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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 451 records · Page 25

Deep-learning-derived planetary boundary layer height from conventional meteorological measurements

Abstract. The planetary boundary layer (PBL) height (PBLH) is an important parameter for various meteorological and climate studies. This study presents a multi-structure deep neural network (DNN) model, which can estimate PBLH by integrating the morning temperature profiles and surface meteorological observations. The DNN model is developed by leveraging a rich dataset of PBLH derived from long-standing radiosonde records augmented with high-resolution micro-pulse lidar and Doppler lidar observations. We access the performance of the DNN with an ensemble of 10 members, each featuring distinct hidden-layer structures, which collectively yield a robust 27-year PBLH dataset over the southern Great Plains from 1994 to 2020. The influence of various meteorological factors on PBLH is rigorously analyzed through the importance test. Moreover, the DNN model's accuracy is evaluated against radiosonde observations and juxtaposed with conventional remote sensing methodologies, including Doppler lidar, ceilometer, Raman lidar, and micro-pulse lidar. The DNN model exhibits reliable performance across diverse conditions and demonstrates lower biases relative to remote sensing methods. In addition, the DNN model, originally trained over a plain region, demonstrates remarkable adaptability when applied to the heterogeneous terrains and climates encountered during the GoAmazon (Green Ocean Amazon; tropical rainforest) and CACTI (Cloud, Aerosol, and Complex Terrain Interactions; middle-latitude mountain) campaigns. These findings demonstrate the effectiveness of deep learning models in estimating PBLH, enhancing our understanding of boundary layer processes with implications for improving the representation of PBL in weather forecasting and climate modeling.

54 ENVIRONMENTAL SCIENCES↗

The Effect of Film Composition on the Texture and Grain Size of CuInS2 Prepared by Spray Pyrolysis

Ternary single-source precursors were used to deposit CuInS2 thin films using chemical spray pyrolysis. We investigated the effect of the film composition on texture, secondary phase formation, and grain size. As-grown films were most often In-rich. They became more (204/220)-oriented as indium concentration increased, and always contained a yet unidentified secondary phase. The (112)-prefened orientation became more pronounced as the film composition became more Cu-rich. The secondary phase was determined to be an In-rich compound based on composition analysis and Raman spectroscopy. In addition, as-grown Cu-rich (112)-oriented films did not exhibit the In-rich compound. Depositing a thin Cu layer prior to the growth of CuInS2 increased the maximum grain size from - 0.5 micron to - 1 micron, and prevented the formation of the In-rich secondary phase.

Jin, Michael H.↗

Measurement and modeling of moist processes

The keynote talk summarized five years of work simulating observed mesoscale convective systems with the RAMS (Regional Atmospheric Modeling System) model. Excellent results are obtained when simulating squall line or other convective systems that are strongly forced by fronts or other lifting mechanisms. Less highly forced systems are difficult to model. The next topic in this colloquium was measurement of water vapor and other constituents of the hydrologic cycle. Impressive accuracy was shown measuring water vapor with both the airborne DIAL (Differential Absorption Lidar) system and the the ground-based Raman Lidar. NMC's plans for initializing land water hydrology in mesoscale models was presented before water vapor measurement concepts for GCIP were discussed. The subject of using satellite data to provide mesoscale moisture and wind analyses was next. Recent activities in modeling of moist processes in mesoscale systems was reported on. These modeling activities at the Canadian Atmospheric Environment Service (AES) used a hydrostatic, variable-resolution grid model. Next the spatial resolution effects of moisture budgets was discussed; in particular, the effects of temporal resolution on heat and moisture budgets for cumulus parameterization. The conclusion of this colloquium was on modeling scale interaction processes.

