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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Numerical Simulations of Time-Resolved Photoluminescence in CdSexTe1-x/CdTe Solar Cells

We present initial time-resolved photoluminescence (TRPL) simulations in graded CdSexTe1-e thin-film solar cells to quantify the front-interface recombination velocity, S int,front . Our model includes several composition dependences: bandgap energy, absorption coefficient, electron affinity, and carrier lifetime. Cathodoluminescence spectrum imaging measurements on bevels provide an estimate of the bandgap and the CdSe x Te 1-x alloy composition through the absorber thickness. TRPL decays are simulated as a function of the laser power, S int,front , front-interface band offset, and bulk Shockley-Read-Hall lifetime. We find the impact of S intf,ront on the PL decay increases as the band offset shifts from a "spike" to a "cliff". Recombination rate analysis shows that back-interface recombination could potentially dictate the later part of the TRPL decay "t 2" in high-lifetime CdSe x Te 1-x cells. We briefly discuss ongoing work to determine TRPL measurement conditions that maximize sensitivity to S itnt,front.

CdTe solar cells↗
DOE OSTI2021

Depth-resolved cathodoluminescence and surface photovoltage spectroscopies of gallium vacancies in β-Ga 2 O 3 with neutron irradiation and forming gas anneals

The gallium vacancy is one of the dominant native point defects in β-Ga 2 O 3 , one that, together with its complexes, can have a major effect on free carrier densities and transport in this wide bandgap semiconductor. We used a combination of depth-resolved cathodoluminescence spectroscopy and surface photovoltage spectroscopy to identify the optical and energy-level properties of these defects as well as how their defect densities and spatial distributions vary with neutron irradiation and temperature-dependent-forming gas anneals. These studies reveal optical signatures that align closely with theoretical energy-level predictions. Likewise, our optical techniques reveal variations in these defect densities that are consistent with hydrogen passivation of gallium vacancies as a function of temperature and depth from the free Ga 2 O 3 surface. These techniques can help guide the understanding and control of dominant native point defects in Ga 2 O 3 .

42 ENGINEERING↗
DOE OSTI2019

Digital Time-Resolved Spot Diagnostic

The digital time-resolved spot diagnostic (D-TRSD) is intended to be a fast-response, time-dependent beam diagnostic for measuring the spot size emitted from radiographic x-ray sources. It will measure spot sizes from submillimeters up to several millimeters for photon energies in the range of 150 keV to 20 MeV with doses as low as 0.03 rad up to 500 rad. The D-TRSD performs fast data acquisition as radiographic x-ray sources typically produce pulses in the tens of nanosecond ranges. The system will be optimized to capture multiple individual pulses in time within the same data record. The data collected will be used to support beam tuning and source optimization with on-the-fly evaluation of radiographic source performance. The diagnostic is based on penumbral imaging techniques. A scintillating fiber array of parallel aligned fibers is positioned in the beam path with a high-Z rolled edge inserted between the source and the array, thereby creating the penumbral x-ray signal that is captured by the D-TRSD system. The light from the scintillation conversion is recorded by individual avalanche photodiode detectors integrated into custom digitizer electronics. The penumbra is used to calculate the spot of the beam on the axis orthogonal to the fiber array based on the magnification from the rolled edge, the resolution of the spaced fibers, and the rotation of the array normal to the beam path. Many arrays can be used to capture additional spot widths about different rotations. The D-TRSD system is modular, software-driven, and easier to use than legacy TRSD systems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Analysis of Cloud-Resolving Model Simulations for Scale Dependence of Convective Momentum Transport

Abstract We use 3D cloud-resolving model (CRM) simulations of two mesoscale convective systems at midlatitudes and a simple statistical ensemble method to diagnose the scale dependency of convective momentum transport (CMT) and CMT-related properties and evaluate a parameterization scheme for the convection-induced pressure gradient (CIPG) developed by Gregory et al. Gregory et al. relate CIPG to a constant coefficient multiplied by mass flux and vertical mean wind shear. CRM results show that mass fluxes and CMT exhibit strong scale dependency in temporal evolution and vertical structure. The upgradient–downgradient CMT characteristics for updrafts are generally similar between small and large grid spacings, which is consistent with previous understanding, but they can be different for downdrafts across wide-ranging grid spacings. For the small to medium grid spacings (4–64 km), Gregory et al. reproduce some aspects of CIPG scale dependency except for underestimating the variations of CIPG as grid spacing decreases. However, for large grid spacings (128–512 km), Gregory et al. might even less adequately parameterize CIPG because it omits the contribution from either the nonlinear-shear or the buoyancy forcings. Further diagnosis of CRM results suggests that inclusion of nonlinear-shear forcing in Gregory et al. is needed for the large grid spacings. For the small to median grid spacings, a modified Gregory et al. with the three-updraft approach help better capture the variations of CIPG as grid spacing decreases compared to the single updraft approach. Further, the optimal coefficients used in Gregory et al. seem insensitive to grid spacings, but they might be different for updrafts and downdrafts, for different MCS types, and for zonal and meridional components.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

