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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

AI-powered exploration of molecular vibrations, phonons, and spectroscopy

The vibrational dynamics of molecules and solids play a critical role in defining material properties, particularly their thermal behaviors. However, theoretical calculations of these dynamics are often computationally intensive, while experimental approaches can be technically complex and resource-demanding. Recent advancements in data-driven artificial intelligence (AI) methodologies have substantially enhanced the efficiency of these studies. This review explores the latest progress in AI-driven methods for investigating atomic vibrations, emphasizing their role in accelerating computations and enabling rapid predictions of lattice dynamics, phonon behaviors, molecular dynamics, and vibrational spectra. Key developments are discussed, including advancements in databases, structural representations, machine-learning interatomic potentials, graph neural networks, and other emerging approaches. Compared to traditional techniques, AI methods exhibit transformative potential, dramatically improving the efficiency and scope of research in materials science. The review concludes by highlighting the promising future of AI-driven innovations in the study of atomic vibrations.

Han, Bowen [Oak Ridge National Laboratory (ORNL), ↗
DOE OSTI2016

Magnetization enhancement due to incorporation of non-magnetic nitrogen content in (Co{sub 84}Zr{sub 16})N{sub x} nano-composite films

We report the magnetic, electronic, and structural properties of nano-composite (Co{sub 84}Zr{sub 16})N{sub x} or CZN films prepared by reactive co-sputter deposition method. As-deposited CZN films have shown enhancement in magnetization (M{sub s}) with incorporation of nitrogen content, which is related to the evolution of nano-composite phase. X-ray diffraction study has confirmed poly-crystalline growth of CZN films with fcc(331) and fcc(422) phases. High-resolution transmission electron microscope study reveals that CZN films are composed of ordered and crystalline ferromagnetic Co nano-clusters, which are embedded in the nano-composite matrix. Photoemission measurements show the change in the intensity near the Fermi level most likely due to defects and shift in the core-levels binding energy with nitrogen concentration. Raman spectroscopy data show an increase in the intensity of the Raman lines with nitrogen concentration upto 20%. However, the intensity is significantly lower for 30% sample. This indicates that less nitrogen or defect states are being substituted into the lattice above 20% and is consistent with the observed magnetic behavior. Our studies indicate that defects induced due to the incorporation of non-magnetic nitrogen content play a key role to enhance the magnetization.

36 MATERIALS SCIENCE↗
NASA NTRS2005

Generating Mosaics of Astronomical Images

"Montage" is the name of a service of the National Virtual Observatory (NVO), and of software being developed to implement the service via the World Wide Web. Montage generates science-grade custom mosaics of astronomical images on demand from input files that comply with the Flexible Image Transport System (FITS) standard and contain image data registered on projections that comply with the World Coordinate System (WCS) standards. "Science-grade" in this context signifies that terrestrial and instrumental features are removed from images in a way that can be described quantitatively. "Custom" refers to user-specified parameters of projection, coordinates, size, rotation, and spatial sampling. The greatest value of Montage is expected to lie in its ability to analyze images at multiple wavelengths, delivering them on a common projection, coordinate system, and spatial sampling, and thereby enabling further analysis as though they were part of a single, multi-wavelength image. Montage will be deployed as a computation-intensive service through existing astronomy portals and other Web sites. It will be integrated into the emerging NVO architecture and will be executed on the TeraGrid. The Montage software will also be portable and publicly available.

Bergou, Attila↗
NASA NTRS2016

Evaluation of the Validated Soil Moisture Product from the SMAP Radiometer

NASA's Soil Moisture Active Passive (SMAP) mission launched on January 31, 2015 into a sun-synchronous 6 am/6 pm orbit with an objective to produce global mapping of high-resolution soil moisture and freeze-thaw state every 2-3 days using an L-band (active) radar and an L-band (passive) radiometer. The SMAP radiometer began acquiring routine science data on March 31, 2015 and continues to operate nominally. SMAP's radiometer-derived soil moisture product (L2_SM_P) provides soil moisture estimates posted on a 36 km fixed Earth grid using brightness temperature observations from descending (6 am) passes and ancillary data. A beta quality version of L2_SM_P was released to the public in September, 2015, with the fully validated L2_SM_P soil moisture data expected to be released in May, 2016. Additional improvements (including optimization of retrieval algorithm parameters and upscaling approaches) and methodology expansions (including increasing the number of core sites, model-based intercomparisons, and results from several intensive field campaigns) are anticipated in moving from accuracy assessment of the beta quality data to an evaluation of the fully validated L2_SM_P data product.