Cotton, William↗

Evaluation of the OMI Cloud Pressures Derived from Rotational Raman Scattering by Comparisons with other Satellite Data and Radiative Transfer Simulations

In this paper we examine differences between cloud pressures retrieved from the Ozone Monitoring Instrument (OMI) using the ultraviolet rotational Raman scattering (RRS) algorithm and those from the thermal infrared (IR) Aqua/MODIS. Several cloud data sets are currently being used in OMI trace gas retrieval algorithms including climatologies based on IR measurements and simultaneous cloud parameters derived from OMI. From a validation perspective, it is important to understand the OMI retrieved cloud parameters and how they differ with those derived from the IR. To this end, we perform radiative transfer calculations to simulate the effects of different geophysical conditions on the OMI RRS cloud pressure retrievals. We also quantify errors related to the use of the Mixed Lambert-Equivalent Reflectivity (MLER) concept as currently implemented of the OMI algorithms. Using properties from the Cloudsat radar and MODIS, we show that radiative transfer calculations support the following: (1) The MLER model is adequate for single-layer optically thick, geometrically thin clouds, but can produce significant errors in estimated cloud pressure for optically thin clouds. (2) In a two-layer cloud, the RRS algorithm may retrieve a cloud pressure that is either between the two cloud decks or even beneath the top of the lower cloud deck because of scattering between the cloud layers; the retrieved pressure depends upon the viewing geometry and the optical depth of the upper cloud deck. (3) Absorbing aerosol in and above a cloud can produce significant errors in the retrieved cloud pressure. (4) The retrieved RRS effective pressure for a deep convective cloud will be significantly higher than the physical cloud top pressure derived with thermal IR.

Vasilkov, Alexander↗

Scaled-up fabrication of durable and porous adsorbent-coated minichannels on aluminum for CO 2 separation

A method was developed to fabricate zeolite 13X adsorbent-coated minichannels on aluminum for CO₂ adsorption applications in this study. It emphasizes the innovative use of aluminum as a substrate, which offers airtight assembly, paving the way for highly efficient adsorption systems. An optimized coating process was developed using a slurry of Zeolite 13X, yeast, sugar, and xanthan gum, resulting in durable and highly porous layers that enhance CO₂ capture performance. A PETG peeler was designed to remove the top layer of the yeast-engineered adsorbent coatings, revealing a super porous and foamy structure. The teeth of the peeler were designed and fabricated for high repeatability and rapid prototyping. Breakthrough experiments were conducted on the scaled-up adsorbent bed using gas mixtures of 80% CO₂, 20% N₂, and 20% CO₂, 80% N₂ to represent different industrial scenarios. The performance of the bed was evaluated at flow rates of 160 and 190 cm³ min -1 using a Raman Laser Gas Analyzer (RLGA), demonstrating stable adsorption without degradation across multiple cycles. Computational modeling of integral transport phenomena under the chosen experimental conditions was pursued using gPROMS ProcessBuilder™, and the modeling results were compared with those from the tests for adsorption time, which resulted in an error margin of 2% to 9% for the breakthrough time, confirming the easy reproducibility of the design through modeling. This research advances CO₂ capture technologies by providing an effective and scalable solution for producing aluminum-based adsorbent coated beds, supporting industrial carbon capture efforts.

CO2 capture↗

Remote sensing of planetary boundary layer from ground and space: Structure, thermodynamics, and boundary layer clouds

The planetary boundary layer (PBL) is a critical interface between Earth's surface and atmosphere, influencing atmospheric convection, weather patterns, and air quality. Recognized by the 2017 National Academies of Sciences, Engineering, and Medicine Earth Science Decadal Survey as an Incubation Targeted Observable, high-quality and effective observation of the PBL has become a priority. This paper reviews surface-based and satellite remote sensing techniques for characterizing PBL features, including PBL height (PBLH), boundary layer thermodynamics, turbulence, and boundary layer clouds (BLCs). These elements are treated as interconnected aspects of the PBL system, while recognizing that different instruments retrieve different physical manifestations of the PBL. The review summarizes recent advances and limitations in Micro-Pulse Lidar (MPL), Doppler lidar, Raman lidar, Differential Absorption Lidar (DIAL), ceilometers, wind profilers, GNSS Radio Occultation, radar, and hyperspectral sounders. These observations help trace dynamic processes within the PBL and link PBL structure to broader weather and climate processes. The review also highlights persistent observational gaps over oceans, remote land, and polar regions, where continuous surface-based profiling is sparse. By comparing instrument capabilities, practical limitations, and interpretation issues, this review emphasizes the need for integrated remote sensing approaches and careful definition of the retrieved PBL quantities.