An Evaluation of Size-Resolved Cloud Microphysics Scheme Numerics for Use with Radar Observations. Part I: Collision–Coalescence

This study evaluates some available schemes designed to solve the stochastic collection equation (SCE) for collision–coalescence of hydrometeors using a size-resolved (bin) microphysics approach and documents their numerical properties within the framework of a box model. Comparing three widely used SCE schemes, we find that all converge to almost identical solutions at sufficiently fine mass grids. However, one scheme converges far slower than the other two and shows pronounced numerical diffusion at the large-drop tail of the size distribution. One of the remaining two schemes is recommended on the basis that it is well converged on a relatively coarse mass grid, stable for large time steps, strictly mass conservative, and computationally efficient. To examine the effects of SCE scheme choice on simulating clouds and precipitation, two of the three schemes are compared in large-eddy simulations of a drizzling stratocumulus field. A forward simulator that produces Doppler spectra from the large-eddy simulation results is used to compare the model output directly with radar observations. The scheme with pronounced numerical diffusion predicts excessively large mean Doppler velocities and overly broad and negatively skewed spectra compared with observations, consistent with numerical diffusion demonstrated in the box model. Statistics obtained using the recommended scheme are closer to observations, but notable differences remain, indicating that factors other than SCE scheme accuracy are limiting simulation fidelity.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

The Role of Multiscale Interaction in Tropical Cyclogenesis and Its Predictability in Near-Global Aquaplanet Cloud-Resolving Simulations

Tropical cyclogenesis (TCG) is a multiscale process that involves interactions between large-scale circulation and small-scale convection. A near-global aquaplanet cloud-resolving model (NGAqua) with 4-km horizontal grid spacing that produces tropical cyclones (TCs) is used to investigate TCG and its predictability. This study analyzes an ensemble of three 20-day NGAqua simulations, with initial white-noise perturbations of low-level humidity. TCs develop spontaneously from the northern edge of the intertropical convergence zone (ITCZ), where large-scale flows and tropical convection provide necessary conditions for barotropic instability. Zonal bands of positive low-level absolute vorticity organize into cyclonic vortices, some of which develop into TCs. A new algorithm is developed to track the cyclonic vortices. A vortex-following framework analysis of the low-level vorticity budget shows that vertical stretching of absolute vorticity due to convective heating contributes positively to the vorticity spinup of the TCs. A case study and composite analyses suggest that sufficient humidity is key for convective development. TCG in these three NGAqua simulations undergoes the same series of interactions. The locations of cyclonic vortices are broadly predetermined by planetary-scale circulation and humidity patterns associated with ITCZ breakdown, which are predictable up to 10 days. Whether and when the cyclonic vortices become TCs depend on the somewhat more random feedback between convection and vorticity.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Cloud-Resolving ICON Simulations of Secondary Ice Production in Arctic Mixed-Phase Stratocumuli Observed during M-PACE

