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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Very large array observations of ammonia in high-mass star formation regions

We report systematic mapping observations of the NH{sub 3} (1, 1) and (2, 2) inversion lines toward 62 high-mass star-forming regions using the Very Large Array (VLA) in its D and DnC array configurations. The VLA images cover a spatial dynamic range from 40'' to 3'', allowing us to trace gas kinematics from ∼1 pc scales to ≲0.1 pc scales. Based on the NH{sub 3} morphology and the infrared nebulosity on 1 pc scales, we categorize three subclasses in the sample: filaments, hot cores, and NH{sub 3}-dispersed sources. The ubiquitous gas filaments found on 1 pc scales have a typical width of ∼0.1 pc and often contain regularly spaced fragments along the major axis. The spacing of the fragments and the column densities is consistent with the turbulent supported fragmentation of cylinders. Several sources show multiple filaments that converge toward a center where the velocity field in the filaments is consistent with gas flows. We derive rotational temperature maps for the entire sample. For the three hot core sources, we find a projected radial temperature distribution that is best fit by power-law indices from –0.18 to –0.35. We identify 174 velocity-coherent ∼0.1 pc scale dense cores from the entire sample. The mean physical properties for these cores are 1.1 km s{sup –1} in intrinsic linewidth, 18 K in NH{sub 3} rotational temperature, 2.3 × 10{sup 15} cm{sup –2} in NH{sub 3} gas column density, and 67 M{sub ☉} in molecular mass. The dense cores identified from the filamentary sources are closer to being virialized. Dense cores in the other two categories of sources appear to be dynamically unstable.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRSDate not supplied

Toward Relating Open- and Closed-Test Section Microphone Phased Array Aeroacoustic Measurements

Aeroacoustic measurements utilizing microphone phased arrays are becoming more commonplace in large-scale wind tunnels. However, for such costly tests it is difficult to assess the influence of a given facility's configuration on the acquired data. One such opportunity has recently arisen in the NASA Langley Research Center 14- by 22-Foot Subsonic Tunnel, where the High-Lift configuration of the Common Research Model was tested in both open-jet and closed wall configurations. Acoustic data were acquired on the same model with the same specific hardware at the same Mach number; and for similar model angles of attack, array apertures, and array angles relative to the model location. Initial deconvolution comparisons using DAMAS appear poor. The closed test section results show contamination likely due to background noise and reflections. The open-jet results show severe blurring due to the decorrelation of acoustic waves passing through a turbulent free shear layer. However, accounting for image sources in the DAMAS grid reduces visual artifacts in the closed test section results, and a preliminary coherence correction technique mitigates the blurring in the open-jet results. Qualitatively, both tests identify similar source behavior. Quantitatively, summed spectra of the slat noise agree in some frequency bands but differ in others. Proposals that may mitigate the difference are given for each configuration, such as correcting for the array protective cover and applying background subtraction in the closed wall configuration, and further developing the coherence loss correction for deconvolution methods in the open-jet setup.

microphone array↗
DOE OSTI2019

Evaluating a Concentrating Solar Power Plant as an Extended-Duration Peaking Resource

We explore the ability of a concentrating solar power (CSP) plant with thermal energy storage (TES) to provide peaking capacity. We focus on future power systems, wherein net load patterns may be significantly different than they are today (e.g., due to higher renewable-energy penetrations). We examine 28 locations in the southwestern United States over an 18-year period. The hourly operation of the CSP plants are simulated to determine their potential to provide energy during an eight-hour peak-load window for each day up to 365 days per year. Our result shows that for the large majority of locations and years, CSP plants with certain configurations (i.e., in terms of solar field and TES sizes) can provide nearly 100% peak-load capacity. We examine also the amount of supplemental energy (e.g., by using natural gas as a supplemental thermal-energy source) that would be required to ensure that a CSP plant could serve the eight highest-load hours of every day of the year. We find that in most cases, a CSP plant supplemented with natural gas would require less than 5% of the fuel that is used by a natural-gas fired power plant providing the same level of reliable capacity. A series of sensitivity analyses show that these results are robust to the number of peak-load hours and days that are considered and the configuration of the CSP plant.