Boundary layer clouds↗

Floquet engineering of polaritonic amplification in dispersive photonic time crystals

In this study, we investigate the dynamics of dispersive photonic time crystals (PTCs) and their potential applications for controlling light-matter interaction. Using the Lorentz-Drude as dispersive material model, we analyze the effects of periodic modulation of dispersion parameters through both theoretical and numerical analysis, revealing the emergence of hybrid bandgaps from the interaction of polaritonic branches with distinctive characteristics. Our study demonstrates that dispersive PTCs offer novel excitation channels and amplification possibilities, that require lower modulation frequencies compared to nondispersive systems thus alleviating experimental challenges for the realization of PTCs in the optical regime. These findings pave the way for advancements in polaritonic lasing and resonant Raman scattering.

Classical optics↗

Nanotube Activities at NASA-Johnson Space Center

Nanotube activities at NASA-Johnson Space Center include production, purification, characterization as well as applications of single wall carbon nanotubes (SWCNTs). A parametric study of the pulsed laser ablation process is recently completed to monitor the effect of production parameters including temperature, buffer gas, flow rate, pressure, and laser fluence. Enhancement of production is achieved by rastering the graphite target and by increasing the target surface temperature with a cw laser. In-situ diagnostics during production included time resolved passive emission and laser induced fluorescence from the plume. The improvement of the purity by a variety of steps in the purification process is monitored by characterization techniques including SEM, TEM, Raman, UV-VIS-NIR and TGA. A recently established NASA-JSC protocol for SWCNT characterization is undergoing revision with feedback from nanotube community. Efforts at JSC over the past five years in composites have centered on structural polymer/nanotube systems. Recent activities broadened this focus to multifunctional materials, supercapacitors, fuel cells, regenerable CO2 absorbers, electromagnetic shielding, radiation dosimetry and thermal management systems of interest for human space flight. Preliminary tests indicate improvement of performance in most of these applications because of the large Surface area as well as high electrical and thermal conductivity exhibited by SWCNTs. Comparison with existing technologies and possible future improvements in the SWCNT materials sill be presented.

Arepalli, Sivaram↗

Effects of Surface Treatments on Secondary Electron Emission from CVD Diamond Films

Secondary electron emission (SEE) properties of polycrystalline diamond films grown by chemical vapor deposition (CVD) were measured. The total secondary yield (sigma) from as-grown samples was observed to be as high as 20 at room temperature and 48 while heating at 700 K in vacuum. Electron-beam-activated, alkali-terminated diamond films have shown stable values of sigma as high as 60 when coated with CsI and similarly high values when coated with other alkali halides. Diamond coated with BaF2 had a stable sigma of 6, but no enhancement of the SEE properties was observed with coatings of Ti or Au. Hydrogen was identified to give rise to this effect in as-grown films. However, electron beam exposure led to a reduction in sigma values as low as 2. Exposure to a molecular hydrogen environment restored sigma to its original value after degradation, and enabled stable secondary emission during electron beam exposure. Atomic hydrogen and hydrogen plasma treatments were performed on diamond/Mo samples in an attempt to increase the near-surface hydrogen concentration which might lead to increased stability in the secondary emission. Raman scattering analysis, scanning electron microscopy, and Auger electron spectroscopy (AES) confirmed that hydrogen plasma and atomic hydrogen treatments improved the quality of the CVD diamond significantly. Elastic recoil detection (ERD) showed that heating as-grown diamond targets to 7OO K, which was correlated with an increase in sigma, removed contaminants from the surface but did not drive hydrogen from the diamond bulk. ERD showed that the hydrogen plasma treatment produced an increase in the hydrogen concentration in the near-surface region which did not decrease while heating in vacuum at 700 K, but no improvement in the SEE properties was observed.

Mearini, G. T.↗

Effect of Ambient Organic Acids on the Water Structure at ${\rm TiO}_{2}$ Interfaces

