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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Imaging nanoscale carrier, thermal, and structural dynamics with time-resolved and ultrafast electron energy-loss spectroscopy

Time-resolved and ultrafast electron energy-loss spectroscopy (EELS) is an emerging technique for measuring photoexcited carriers, lattice dynamics, and near-fields across femtosecond to microsecond timescales. When performed in either a specialized scanning transmission electron microscope or ultrafast electron microscope (UEM), time-resolved and ultrafast EELS can directly image charge carriers, lattice vibrations, and heat dissipation following photoexcitation or applied bias. Yet, recent advances in theoretical calculations and electron optics are often required to realize the full potential of ultrafast EEL spectrum imaging. Here, in this review, we present a comprehensive overview of the recent progress in the theory and instrumentation of time-resolved and ultrafast EELS. We begin with an introduction to the technique, followed by a physical description of the loss function. We outline approaches for calculating and interpreting ground-state and transient EEL spectra spanning low-loss plasmons to core-level excitations analogous to x-ray absorption. We then survey the current state of time-resolved and ultrafast EELS techniques beyond photon-induced near-field electron microscopy, highlighting abilities to image carrier and thermal dynamics. Finally, we examine future directions enabled by emerging technologies, including electron beam monochromation, in situ and operando cells, laser-free UEM, and high-speed direct electron detectors. These advances position time-resolved and ultrafast EELS as a critical tool for uncovering nanoscale dynamic processes in quantum materials and solar energy conversion devices.

Computational methods↗
DOE OSTI2022

A critical comparison of CH∙∙∙π versus π∙∙∙π interactions in the benzene dimer: obtaining benchmarks at the CCSD(T) level and assessing the accuracy of lower scaling methods

In this study, we have established CCSD(T)/CBS (Complete Basis Set) limits for 3 stationary points on the benzene dimer potential energy surface, corresponding to the π∙∙∙π (parallel displaced or PD(C 2h ), minimum) and CH∙∙∙π (T-shaped or T(C 2v ), transition state) and tilted T-shaped (or TT(Cs), minimum) bonding scenarios considering both the structure and binding energy. The CCSD(T)/CBS binding energies are -2.65 ± 0.02 (PD), -2.74 ± 0.03 (T), and -2.83 ± 0.01 kcal mol -1 (TT). To this end, the CH∙∙∙π is ~0.2 kcal mol -1 stronger than the π∙∙∙π interaction, whereas the tilting of the CH donating benzene molecule with respect to the other benzene is worth 0.1 kcal mol -1 . As previously discussed in the literature, the MP2 level of theory does not provide a close match for either the energy or structure, yet the SCS-MP2 yields structures in excellent agreement with respect to the CCSD(T) result. It is found that the SCS-MI-MP2 also gives optimized structures very close to SCS-MP2 (within ~0.01 Å of the benchmark). Despite the closer match in structure, the spin-biased MP2 methods (SCS-, SCS-MI-, and SOS-MP2) incorrectly predict the relative stabilities of the isomers. That said, none of the spin biased MP2 methods offers a good compromise between energy and structure for the systems examined. Finally, the CCSD(T)/CBS benchmarks were used to assess the performance of 13 DFT functionals selected from different rungs of Jacob's ladder. Several functionals such as TPSS-D3, B3LYP-D3, B97-D, B97-D3, and B2PLYP-D3 provided a good description of the binding energies for both CH∙∙∙π and π∙∙∙π interactions, yielding values within 6% of the CCSD(T)/CBS benchmark values. Unlike the MP2 methods, these functionals correctly predict the relative stability of the PD(C 2h ) and T(C 2v ) dimers. Further, we find that there is no systematic improvement as Jacob's ladder is ascended (increased complexity of functional). The best functionals that result in a good compromise between structure and energy accuracy are B97-D3 and B2PLYP-D3 for both the CH∙∙∙π and π∙∙∙π interaction. Despite the impressive performance of these functionals, a challenge that remains is ensuring the transferability of these density functionals in accurately describing the interaction between dimers of larger aromatic molecules, the latter requiring high-level benchmarks for these systems.