Field measurements and modeling studies suggest that secondary ice production (SIP) may close the gap between observed Arctic ice nucleating particle (INP) concentrations and ice crystal number concentrations ni. Here, we explore sensitivities with respect to the complexity of different INP parameterizations under the premise that ni is governed by SIP. Idealized, cloud-resolving simulations are performed for the marine cold air outbreak cloud deck sampled during the Mixed-Phase Arctic Cloud Experiment (M-PACE) with the Icosahedral Nonhydrostatic (ICON) model. The impact of the droplet shattering (DS) of raindrops and collisional breakup (BR) in addition to the existing Hallet–Mossop rime splintering mechanism were investigated. Overall, 12 different model experiments (12-h runs) were performed and analyzed. Despite the considerable amount of uncertainty remaining with regard to SIP mechanisms and their process representation in numerical models, we conclude from these experiments that (i) only simulations where DS dominates the SIP signal (potentially amplified by BR) capture observed ice-phase and liquid-phase cloud properties, and (ii) SIP events cluster around the convective outflow region and are structurally linked to mesoscale cloud organization. In addition, interactions with primary nucleation parameterizations of varied complexity were investigated. Here, our simulations show that (i) a stable long-lived mixed-phase cloud (MPC) can be maintained in the absence of primary nucleation once SIP is established, (ii) experiments using a computationally more efficient relaxation-based parameterization of primary nucleation are statistically invariant from simulations considering prognostic INP, and (iii) primary nucleation at cloud-top controls the areal extent of the mixed-phase cloud region, and reduces SIP efficacy via DS due to increased depletion of cloud liquid throughout the entire cloud column.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Temperatures of Anvil Clouds and Radiative Tropopause in a Wide Array of Cloud-Resolving Simulations

Here, we present 123 cloud-resolving simulations to study how temperatures of anvil clouds and radiative tropopause (RT) change with surface warming. Our simulation results show that the RT warms at approximately the same rate as anvil clouds. This relationship persists across a variety of modeling choices, including surface temperature, greenhouse gas concentration, and the representation of radiative transfer. We further show that the shifting ozone profile associated with climate warming may give rise to a fixed RT temperature as well as a fixed anvil temperature. This result points to the importance of faithful treatment of ozone in simulating clouds and climate change; the robust anvil–RT relationship may also provide alternative ways to understand what controls anvil temperature.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Examining Cloud Feedback Components in the Simple Cloud-Resolving E3SM Atmosphere Model (SCREAM)

Cloud feedback remains the main source of uncertainty in climate sensitivity estimated by global climate models (GCMs), largely because subgrid cloud responses are parameterized in GCMs due to their coarse resolution. Here, this study examines cloud feedback in the global 3.25-km Simple Cloud-Resolving Energy Exascale Earth System Model (E3SM) Atmosphere Model (SCREAM 3 km) through a pair of 1-yr atmosphere-only simulations with control and +4-K sea surface temperature perturbations. SCREAM 3 km produces a positive cloud feedback that falls within but at the upper end of the range of Coupled Model Intercomparison Project phase 5 (CMIP5) and CMIP phase 6 (CMIP6) models and expert judgment. The positive cloud feedback arises from positive contributions from both high- and low-level clouds, with increases in high-cloud altitude and decreases in low-cloud amount and optical depth playing key roles. The stronger-than-CMIP-average feedback is mainly attributable to the high-cloud altitude feedback, owing to cloud tops rising nearly isothermally in SCREAM 3 km. The positive low-cloud amount feedback is weaker in SCREAM than in GCMs because estimated inversion strength (EIS) increases more dramatically with warming. A coarser 12-km resolution version of SCREAM exhibits a weaker positive cloud feedback than SCREAM 3 km, mainly because its low-cloud-radiative flux is more sensitive to EIS, leading to a stronger negative low-cloud amount feedback. With this process-level assessment of cloud feedback, this study reveals where SCREAM aligns with and diverges from conventional GCMs and expert assessment, providing insights to inform further model improvement and future expert assessment.

Cloud radiative effects↗
DOE OSTI2020

A Computationally Efficient Linear Semi-Lagrangian Scheme for the Advection of Microphysical Variables in Cloud-Resolving Models

An efficient semi-Lagrangian (SL) numerical scheme for the advection of positive-definite microphysical variables in cloud-resolving models is proposed. The scheme is a linear combination of SL schemes of the first and second order. The proposed scheme is compared with two high-order, monotonic, nonlinear Eulerian schemes, in two 2D tests. In the first test, advection of a positive scalar field with large gradients is performed within complicated idealized steering flows. In the second test, a hail storm is simulated using the 2D Hebrew University Cloud Model, describing the interactions between 15 size distributions of different microphysical quantities (each distribution is described by 43 mass bins). The proposed scheme is computationally efficient, has a low numerical diffusion and a high level of mass conservation accuracy, and preserves the sum of multiple advected variables as well as the linear relationships between the advected scalar variables. Although the proposed SL scheme is not exactly positive definite, the negative values and their number, which may appear only in the case of very strong gradients, are negligible. The scheme produces results similar to those of nonlinear Eulerian advection schemes while reducing computation time by approximately a factor of 10.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