A molecular-level understanding of the effects of ambient organic compounds on the wettability of titanium dioxide ( ${\rm TiO}_{2}$ ) surfaces is relevant to many of its energy-related and environmental applications. Herein, we focus on two common atmospheric carboxylic acids, formic and acetic acid, and characterize their adsorption/ desorption at the aqueous interfaces of anatase and rutile ${\rm TiO}_{2}$ using molecular dynamics with an ab initio deep neural network potential. Our simulations show that these acids prefer to be localized in the interfacial water layers close to the ${\rm TiO}_{2}$ surface where they are stabilized by the interaction/exchange of their acid proton with a surface oxygen, rather than chemisorb at the surface Ti sites by displacing the adsorbed water. Notably, these acids make the surface of anatase hydrophobic, whereas the larger fraction of adsorbed water dissociation can offset their effect on rutile. Furthermore, these results provide a picture where carboxylic acids control the wettability of ${\rm TiO}_{2}$ largely through acid-base chemistry at the interface rather than chemisorption on the oxide surface, a finding that can help improve the design of self-cleaning surfaces and photocatalytic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of Forcing Function on Nonlinear Acoustic Standing Waves

Nonlinear acoustic standing waves of high amplitude have been demonstrated by utilizing the effects of resonator shape to prevent the pressure waves from entering saturation. Experimentally, nonlinear acoustic standing waves have been generated by shaking an entire resonating cavity. While this promotes more efficient energy transfer than a piston-driven resonator, it also introduces complicated structural dynamics into the system. Experiments have shown that these dynamics result in resonator forcing functions comprised of a sum of several Fourier modes. However, previous numerical studies of the acoustics generated within the resonator assumed simple sinusoidal waves as the driving force. Using a previously developed numerical code, this paper demonstrates the effects of using a forcing function constructed with a series of harmonic sinusoidal waves on resonating cavities. From these results, a method will be demonstrated which allows the direct numerical analysis of experimentally generated nonlinear acoustic waves in resonators driven by harmonic forcing functions.

Finkheiner, Joshua R.↗

Manipulating Ferroelectric Topological Polar Structures with Twisted Light

Abstract The dynamic control of non‐equilibrium states represents a central challenge in condensed matter physics. While intense terahertz fields drive metal‐insulator transitions and ferroelectricity via soft phonon modes, recent theory suggests that twisted light with orbital angular momentum (OAM) offers a distinct route to manipulate ferroelectric order and stabilize topological excitations including skyrmions, vortices, and Hopfions. Control of ferroelectric polarization in quasi‐2D CsBiNb 2 O 7 (CBNO) is demonstrated using non‐resonant twisted ultra‐violet (UV) light (375 nm, 800 THz). Combining in situ X‐ray Bragg coherent diffractive imaging (BCDI), twisted optical Raman spectroscopy, and density functional theory (DFT), three‐dimensional (3D) ionic displacements, strain fields, and polarization changes are resolved in single crystals. Operando measurements reveal light‐induced strain hysteresis under twisted light–a hallmark of nonlinear, history‐dependent ferroelastic switching driven by OAM. Discrete, irreversible domain transitions emerge as the topological charge ℓ is cycled, stabilizing non‐trivial domain textures including vortex‐antivortex pairs, Bloch/anti‐Bloch points, and merons. These persist after OAM removal, indicating a memory effect. Competing mechanisms are discussed, including multiphoton absorption, strain‐mediated polarization switching, and defect‐wall interactions. The findings establish structured light as a tool for deterministic, reversible control of ferroic states, enabling optically reconfigurable non‐volatile devices.

Chemistry↗

Evaluate opportunities for monitoring the oxidation states of technetium in both organic and aqueous phases using Raman spectroscopy

An important isotope in the nuclear fuel cycle, 99 Tc is characterized by its long half-life of 2.1 × 10 5 years and its beta emission. It is generated through the fission of 235 U. As the burnup levels of nuclear waste continue to rise, the concentration of technetium in spent fuel increases, leading to a heightened interest in its quantification during the reprocessing of spent nuclear fuel. In HNO3 environments, technetium predominantly exists as TcO 4 − ; however, it tends to interfere with reducing agents, decreasing the separation efficiency for actinides. Therefore, accurate quantitative determination of technetium is critical to controlling its distribution and mitigating its negative effect on the reprocessing of spent fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Analysis of torsional spectra of molecules with two internal C3v rotors. IX - The torsional potential functions of isobutene-d0 and -d6

Raman spectra of gaseous isobutene (CH3)2C=CH2 and isobutene-d6 have been recorded between 100 and 500/cm with a resolution of 1/cm, and the far-IR spectra of the same compounds have been recorded over the same frequency range with a resolution of 0.5/cm. Several torsional transitions have been observed for both molecules and these data have been used to determine the torsional potential function based on a semirigid model. Values of average effective barrier were determined for the molecules.