Ocean Salinity↗
NASA NTRS2013

NASA's Genesis and Rapid Intensification Processes (GRIP) Field Experiment

In August–September 2010, NASA, NOAA, and the National Science Foundation (NSF) conducted separate but closely coordinated hurricane field campaigns, bringing to bear a combined seven aircraft with both new and mature observing technologies. NASA's Genesis and Rapid Intensification Processes (GRIP) experiment, the subject of this article, along with NOAA's Intensity Forecasting Experiment (IFEX) and NSF's Pre-Depression Investigation of Cloud-Systems in the Tropics (PREDICT) experiment, obtained unprecedented observations of the formation and intensification of tropical cyclones. The major goal of GRIP was to better understand the physical processes that control hurricane formation and intensity change, specifically the relative roles of environmental and inner-core processes. A key focus of GRIP was the application of new technologies to address this important scientific goal, including the first ever use of the unmanned Global Hawk aircraft for hurricane science operations. NASA and NOAA conducted coordinated flights to thoroughly sample the rapid intensification (RI) of Hurricanes Earl and Karl. The tri-agency aircraft teamed up to perform coordinated flights for the genesis of Hurricane Karl and Tropical Storm Matthew and the non-redevelopment of the remnants of Tropical Storm Gaston. The combined GRIP–IFEX–PREDICT datasets, along with remote sensing data from a variety of satellite platforms [Geostationary Operational Environmental Satellite (GOES), Tropical Rainfall Measuring Mission (TRMM), Aqua, Terra, CloudSat, and Cloud–Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO)], will contribute to advancing understanding of hurricane formation and intensification. This article summarizes the GRIP experiment, the missions flown, and some preliminary findings.

hurricane↗
DOE OSTI2021

Intact archeological human bones and age at death studied with transmission x–ray diffraction and small angle x–ray scattering

In this work, high-energy, wide-angle x-ray scattering (WAXS, x-ray diffraction) and small-angle x-ray scattering (SAXS) were used to study intact human second metacarpal bones (mc2) from two UK archeological sites. A novel method correcting for irregular mass distribution was applied in these transmission geometry experiments done at beamline 1-ID of the Advanced Photon Source. The authors asked whether there were age-at-death-related changes in carbonated apatite (cAp) lattice parameters and whether SAXS could detect collagen D-period peaks in the archeological mc2. For each of the two sites, Ancaster and Wharram Percy in England, six female mc2s were studied; for each site, two were from each of three age-at-death cohorts (young, 18-29 years; middle, 30-49 years; old >= 50 years) along with a modern control mc2. The Rietveld method was applied to the WAXS patterns to provide precise lattice parameter values. The cAp lattice parameters did not correlate with age-at-death estimated from dental wear. From WAXS and the 00.2 diffraction peak widths, four archeological mc2s possessed coherently scattering domain lengths (crystallite c-axis sizes) that matched that of the modern mc2; SAXS revealed the same four archeological mc2 had D-period peak intensities equivalent to that of the modern mc2. The other eight archeological mc2s had significantly larger crystallite sizes (than the modern mc2) and weak or absent D-period peaks, differences attributed to diagenetic changes. Based on these data, the authors suggest that WAXS 00.2 peak width and SAXS D-period peak intensity can be used with intact bones to select those likely to retain largely unaltered tissue nanostructure, which might be required for other analyses. Taken as a whole, the results suggest detecting age-related deterioration in nanostructural features may be difficult in bone showing significant bioerosion.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