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

The PDF perspective on the tracer-matter connection: Lagrangian bias and non-Poissonian shot noise

ABSTRACT We study the connection of matter density and its tracers from the probability density function (PDF) perspective. One aspect of this connection is the conditional expectation value 〈δtracer|δm〉 when averaging both tracer and matter density over some scale. We present a new way to incorporate a Lagrangian bias expansion of this expectation value into standard frameworks for modelling the PDF of density fluctuations and counts-in-cells statistics. Using N-body simulations and mock galaxy catalogues we confirm the accuracy of this expansion and compare it to the more commonly used Eulerian parametrization. For haloes hosting typical luminous red galaxies, the Lagrangian model provides a significantly better description of 〈δtracer|δm〉 at second order in perturbations. A second aspect of the matter-tracer connection is shot-noise, i.e. the scatter of tracer density around 〈δtracer|δm〉. It is well known that this noise can be significantly non-Poissonian and we validate the performance of a more general, two-parameter shot-noise model for different tracers and simulations. Both parts of our analysis are meant to pave the way for forthcoming applications to survey data.

Friedrich, Oliver↗
NASA NTRS2001

Evaluating Education and Science at the KSC Visitor Complex

As part of a two-year NASA-ASEE project, a preliminary evaluation and subsequent recommendations were developed to improve the education and science content of the Kennedy Space Center Visitor Complex exhibits. Recommendations for improvements in those exhibits were based on qualitative descriptions of the exhibits, on comparisons to similar exhibit collections, and on available evaluation processes. Because of the subjective nature of measuring content in a broad group of exhibits and displays, emphasis is placed on employing a survey format for a follow-on, more quantitative evaluation. The use of an external organization for this evaluation development is also recommended to reduce bias and increase validity.

Erickson, Lance K.↗
NASA NTRS2002

Evaluating Education and Science at the KSC Visitor Complex

As part of a two-year NASA-ASEE project, a preliminary evaluation and subsequent recommendations were developed to improve the education and science content of the Kennedy Space Center Visitor Complex exhibits. Recommendations for improvements in those exhibits were based on qualitative descriptions of the exhibits, on comparisons to similar exhibit collections, and on available evaluation processes. Because of the subjective nature of measuring content in a broad group of exhibits and displays, emphasis is placed on employing a survey format for a follow-on, more quantitative evaluation. The use of an external organization for this evaluation development is also recommended to reduce bias and increase validity.

Erickson, Lance K.↗
NASA NTRS2023

Greenland and Canadian Arctic Ice Temperature Profiles Database

Here, we present a compilation of 95 ice temperature profiles from 85 boreholes from the Greenland ice sheet and peripheral ice caps, as well as local ice caps in the Canadian Arctic. Profiles from only 31 boreholes (36 %) were previously available in open-access data repositories. The remaining 54 borehole profiles (64 %) are being made digitally available here for the first time. These newly available profiles, which are associated with pre-2010 boreholes, have been submitted by community members or digitized from published graphics and/or data tables. All 95 profiles are now made available in both absolute (meters) and normalized (0 to 1 ice thickness) depth scales and are accompanied by extensive metadata. These metadata include a transparent description of data provenance. The ice temperature profiles span 70 years, with the earliest profile being from 1950 at Camp VI, West Greenland. To highlight the value of this database in evaluating ice flow simulations, we compare the ice temperature profiles from the Greenland ice sheet with an ice flow simulation by the Parallel Ice Sheet Model (PISM). We find a cold bias in modeled near-surface ice temperatures within the ablation area, a warm bias in modeled basal ice temperatures at inland cold-bedded sites, and an apparent underestimation of deformational heating in high-strain settings. These biases provide process level insight on simulated ice temperatures.