Durig, J. R.↗

A theoretical study of the low-lying states of Ti2 and Zr2

The low-lying states of Ti2 and the valence isoelectronic Zr2 are examined theoretically by means of a multireference configuration-interaction (MRCI) method. MRCI calculations demonstrate that two of the Zr2 states are very low-lying and that the resulting vertical excitation is consistent with the optical spectrum of Zr2. The ground state is predicted for Ti2 on the basis of valence correlation with the MRCI method and the average coupled-pair functional technique. Calculations of the inner-shell correlation effects are estimated and found to lower the 3Delta g state to a ground state, and another to a very low-lying state. The ground state of Ti2 is assigned to 3Delta g since it is lower than the other state at all levels of correlation and is derived from the same atomic asymptote. This conclusion is supported by the lack of an electron-spin resonance signal but contradicts the absence of subcomponents on the Raman spectral lines.

Bauschlicher, Charles W., Jr.↗

Optical Characterization of Fuel Injection in a Flame Tube Combustor Using a GE TAPS Injector Configuration

This paper presents results in which we compare fuel staging and its effect on fuel spray pattern, velocity and speciation during combustion for several inlet conditions using a GE TAPS injector configuration. Planar laser-induced fluorescence (PLIF), particle image velocimetry (PIV) and phase Doppler interferometry (PDI) were used to investigate spray patterns and velocity. The 2D PIV provides slices in the flow of axial-vertical or axial horizontal velocity components. With 3D PDI, we obtained 3 components of velocity, and fuel drop sizes. Chemiluminescence imaging and spontaneous Raman scattering (SRS) were used to investigate flame structure, species location and relative species concentration. Phase Doppler and PIV data were acquired using scatter from fuel droplets; therefore, those data were obtained only at the pilot-only test points. Raman measurements were acquired only at 10/90 split points to avoid droplets.

optical diagnostics↗

Flame Tube Testing of a GEA TAPS Injector: Effects of Fuel Staging on Combustor Fuel Spray Patterns, Flow Structure, and Speciation

This paper presents results in which we compare fuel staging and its effect on fuel spray pattern, velocity and speciation during combustion for several inlet conditions using a GE TAPS injector configuration. Planar laser-induced fluorescence (PLIF), particle image velocimetry (PIV) and phase Doppler interferometry (PDI) were used to investigate spray patterns and velocity. The 2D PIV provides slices in the flow of axial-vertical or axial horizontal velocity components. With 3D PDI, we obtained 3 components of velocity, and fuel drop sizes. Chemiluminescence imaging and spontaneous Raman scattering (SRS) were used to investigate flame structure, species location and relative species concentration. Phase Doppler and PIV data were acquired using scatter from fuel droplets; therefore, those data were obtained only at the pilot-only test points. Raman measurements were acquired only at 10/90 split points to avoid droplets.

GE TAPS↗

Distributed Fiber Optic Sensing for in-well hydraulic fracture monitoring

This study presents the results from in-well hydraulic fracture monitoring within a horizontal well in an unconventional reservoir utilizing Distributed Fiber Optic Sensing (DFOS). An in-house-developed Brillouin-based Distributed Strain Sensing (DSS) interrogator was deployed to obtain strain measurements, complemented by a commercial Raman-based Distributed Temperature Sensing (DTS) interrogator for temperature measurements and a commercial Rayleigh-based Low-Frequency Distributed Acoustic Sensing (LF-DAS) interrogator for strain-rate measurements. Examined over a ten-day period, the spatio-temporal distribution of temperature-compensated strain obtained from DSS and DTS revealed distinct signatures of the multi-stage hydraulic fracturing process. These signatures were analyzed with respect to fracture width growth and closure, residual strain effects, and fracture conductivity near the wellbore. Fracture widths within the fracture zone were estimated for individual stages. The findings were assessed with LF-DAS measurements for further evaluation. This work integrates DFOS-measured strain, temperature, and strain-rate data for monitoring in-well hydraulic fracturing, with the goal of supporting future studies in interpreting DFOS measurements for improved understanding of hydraulic fracturing in unconventional reservoirs.

58 GEOSCIENCES↗