A Review of Coastal Fog Microphysics During C-FOG

The goal of this paper is to provide an overview the coastal fog microphysical measurements and to evaluate microphysical parameterizations based on the C-FOG (Toward Improving Coastal Fog Prediction) field project. C-FOG is designed to advance understanding of liquid fog formation, development, and dissipation over coastal environments to improve fog predictability and monitoring. The project took place in Eastern Canada (Nova Scotia, NS and Newfoundland, NL) coastlines and open water environments during August-October of 2018 where environmental conditions play an important role for late season’s fog formation. Visibility (Vis), wind speed (Uh), and turbulence along coastlines are the most critical weather- related parameters affecting marine transportation and aviation. In the analysis, microphysical observations are summarized first and then they are, together with 3D wind components, used for fog intensity (visibility) evaluation. Results suggest that detailed microphysical observations collected at the supersites and aboard Research Vessel (RV) Hugh R. Sharp are useful to develop microphysical parameterizations. The fog life cycle and turbulence kinetic energy dissipation rate were strongly related to each other. The magnitude of 3D wind fluctuations was higher during the formation and dissipation stages. An array of cutting-edge instruments used for data collection provided new insight into the variability and intensity of fog (visibility) and microphysics. It is concluded that further improvements in microphysical observations and parameterizations are needed to improve fog predictability of NWP (Numerical Weather Prediction) models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2011

Spectroscopic Evidence of Keto-enol Tautomerism in Deliquesced Malonic Acid Particles

Scanning Transmission X-ray Microscopy combined with Near Edge X-ray Absorption Fine Structure Spectroscopy (STXM/NEXAFS), and optical microscopy coupled with Fourier Transform Infrared Spectroscopy (micro-FTIR) have been applied to observe hygroscopic growth and chemical changes in malonic acid particles deposited on substrates. Extent of the hygroscopic growth of particles has been quantified in terms of the corresponding water-to-solute ratios (WSR) based on STXM/NEXAFS and micro-FTIR data sets. WSR values derived separately from two applied methods displayed a remarkable agreement with previous data reported in the literature. Comparison of NEXAFS and FTIR spectra acquired at different relative humidity (RH) shows efficient keto-enol tautomerization of malonic acid, with the enol form dominated at higher RH. The keto-enol equilibrium constants were calculated using relevant peak intensities in the carbon and oxygen K-edge NEXAFS spectra as a function of RH.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Global warming and changes in drought

Several recently published studies have produced apparently conflicting results of how drought is changing under climate change. The reason is thought to lie in the formulation of the Palmer Drought Severity Index (PDSI) and the data sets used to determine the evapotranspiration component. Here, we make an assessment of the issues with the PDSI in which several other sources of discrepancy emerge, not least how precipitation has changed and is analysed. As well as an improvement in the precipitation data available, accurate attribution of the causes of drought requires accounting for natural variability, especially El Niño/Southern Oscillation effects, owing to the predilection for wetter land during La Niña events. Increased heating from global warming may not cause droughts but it is expected that when droughts occur they are likely to set in quicker and be more intense.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Signal evaluations using singular value decomposition for Thomson scattering diagnostics

This paper provides a novel method for evaluating signal intensities in incoherent Thomson scattering diagnostics. A double-pass Thomson scattering system, where a laser passes through the plasma twice, generates two scattering pulses from the plasma. Evaluations of the signal intensities in the spectrometer are sometimes difficult due to noise and stray light. We apply the singular value decomposition method to Thomson scattering data with strong noise components. Results show that the average accuracy of the measured electron temperature (T{sub e}) is superior to that of temperature obtained using a low-pass filter (<20 MHz) or without any filters.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2011

Single-crystal X-ray diffraction at megabar pressures and temperatures of thousands of degrees

The most reliable information about crystal structures and their response to changes in pressure and temperature is obtained from single-crystal diffraction experiments. We have developed a methodology to perform single-crystal X-ray diffraction experiments in laser-heated diamond anvil cells and demonstrate that structural refinements and accurate measurements of the thermal equation of state of metals, oxides and silicates from single-crystal intensity data are possible in pressures ranging up to megabars and temperatures of thousands of degrees. A new methodology was applied to solve the in situ high pressure, high temperature structure of iron oxide and study structural variations of iron and aluminum bearing silicate perovskite at conditions of the Earth's lower mantle.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Spatial nonuniformity of current flow and its consideration in determination of characteristics of surface illuminated InAsSbP/InAs-based photodiodes