Greenland↗
DOE OSTI2023

Amazon drought resilience – emerging results point to new empirical needs

Will climate change turn tropical forests from a carbon sink to a source (Pan et al., 2011)? Tropical forests cycle more carbon, water, and energy than any other biome (Bonan, 2008). The Amazon is the largest tropical forest, spanning one-third of South America, and any perturbation in its function has repercussions on the global climate. Mild and severe droughts in the Amazon are predicted to double and triple in area, respectively, by 2100, while the area under wet extremes will increase (Duffy et al., 2015). Our understanding of the role of plants' hydrological environments in determining their drought response, however, is limited (Chitra-Tarak et al., 2018, 2021). An important review by Costa et al. (2023; pp. 714–733) published in this issue of New Phytologist highlights that shallow-water table (WT) forests constitute c. 50% of the Amazon and may act as hydrological refugia during droughts, yet they have been neglected in Amazon forest research to date. Emerging results suggest that the shallow-WT forests that dominate the Amazon basin may increase in productivity under moderate droughts due to relief from hypoxia, suggesting a potential buffer from drought relative to deeper WT forests (Fig. 1). During severe droughts, however, shallow-WT forests may be vulnerable to collapse due to drought-intolerant traits. Addressing the underrepresentation of relatively drought-resilient shallow-WT forests in the Amazon's forest inventories may help resolve the much-debated incongruence in recent studies of the Amazon's drought resilience. Data from forest inventories (biased toward deep-WT forests) indicate that the Amazon's carbon sink is declining, partially because of drought impacts (Phillips et al., 2009; Brienen et al., 2015), whereas basin-wide satellite-based measures of gross primary productivity, which include shallow-WT forests, indicate varied regional responses to droughts (Saleska et al., 2007; Brando et al., 2010). Costa et al.'s (2023) descriptive insights of the intricate balance of geology, topography, hydrology, vegetation, and drought on ecosystem function, as well as their conceptual predictive framework, are useful for developing new empirical research in these understudied ecosystems and improving Earth system models.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2023

Wind Profiling With the Airborne Doppler Aerosol Wind Lidar During the 2022 Convective Processes Experiment

The 2017 Decadal Survey for Earth Science and Applications from Space (ESAS 2017) identifies a critical need for improving our understanding of Planetary Boundary Layer (PBL) processes and air-surface fluxes as well as why clouds, convection, and heavy precipitation occur when and where they do. Lidars are uniquely capable of collecting high precision and high spatio-temporal observations that have been used for atmospheric process studies from the ground, aircraft, and space. The wind lidar team at the NASA Langley Research Center (LaRC) started the development of Doppler wind lidar more than a decade ago to demonstrate technologies required for an Earth-orbiting system to globally measure wind profiles. Since then, an airborne Doppler Aerosol WiNd (DAWN) lidar system has been developed and participated in a series of field campaigns. The Doppler Aerosol WiNd (DAWN) lidar uses atmospheric aerosol motion to derive vertical profiles of horizontal wind speed and direction beneath the aircraft. In September 2022, DAWN, along with a suite of other instruments, was flown on a NASA DC-8 as part of The Convective Processes EXperiment – Cabo Verde (CPEX-CV) field campaign. A main objective of CPEX was to obtain a comprehensive set of temperature, humidity and, particularly, wind observations over tropical waters in undisturbed conditions, Saharan dust outbreaks, and in the vicinity of scattered through organized deep convection in all phases of the convective life cycle. DAWN collected data for approximately 90 hours across 13 CPEX-CV science flights. Airborne Vertical Atmospheric Profiling System (AVAPS) dropsondes were dropped throughout the flight for profiling the atmosphere and validating the DAWN instrument. DAWN had co-located data with 347 AVAPS NRD41 dropsondes, providing 32,117 vertical levels for a comprehensive validation of DAWN wind retrievals. DAWN showed very good agreement with dropsondes of ~0.2 m/s bias and ~1.8 m/s RMS. Given this agreement, DAWN is considered to be a worthy reference dataset, and its retrievals have been compared to winds derived from GOES Atmospheric Motion Vectors (AMVs), Advanced Scatterometer winds (ASCAT), and model data from GFS, GEOS, and MERRA-2 to better understand the quality of our current models and satellite wind observations. The proposed presentation will provide a brief description of the DAWN instrument, discuss the synergistic observations collected across a wide range of atmospheric conditions sampled during the CPEX-CV flights, and a summary of comparisons between DAWN, GOES AMV, ASCAT, and model analyses/predictions, with an emphasis on the PBL.