14 SOLAR ENERGY↗
DOE OSTI2014

Scalability of grid- and subbasin-based land surface modeling approaches for hydrologic simulations

This paper investigates the relative merits of grid- and subbasin-based land surface modeling approaches for hydrologic simulations, with a focus on their scalability (i.e., abilities to perform consistently across a range of spatial resolutions) in simulating runoff generation. Simulations produced by the grid- and subbasin-based configurations of the Community Land Model (CLM) are compared at four spatial resolutions (0.125o, 0.25o, 0.5o and 1o) over the topographically diverse region of the U.S. Pacific Northwest. Using the 0.125o resolution simulation as the “reference”, statistical skill metrics are calculated and compared across simulations at 0.25o, 0.5o and 1o spatial resolutions of each modeling approach at basin and topographic region levels. Results suggest significant scalability advantage for the subbasin-based approach compared to the grid-based approach for runoff generation. Basin level annual average relative errors of surface runoff at 0.25o, 0.5o, and 1o compared to 0.125o are 3%, 4%, and 6% for the subbasin-based configuration and 4%, 7%, and 11% for the grid-based configuration, respectively. The scalability advantages of the subbasin-based approach are more pronounced during winter/spring and over mountainous regions. The source of runoff scalability is found to be related to the scalability of major meteorological and land surface parameters of runoff generation. More specifically, the subbasin-based approach is more consistent across spatial scales than the grid-based approach in snowfall/rainfall partitioning, which is related to air temperature and surface elevation. Scalability of a topographic parameter used in the runoff parameterization also contributes to improved scalability of the rain driven saturated surface runoff component, particularly during winter. Hence this study demonstrates the importance of spatial structure for multi-scale modeling of hydrological processes, with implications to surface heat fluxes in coupled land-atmosphere modeling.

Tesfa, Teklu K.↗
DOE OSTI2020

Geophysical monitoring using active seismic techniques at the Citronelle Alabama CO 2 storage demonstration site

Between August 2012 and September 2014, about 114,000 metric tonnes of CO 2 was captured from the coal-fired Plant Barry Power Station at Bucks Alabama and injected into the Paluxy Formation above the oil pool in the southeast unit of the Citronelle Oilfield. Various monitoring methods were deployed at land surface and in project wells to measure system performance, comply with permit requirements and test new and innovative monitoring tools. The monitoring program relied heavily on active seismic methods for subsurface imaging of geologic structure and time-lapse seismic techniques to track the CO 2 migration in the injection interval. Both conventional geophone/hydrophone and fiber-optic based Distributed Acoustic Sensing (DAS) arrays were deployed and tested, allowing a side by side comparison of the equipment and techniques. Geophysical imaging of the subsurface was successful using DAS in the offset vertical seismic profile (OVSP) survey configuration. A high resolution OVSP image of the subsurface was obtained in 2014 with DAS, which exceeded project expectations in comparison to a lower resolution image obtained in 2012 using a conventional 80-level geophone array. A time-lapse image of the redistribution of CO 2 after injection ended in September 2014 was obtained with two DAS OVSP surveys from June 2014 and December 2015, thus successfully demonstrating its proof-of-concept. Unfortunately, a pre-injection baseline survey with DAS, which was in its initial stage of technology development in 2012, did not have sufficient quality for use, making it difficult to interpret the acquired DAS time-lapse difference. Additional research in this area has since demonstrated the utility of time-lapse DAS OVSP. DAS data were also acquired during a cross-well seismic survey conducted in 2014. Unfortunately, the DAS technique was not success in the cross-well survey configuration because the system noise level was too high in the crosswell frequency output range (100–1200 Hz) of the piezoelectric source (increasing by a factor of ten compared to VSP frequency band). Additionally, the cross-well geometry causes sub-horizontal (broadside) incidence on the vertical DAS fiber cable, which is known to be problematic. Current research is focused on improving the DAS cable response to broadside acoustic energy. Time-lapse seismic surveys using commercially available conventional arrays were also acquired. In contrast to the DAS acquired data, the cross-well seismic results obtained with the conventional array was highly successful and clearly showed the CO 2 remained in zone at the end of injection. Time-lapse differencing of the OSVP surveys acquired with the conventional arrays proved to be inconclusive. Finally, changes in wellbore conditions between surveys and unavoidable changes in equipment (the array used for the baseline survey was retired) affected data quality, making it difficult to interpret the OVSP results.

58 GEOSCIENCES↗
DOE OSTI2015

Hole traps in sodium silicate: First-principles calculations of the mobility edge

Here, the structure and properties of (Na 2 O) 0.30 (SiO 2 ) 0.70 sodium silicate glass are studied by combined ab-initio and classical molecular dynamics simulations to identify the sources of electronic traps in the band gap. Structures from classical molecular dynamics melt-quench simulations are taken as initial configurations for first-principles density functional theory structural relaxation, from which electronic properties are determined. An ensemble of thirty glass structures, each containing 660 atoms, is prepared in order to perform statistical analyses. The inverse participation ratio is used as a metric to characterize localized states in the band gap and determine the mobility edge. Structures with varying amounts of local disorder (traps) are compared. The most localized and highest energy trap states are due to Si atoms with 2–3 non-bridging oxygen atoms. Control of the electronic properties of amorphous insulators and semiconductors is essential for the advancement of many technologies, such as photovoltaics and scintillators, for which the present analysis is indispensable.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Measurement of neutron and gamma-ray cross-correlation functions with 4 He detectors

