This paper presents the latest status of the TPL assessment methodology and tools, describes its adaptation to select PBE markets, and explores its extension to other domains where it could provide a comprehensive and holistic measure of a nascent or disruptive technology's technoeconomic performance potential.

metrics↗