Current-voltage characteristics of surface-irradiated photodiodes based on the InAsSbP/InAs structures are analyzed using experimental data on the distribution of electroluminescence intensity over the diode surface and taking into account thickening the current streamlines near the contacts. The influence of the potential barrier associated with the N-InAsSbP/n-InAs junction in double heterostructures on the differential resistance of diodes under zero bias, the value of the reverse current, and spreading of the forward current is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Studies of the Electromagnetic Structure of Mesons at Jefferson Lab

The Jefferson Laboratory Hall B PrimEx Collaboration is using tagged photons to perform an absolute 1.4% level cross section measurement of the photoproduction of neutral pions in the Coulomb field of a nucleus. The absolute cross section for this process is directly proportional to the neutral pion radiative decay width and consequently the uncertainty in the luminosity is directly reflected in the final error bar of the measurement. The PI has taken primary responsibility for the photon flux determination and in this technical report, we outline the steps taken to limit the uncertainty in the tagged photon flux to the 1% level. These include the use of a total absorption counter for absolute flux calibration, a pair spectrometer for online relative flux monitoring, and updated procedures for postbremsstrahlung electron counting. The photon tagging technique has been used routinely in its various forms to provide quasimonochromatic photons for absolute photonuclear cross section measurements. The analysis of such experiments in the context of bremsstrahlung photon tagging was summarized by Owens in 1990. Since then, a number of developments have made possible significant improvements in the implementation of this technique. Here, we describe the steps taken by the PrimEx Collaboration in Hall B of Jefferson Laboratory to limit the systematic uncertainty in the absolute photon flux to 1%. They include an absolute flux calibration at low intensity with a total absorption counter, online relative flux monitoring with a pair spectrometer, and the use of multihit time to digital converters for post bremsstrahlung electron counting during production data runs. While this discussion focuses on the analysis techniques utilized by the PrimEx Collaboration which involves a bremsstrahlung based photon tagging system to measure the neutral pion lifetime, the methods described herein readily apply to other types of photon tagging systems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2012

Application of Sleeper Cab Thermal Management Technologies to Reduce Idle Climate Control Loads in Long-Haul Trucks

Each intercity long-haul truck in the U.S. idles approximately 1,800 hrs per year, primarily for sleeper cab hotel loads. Including workday idling, over 2 billion gallons of fuel are used annually for truck idling. NREL's CoolCab project works closely with industry to design efficient thermal management systems for long-haul trucks that keep the cab comfortable with minimized engine idling andfuel use. The impact of thermal load reduction technologies on idle reduction systems were characterized by conducting thermal soak tests, overall heat transfer tests, and 10-hour rest period A/C tests. Technologies evaluated include advanced insulation packages, a solar reflective film applied to the vehicle's opaque exterior surfaces, a truck featuring both film and insulation, and abattery-powered A/C system. Opportunities were identified to reduce heating and cooling loads for long-haul truck idling by 36% and 34%, respectively, which yielded a 23% reduction in battery pack capacity of the idle-reduction system. Data were also collected for development and validation of a CoolCalc HVAC truck cab model. CoolCalc is an easy-to-use, simplified, physics-based HVAC loadestimation tool that requires no meshing, has flexible geometry, excludes unnecessary detail, and is less time-intensive than more detailed computer-aided engineering modeling approaches.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