DAWN↗
DOE OSTI2021

Up‐And‐Coming Advances in Optical and Microwave Nonreciprocity: From Classical to Quantum Realm

Reciprocity is a fundamental physical principle that roots in the time‐reversal symmetry of physical laws. It allows making predictions on any arbitrary complex system's response and operation and hence simplifies the analysis. However, there are many practical situations in which it is advantageous to break reciprocity, e.g., isolators preventing wave scattering back to lasers and generators, full‐duplex systems for multiplexing transmission and receiving in the same channel, nonreciprocal cavity excitation, and protection of fragile states of superconductor quantum computers from thermal noise. The most widespread approach to time‐reversal symmetry breaking and nonreciprocity based on magnetic field biasing suffers from bulkiness, cost ineffectiveness, and loss, motivating researchers and engineers to search for more practical approaches. Herein, the up‐and‐coming advances in optical nonreciprocity, including new materials (Weyl semimetals, topological insulators, metasurfaces), active structures, time‐modulation, parity‐time (PT)‐symmetry breaking, nonlinearity combined with a structural asymmetry, quantum nonlinearity, unidirectional gain and loss, chiral quantum states and valley polarization are overviewed. A general description of nonreciprocal systems is provided and the pros and cons of the mentioned approaches to nonreciprocity are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Kinetic simulations of ignited mode cesium vapor thermionic converters

Cesium vapor thermionic converters are an attractive method of converting high-temperature heat directly to electricity, but theoretical descriptions of the systems have been difficult due to the multi-step ionization of Cs through inelastic electron–neutral collisions. This work presents particle-in-cell simulations of these converters, using a direct simulation Monte Carlo collision model to track 52 excited states of Cs. Here, these simulations show the dominant role of multi-step ionization, which also varies significantly based on both the applied voltage bias and pressure. The electron energy distribution functions are shown to be highly non-Maxwellian in the cases analyzed here. A comparison with previous approaches is presented, and large differences are found in ionization rates due especially to the fact that previous approaches have assumed Maxwellian electron distributions. Finally, an open question regarding the nature of the plasma sheaths in the obstructed regime is discussed. The one-dimensional simulations did not produce stable obstructed regime operation and thereby do not support the double-sheath hypothesis.

30 DIRECT ENERGY CONVERSION↗
NASA NTRS1981

Direct conversion of light to radio frequency energy

A description is presented of the test results obtained with the latest models of the phototron. The phototron was conceived as a replacement for the high voltage solar cell-high power klystron combination for the solar power satellite concept. Physically, the phototron is a cylindrical evacuated glass tube with a photocathode, two grids, and a reflector electrode in a planar configuration. The phototron can be operated either in a biased mode where a low voltage is used to accelerate the electron beam produced by the photocathode or in an unbiased mode referred to as self-oscillation. The device is easily modulated by light input or voltage to broadcast in AM or FM. The range of operation of the present test model phototrons is from 2 to 200 MHz.

Freeman, J. W.↗
NASA NTRS2015

Thermodynamic Derivation of the Activation Energy for Ice Nucleation

Cirrus clouds play a key role in the radiative and hydrological balance of the upper troposphere. Their correct representation in atmospheric models requires an understanding of the microscopic processes leading to ice nucleation. A key parameter in the theoretical description of ice nucleation is the activation energy, which controls the flux of water molecules from the bulk of the liquid to the solid during the early stages of ice formation. In most studies it is estimated by direct association with the bulk properties of water, typically viscosity and self-diffusivity. As the environment in the ice-liquid interface may differ from that of the bulk, this approach may introduce bias in calculated nucleation rates. In this work a theoretical model is proposed to describe the transfer of water molecules across the ice-liquid interface. Within this framework the activation energy naturally emerges from the combination of the energy required to break hydrogen bonds in the liquid, i.e., the bulk diffusion process, and the work dissipated from the molecular rearrangement of water molecules within the ice-liquid interface. The new expression is introduced into a generalized form of classical nucleation theory. Even though no nucleation rate measurements are used to fit any of the parameters of the theory the predicted nucleation rate is in good agreement with experimental results, even at temperature as low as 190 K, where it tends to be underestimated by most models. It is shown that the activation energy has a strong dependency on temperature and a weak dependency on water activity. Such dependencies are masked by thermodynamic effects at temperatures typical of homogeneous freezing of cloud droplets; however, they may affect the formation of ice in haze aerosol particles. The new model provides an independent estimation of the activation energy and the homogeneous ice nucleation rate, and it may help to improve the interpretation of experimental results and the development of parameterizations for cloud formation.