From soil to sequence: filling the critical gap in genome-resolved metagenomics is essential to the future of soil microbial ecology

Abstract Soil microbiomes are heterogeneous, complex microbial communities. Metagenomic analysis is generating vast amounts of data, creating immense challenges in sequence assembly and analysis. Although advances in technology have resulted in the ability to easily collect large amounts of sequence data, soil samples containing thousands of unique taxa are often poorly characterized. These challenges reduce the usefulness of genome-resolved metagenomic (GRM) analysis seen in other fields of microbiology, such as the creation of high quality metagenomic assembled genomes and the adoption of genome scale modeling approaches. The absence of these resources restricts the scale of future research, limiting hypothesis generation and the predictive modeling of microbial communities. Creating publicly available databases of soil MAGs, similar to databases produced for other microbiomes, has the potential to transform scientific insights about soil microbiomes without requiring the computational resources and domain expertise for assembly and binning.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

High-repetition rate, CEP-stable shortwave infrared source with two-cycle pulses for field-resolved spectroscopy

We report on a passively carrier-envelope phase (CEP)-stable optical parametric amplifier generating two-cycle pulses at 2060 nm with energies of up to 2.25 µJ operating at a repetition rate of 400 kHz, specifically designed for applications in field-resolved spectroscopy. The measured pulse duration is 13.6 fs, resulting in two cycles of the carrier wave. Due to the robust CEP-stable front-end design, we achieve an open-loop CEP stability of 250 mrad (rms) and the capability for fast CEP modulation.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

FY19 L2 MRT 6744 Milestone Completion: Digital Time-Resolved Spot Diagnostic (D-TRSD)

This milestone report describes development of the Digital Time-Resolved Spot Diagnostic (D-TRSD) into a functioning diagnostic that has been proven in the laboratory. Laboratory tests complete the MRT 6744 exit criteria with the recording and analysis of a spot size measurement for two consecutive pulses on a two-pulse source. Additional channels will be added in the near future to provide an 84-channel measurement capability. The new modular design is more portable than the previous generations and will be much easier to set up at radiographic facilities across the complex.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Time-Resolved PIV Diagnostics to Measure Flow Field Exiting Methane-Fueled Rotating Detonation Combustor

Time-resolved particle image velocimetry (TR-PIV) is applied to measure the flow field at the immediate exit of a rotating detonation combustor (RDC) operating on methane fuel and oxygen-enriched air, and configured with a back-pressure choke-plate. The challenges inherent to obtaining temporally consistent and spatially-well distributed seeded flow in a highly-periodic, supersonic, reacting flow field are discussed. Likewise, various measures taken to accurately implement the diagnostic and yield analytical results are detailed. The discussion includes laser optics configuration to maximize laser intensity in the region of interest, and consideration of seeder design and various seed materials and sizes to yield optimized results. Results acquired at 50 kHz PIV acquisition rate are presented to show the flow-field in two-dimensions: axial and circumferential velocity components. Results show that while the flow is primarily axial, a significant circumferential velocity component is also present. The flow oscillates in both directions with the passing of an oblique-shock structure in the PIV region of interest. Recommendations to improve the consistency and precision of the system for future studies are noted.