For the first time, the neutron and gamma-ray time-dependent cross-correlation distributions from spontaneous fission and (α, n) neutron sources are measured with the 4 He fast neutron detectors. The pulse shape discrimination technique based on charge comparison is utilized to discriminate between neutrons and gamma-rays in the identification of the four possible correlated pairs: (γ, γ), (n, n), (γ, n), and (n, n). Both total and individual cross-correlation functions are obtained, and their shapes can be easily distinguished among different neutron sources. The (n, n) and (γ, n) correlations are selectively analyzed and the peak position of the (n, n) and (γ, n) pairs shows a linear correlation with source-detector distance. Here, the measurements illustrate the feasibility of using 4 He detectors to identify nuclear materials and their geometrical configurations, as well as other applications in nuclear nonproliferation and safeguards. In particular, the (n, n) correlated data can be very clearly assayed even in the presence of significant gamma fields without the use of shielding.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

First Global Images of Ion Energization in the Terrestrial Foreshock by the Interstellar Boundary Explorer

The Interstellar Boundary Explorer (IBEX) mission provides global energetic neutral atom (ENA) observations from the heliosphere and the Earth's magnetosphere, including spatial, temporal, and energy information. IBEX views the magnetosphere from the sides and almost always perpendicular to noon-midnight plane. We report the first ENA images of the energization process in the Earth's ion foreshock and magnetosheath regions. We show ENA flux and spectral images of the dayside magnetosphere with significant energization of ENA plasma sources (above ~2.7 keV) in the region magnetically connected to the Earth's bow shock (BS) in its quasi-parallel configuration of the interplanetary magnetic field (IMF). We also show that the ion energization increases gradually with decreasing IMF-BS angle, suggesting more efficient suprathermal ion acceleration deeper in the quasi-parallel foreshock.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Explore Spatio‐Temporal Learning of Large Sample Hydrology Using Graph Neural Networks

Abstract Streamflow forecasting over gauged and ungauged basins play a vital role in water resources planning, especially under the changing climate. Increased availability of large sample hydrology data sets, together with recent advances in deep learning techniques, has presented new opportunities to explore temporal and spatial patterns in hydrological signatures for improving streamflow forecasting. The purpose of this study is to adapt and benchmark several state‐of‐the‐art graph neural network (GNN) architectures, including ChebNet, Graph Convolutional Network (GCN), and GraphWaveNet, for end‐to‐end graph learning. We explicitly represent river basins as nodes in a graph, learn the spatiotemporal nodal dependencies, and then use the learned relations to predict streamflow simultaneously across all nodes in the graph. The efficacy of the developed GNN models is investigated using the Catchment Attributes and MEteorology for Large‐sample Studies (CAMELS) data set under two settings, fixed graph topology (transductive learning), and variable graph topology (inductive learning), with the latter applicable to prediction in ungauged basins (PUB). Results indicate that GNNs are generally robust and computationally efficient, achieving similar or better performance than a baseline model trained using the long short‐term memory (LSTM) network. Further analyses are conducted to interpret the graph learning process at the edge and node levels and to investigate the effect of different model configurations. We conclude that graph learning constitutes a viable machine learning‐based method for aggregating spatiotemporal information from a multitude of sources for streamflow forecasting

Sun, Alexander Y.↗
DOE OSTI2020

High broadband photoconductivity of few-layered MoS 2 field-effect transistors measured using multi-terminal methods: effects of contact resistance

Among the layered two dimensional semiconductors, molybdenum disulfide (MoS 2 ) is considered to be an excellent candidate for applications in optoelectronics and integrated circuits due to its layer-dependent tunable bandgap in the visible region, high ON/OFF current ratio in field-effect transistors (FET) and strong light–matter interaction properties. In this study, using multi-terminal measurements, we report high broadband photocurrent response ( R ) and external quantum efficiency (EQE) of few-atomic layered MoS 2 phototransistors fabricated on a SiO 2 dielectric substrate and encapsulated with a thin transparent polymer film of Cytop. The photocurrent response was measured using a white light source as well as a monochromatic light of wavelength λ = 400 nm–900 nm. We measured responsivity using a 2-terminal configuration as high as R = 1 × 10 3 A W -1 under white light illumination with an optical power P opt = 0.02 nW. The R value increased to 3.5 × 10 3 A W -1 when measured using a 4-terminal configuration. Using monochromatic light on the same device, the measured values of R were 10 3 and 6 × 10 3 A W -1 under illumination of λ = 400 nm when measured using 2- and 4-terminal methods, respectively. The highest EQE values obtained using λ = 400 nm were 10 5 % and 10 6 % measured using 2- and 4-terminal configurations, respectively. The wavelength dependent responsivity decreased from 400 nm to the near-IR region at 900 nm. The observed photoresponse, photocurrent–dark current ratio (PDCR), detectivity as a function of applied gate voltage, optical power, contact resistances and wavelength were measured and are discussed in detail. The observed responsivity is also thoroughly studied as a function of contact resistance of the device.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Temperature and density evolution during decay in a 2.45 GHz hydrogen electron cyclotron resonance plasma: Off-resonant and resonant cases