Cirrus clouds↗
NASA NTRS1995

The second-moment climatology of the GATE rain rate data

The first part of this paper presents the description of the GARP (Global Atmospheric Research Program) Atlantic Tropical Experiment (GATE) 1 rain-rate data and its two-dimensional spectral and correlation characteristics, which has made it possible to accomplish the following: to show the concentration of a significant power along the frequency axis in the spatiotemporal spectra; to detect a diurnal cycle (which has a range of variation of about 3.4-5.4 mm/n) as one of the sources of bias in the rain statistics of satellite data; to study the distinction between the north-south and east-west transport of spatial rain-rate field and character of its anisotropy; to evaluate the scales of the distinction between second-moment estimates associated with ground and satellite samples; and to determine the appropriate spatial and temporal scales of simple linear stochastic models fitted to averaged rain-rate fields. The second part of this paper is devoted to an analysis of the diffusion of the rain rate by establishing a relationship between the parameters of the multivariate autoregressive model and the coefficients of a diffusion equation. This analysis led to the use of rain data to estimate the rain advection velocity as well as other coefficients of the diffusion equation of the corresponding field. The results obtained can be used for comparison with corresponding estimates of other sources of data (satellite, Tropical Oceans Global Atmosphere Coupled Ocean - Atmosphere Response Experiment (TOGA, COARE) or simulated by physical models), for generating multiple samples of any size, for solving the inverse problems of some of the hydrodynamic equations, and in some other areas of rain data analysis and modeling.

Polyak, Ilya↗
DOE OSTI2026

Unraveling Fundamental Activity–Stability Relationships in Rutile Oxides

The oxygen evolution reaction (OER) is a key anodic half-cell reaction that accompanies several critical electrochemical reduction reactions of interest to a variety of applications. Despite steady advances in understanding and qualitatively predicting OER activity and selectivity trends, a comprehensive description or prediction of material aqueous (in)stability and degradation mechanisms remains elusive, even though these processes critically influence device lifetime and economic feasibility. In this work, we investigate the interplay, or lack thereof, between OER activity and material aqueous stability across rutile oxides, with a particular focus on iridium oxide (IrO 2 ). By applying a Born–Haber cycle, we calculate the thermodynamic driving force for metal dissolution as a function of the applied bias and electrolyte conditions. We apply interpretable machine learning techniques, including principal component analysis and symbolic regression, to analyze trends across rutile oxides and find that key thermodynamic descriptors for OER activity and surface stability are only very weakly correlated. Instead, the local atomic environment─especially electronic structure signatures for interactions between the active site and its neighbors─plays a more important role in predicting material stability. Leveraging these insights, we investigate the impact of doping IrO 2 with a range of transition metals and show that the stability of Ir active sites can be tuned largely independently of its predicted OER activity. These insights lay the foundation for material design to improve stability with respect to corrosion, with the ultimate aim to enhance long-term stability without sacrificing catalytic performance in the OER.

evolution reactions↗
NASA NTRS2006

Cloud Radiative Forcing at the ARM Climate Research Facility: Technique, Validation, and Comparison to Satellite-derived Diagnostic Quantities - Part 1