03 NATURAL GAS↗
DOE OSTI2025

Angle-resolved polarized Raman spectroscopy study of phosphorene nanoribbons

We present a systematic angle-resolved polarized Raman spectroscopy (ARPRS) study of black phosphorus (BP) nanostructures formed via electrochemical sodium- and lithium-ion intercalation. Sodium intercalation leads to bundles of densely packed, highly uniform phosphorene nanoribbons (PNRs) separated by parallel amorphous channels, whereas lithium intercalation results in shorter, irregular nanoribbon-like segments with lower aspect ratios. In both cases, six additional Raman peaks (P1–P6) appear alongside the three primary Raman-active modes of BP (A$^{1}_{g}$, B 2g , and A$^{2}_{g}$). These peaks are attributed to the amorphous regions, as confirmed by their isotropic angular dependence in ARPRS measurements. The three BP modes show pronounced angular variations that differ significantly between the two intercalated samples. In sodium-intercalated BP, A$^{1}_{g}$ and A$^{2}_{g}$ modes retain a dumbbell-like angular dependence under parallel polarization with enhanced anisotropy and reduced symmetry under crossed polarization. At the same time, the B 2g mode transitions from four-lobed (cloverleaf) polar plot to a butterfly-like one. In contrast, lithium-intercalated BP exhibits weaker anisotropy and less distinct angular polar plots for all three modes. These differences reflect the sensitivity of phonon behavior to underlying nanostructure morphology. The vibrational frequencies density of states (FDOS) calculations attribute the B 2g mode transformation to phonon band folding and mode mixing in PNRs. This study demonstrates the power of ARPRS in probing phonon-structure relationships and highlights the influence of edge geometry and quantum confinement on phonon dispersion in PNRs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Relating Convection to GCM Grid-Scale Fields Using Cloud-Resolving Model Simulation of a Squall Line Observed during MC3E Field Experiment

In this study, a WRF (Weather Research and Forecasting) model is used as a cloud-resolving model to simulate a squall line observed on 20 May 2011 in the Southern Great Plains (SGP) of the United States. The model output is then used to examine the relationships between convective precipitation and coarse-grained variables averaged over a range of subdomain sizes equivalent to various global climate model horizontal resolutions. The objective is to determine to what extent convection within the subdomains can be related to these “large-scale” variables, thus that they can potentially serve as closure in convective parameterization. Results show that convective precipitation is well correlated with the vertical velocity at 500 hPa, column integrated moisture convergence and CAPE change due to large-scale advective forcing (dCAPE) for various subdomain sizes, but the correlation decreases with decreasing subdomain size. dCAPE leads convective precipitation for all subdomain sizes examined; however, the lead time decreases with decreasing subdomain size. Moisture convergence leads convective precipitation for subdomain sizes greater than 32 km but has no lead time for smaller subdomain sizes. Mid-tropospheric vertical velocity has no lead time or slightly lags convective precipitation. The lead/lag composite analysis with respect to maximum precipitation time indicates that peaks of large-scale variables increase with decreasing subdomain size. The peaks of 500 hPa vertical velocity and column integrated moisture convergence occur at the same time as maximum precipitation, but maximum dCAPE leads maximum precipitation by twelve minutes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Time-Resolved Structural Measurement of Thermal Resistance across a Buried Semiconductor Heterostructure Interface

The precise control and understanding of heat flow in heterostructures is pivotal for advancements in thermoelectric energy conversion, thermal barrier coatings, and efficient heat management in electronic and optoelectronic devices. In this study, we employ high-angular-resolution time-resolved X-ray diffraction to structurally measure thermal resistance in a laser-excited AlGaAs/GaAs semiconductor heterostructure. Our methodology offers femtometer-scale spatial sensitivity and nanosecond time resolution, enabling us to directly observe heat transport across a buried interface. We corroborate established Thermal Boundary Resistance (TBR) values for AlGaAs/GaAs heterostructures and demonstrate that TBR arises from material property discrepancies on either side of a nearly flawless atomic interface. This work not only sheds light on the fundamental mechanisms governing heat flow across buried interfaces but also presents a robust experimental framework that can be extended to other heterostructure systems, paving the way for optimized thermal management in next-generation devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Time-resolved probing of laser-induced nanostructuring processes in liquids

Laser synthesis and processing of colloids (LSPC) in liquids has gained widespread applications in producing nanomaterials of different classes of solids. While the technical processes in different cases of ablation, fragmentation or colloidal fusion may look macroscopically different in each application, the underlying fundamental mechanisms are always the same cascade of laser interaction with matter, non-thermal or thermal energy deposition, phase transitions, and the subsequent structure formation processes. Disentangling these mechanisms represents a veritable challenge, as ultrafast and structurally sensitive experimental methods are required. This review presents a discussion of how state-of-the-art experimental protocols using ultrafast lasers and sensitive structural probes, such as electrons or X-rays are able to address this challenge. In particular, it is possible to investigate LSPC on single objects using single probe pulses and avoid accumulation effects in a heterogeneous sample. The presented results capture structure formation with femtosecond and atomic scale resolution. Ultrafast time-resolved probing approaches are key to revealing the transient states and pathways that govern material transformation in LSPC.

X-ray scattering↗