Changes in Spatiotemporal Precipitation Patterns in Changing Climate Conditions

Climate models robustly imply that some significant change in precipitation patterns will occur. Models consistently project that the intensity of individual precipitation events increases by approximately 6-7%/K, following the increase in atmospheric water content, but that total precipitation increases by a lesser amount (2-3%/K in the global average). Some other aspect of precipitation events must then change to compensate for this difference. We develop here a new methodology for identifying individual rainstorms and studying their physical characteristics - including starting location, intensity, spatial extent, duration, and trajectory - that allows identifying that compensating mechanism. We apply this technique to precipitation over the contiguous U.S. from both radar-based data products and high-resolution model runs simulating 100 years of business-as-usual warming. In model studies, we find that the dominant compensating mechanism is a reduction of storm size. In summer, rainstorms become more intense but smaller; in winter, rainstorm shrinkage still dominates, but storms also become less numerous and shorter duration. These results imply that flood impacts from climate change will be less severe than would be expected from changes in precipitation intensity alone. We show also that projected changes are smaller than model-observation biases, implying that the best means of incorporating them into impact assessments is via "data-driven simulations" that apply model-projected changes to observational data. We therefore develop a simulation algorithm that statistically describes model changes in precipitation characteristics and adjusts data accordingly, and show that, especially for summertime precipitation, it outperforms simulation approaches that do not include spatial information.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Brillouin-Mandelstam spectroscopy of standing spin waves in a ferrite waveguide

This article reports results of experimental investigation of the spin wave interference over large distances in the Y 3 Fe 2 (FeO 4 ) 3 waveguide using Brillouin-Mandelstam spectroscopy. Two coherent spin waves are excited by the micro-antennas fabricated at the edges of the waveguide. The amplitudes of the input spin waves are adjusted to provide approximately the same intensity in the central region of the waveguide. The relative phase between the excited spin waves is controlled by the phase shifter. The change of the local intensity distribution in the standing spin wave is monitored using Brillouin-Mandelstam light scattering spectroscopy. Experimental data demonstrate the oscillation of the scattered light intensity depending on the relative phase of the interfering spin waves. The oscillations of the intensity, tunable via the relative phase shift, are observed as far as 7.5 mm away from the spin-wave generating antennas at room temperature. The obtained results are important for developing techniques for remote control of spin currents, with potential applications in spin-based memory and logic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Bunch mode specific rate corrections for PILATUS3 detectors

PILATUS X-ray detectors are in operation at many synchrotron beamlines around the world. This article reports on the characterization of the new PILATUS3 detector generation at high count rates. As for all counting detectors, the measured intensities have to be corrected for the dead-time of the counting mechanism at high photon fluxes. The large number of different bunch modes at these synchrotrons as well as the wide range of detector settings presents a challenge for providing accurate corrections. To avoid the intricate measurement of the count rate behaviour for every bunch mode, a Monte Carlo simulation of the counting mechanism has been implemented, which is able to predict the corrections for arbitrary bunch modes and a wide range of detector settings. This article compares the simulated results with experimental data acquired at different synchrotrons. It is found that the usage of bunch mode specific corrections based on this simulation improves the accuracy of the measured intensities by up to 40% for high photon rates and highly structured bunch modes. For less structured bunch modes, the instant retrigger technology of PILATUS3 detectors substantially reduces the dependency of the rate correction on the bunch mode. The acquired data also demonstrate that the instant retrigger technology allows for data acquisition up to 15 million photons per second per pixel.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Satellite Sounder Observations of Contrasting Tropospheric Moisture Transport Regimes: Saharan Air Layers, Hadley Cells, and Atmospheric Rivers

This paper examines the performance of satellite sounder atmospheric vertical moisture proles (AVMP) under tropospheric conditions encompassing moisture contrasts driven by convection and advection transport mechanisms, specifically Atlantic Ocean Saharan air layers (SALs) and Pacific Ocean moisture conveyer belts (MCBs) commonly referred to as atmospheric rivers (ARs), both of these being mesoscale to synoptic meteorological phenomena within the vicinity of subtropical Hadley subsidence zones. Operational AVMP environmental data records retrieved from the Suomi National Polar-orbiting Partnership (SNPP) NOAA-Unique Combined Atmospheric Processing System (NUCAPS) are collocated with dedicated radiosonde observations (RAOBs) obtained from ocean-based intensive field campaigns; these RAOBs provide uniquely independent correlative truth data not assimilated into numerical weather prediction models for satellite sounder validation over open ocean. Using these marine-based data, we empirically assess the performance of the operational NUCAPS AVMP product for detecting and resolving these tropospheric moisture features over otherwise RAOB-sparse regions.

54 ENVIRONMENTAL SCIENCES↗