It has been hypothesized that continuous ground-based remote sensing measurements from active and passive remote sensors combined with regular soundings of the atmospheric thermodynamic structure can be combined to describe the effects of clouds on the clear sky radiation fluxes. We critically test that hypothesis in this paper and a companion paper (Part II). Using data collected at the Southern Great Plains (SGP) Atmospheric Radiation Measurement (ARM) site sponsored by the U.S. Department of Energy, we explore an analysis methodology that results in the characterization of the physical state of the atmospheric profile at time resolutions of five minutes and vertical resolutions of 90 m. The description includes thermodynamics and water vapor profile information derived by merging radiosonde soundings with ground-based data, and continues through specification of the cloud layer occurrence and microphysical and radiative properties derived from retrieval algorithms and parameterizations. The description of the atmospheric physical state includes a calculation of the infrared and clear and cloudy sky solar flux profiles. Validation of the methodology is provided by comparing the calculated fluxes with top of atmosphere (TOA) and surface flux measurements and by comparing the total column optical depths to independently derived estimates. We find over a 1-year period of comparison in overcast uniform skies, that the calculations are strongly correlated to measurements with biases in the flux quantities at the surface and TOA of less than 10% and median fractional errors ranging from 20% to as low as 2%. In the optical depth comparison for uniform overcast skies during the year 2000 where the optical depth varies over 3 orders of magnitude we find a mean positive bias of 46% with a median bias of less than 10% and a 0.89 correlation coefficient. The slope of the linear regression line for the optical depth comparison is 0.86 with a normal deviation of 20% about this line. In addition to a case study where we examine the cloud radiative effects at the TOA, surface and atmosphere by a middle latitude synoptic-scale cyclone, we examine the cloud top pressure and optical depth retrievals of ISCCP and LBTM over a period of 1 year. Using overcast period from the year 2000, we find that the satellite algorithms tend to bias cloud tops into the middle troposphere and underestimate optical depth in high optical depth events (greater than 100) by as much as a factor of 2.

Mace, Gerald G.↗
NASA NTRS1972

High-sensitivity receiver for infrared laser communications.

Description of a high-sensitivity wide-bandwidth 10.6-micron heterodyne receiver for space and ground operational use. The receiver includes a cooled HgCdTe infrared mixer diode, a conical scanner for spatial tracking, an acquisition channel for spatial search and station alignment, and an automatic frequency-control channel to maintain a fixed laser frequency offset. The infrared mixer is designed to provide nearly quantum-noise-limited operation over an extended range of mixer temperature, bias voltage, and intermediate frequency. The resultant experimental receiver has a measured noise equivalent power of less than 10 to the minus 19th W/Hz over the 15- to 40-MHz i.f. band for mixer temperatures from 85 to 115 K, and less than 2 x 10 to the minus 19th W/Hz up to 140 K. Mixer 3-dB cutoff frequencies as high as 420 MHz were measured at a mixer temperature of 125 K. An analysis and engineering equations are given for receiver noise components, noise equivalent power, available mixer conversion gain, mixer transducer gain, and quantum-noise factor in terms of such factors as mixer parameters, quantum efficiency, mixer temperature, dynamic conductance, bias voltage, local oscillator power, and i.f. amplifier characteristics.

Peyton, B. J.↗
NASA NTRS2001

Application of Pressure-Based Wall Correction Methods to Two NASA Langley Wind Tunnels

This paper is a description and status report on the implementation and application of the WICS wall interference method to the National Transonic Facility (NTF) and the 14 x 22-ft subsonic wind tunnel at the NASA Langley Research Center. The method calculates free-air corrections to the measured parameters and aerodynamic coefficients for full span and semispan models when the tunnels are in the solid-wall configuration. From a data quality point of view, these corrections remove predictable bias errors in the measurement due to the presence of the tunnel walls. At the NTF, the method is operational in the off-line and on-line modes, with three tests already computed for wall corrections. At the 14 x 22-ft tunnel, initial implementation has been done based on a test on a full span wing. This facility is currently scheduled for an upgrade to its wall pressure measurement system. With the addition of new wall orifices and other instrumentation upgrades, a significant improvement in the wall correction accuracy is expected.

Iyer, V.↗