Time resolved electron temperature and density measurements during the decay stage in a hydrogen electron cyclotron resonance (ECR) plasma are presented for a resonance and off-resonance magnetic field configurations. The measurements are conducted on a ECR plasma generator excited at 2.45 GHz denominated test-bench for ion-sources plasma studies at ESS Bilbao. The plasma parameters evolution is studied by Langmuir probe diagnostic with synchronized sample technique developed for repetitive pulsed plasmas with a temporal resolution of 200 ns in typical decay processes of about 40 μs. An afterglow transient is clearly observed in the reflected microwave power signal from the plasma. Simultaneously, the electron temperature evolution shows rebounding peaks that may be related to the interplay between density drop and microwave coupling with deep impact on the Electron Energy Distribution Function. The correlation of such structures with the plasma absorbed power and the coupling quality is also reported.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Intelligent energy buildings based on RES and nanotechnology

The paper presents the design features, the energy modelling and optical performance details of two pilot Intelligent Energy Buildings, (IEB). Both are evolution of the Zero Energy Building (ZEB) concept. RES innovations backed up by signal processing, simulation models and ICT tools were embedded into the building structures in order to implement a new predictive energy management concept. In addition, nano-coatings, produced by TiO2 and ITO nano-particles, were deposited on the IEB structural elements and especially on the window panes and the PV glass covers. They exhibited promising SSP values which lowered the cooling loads and increased the PV modules yield. Both pilot IEB units were equipped with an on-line dynamic hourly solar radiation prediction model, implemented by sensors and the related software to manage effectively the energy source, the loads and the storage or the backup system. The IEB energy sources covered the thermal loads via a south façade embedded in the wall and a solar roof which consists of a specially designed solar collector type, while a PV generator is part of the solar roof, like a compact BIPV in hybrid configuration to a small wind turbine.

14 SOLAR ENERGY↗
DOE OSTI2022

Coupling, lifetimes, and “strong coupling” maps for single molecules at plasmonic interfaces

The interaction between excited states of a molecule and excited states of a metal nanostructure (e.g., plasmons) leads to hybrid states with modified optical properties. When plasmon resonance is swept through molecular transition frequency, an avoided crossing may be observed, which is often regarded as a signature of strong coupling between plasmons and molecules. Such strong coupling is expected to be realized when 2|$\langle$U$\rangle$|/ℏΓ > 1, where $\langle$U$\rangle$ and Γ are the molecule–plasmon coupling and the spectral width of the optical transition, respectively. Because both $\langle$U$\rangle$ and Γ strongly increase with decreasing distance between a molecule and a plasmonic structure, it is not obvious that this condition can be satisfied for any molecule–metal surface distance. Here, in this work, we investigate the behavior of $\langle$U$\rangle$ and Γ for several geometries. Surprisingly, we find that if the only contributions to Γ are lifetime broadenings associated with the radiative and nonradiative relaxation of a single molecular vibronic transition, including effects on molecular radiative and nonradiative lifetimes induced by the metal, the criterion 2|$\langle$U$\rangle$|/ℏΓ > 1 is easily satisfied by many configurations irrespective of the metal–molecule distance. This implies that the Rabi splitting can be observed in such structures if other sources of broadening are suppressed. Additionally, when the molecule–metal surface distance is varied keeping all other molecular and metal parameters constant, this behavior is mitigated due to the spectral shift associated with the same molecule–plasmon interaction, making the observation of Rabi splitting more challenging.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Simulations of a FIR Oscillator with Large Slippage parameter at Jefferson Lab for FIR/UV pump-probe experiments

We previously proposed a dual FEL configuration on the UV Demo FEL at Jefferson Lab that would allow simultaneous lasing at FIR and UV wavelengths. The FIR source would be an FEL oscillator with a short wiggler providing diffraction-limited pulses with pulse energy exceeding 50 microJoules, using the exhaust beam from a UVFEL as the input electron beam. Since the UV FEL requires very short pulses, the input to the FIR FEL is extremely short compared to a slippage length and the usual Slowly Varying Envelope Approximation (SVEA) does not apply. We use a non-SVEA code to simulate this system both with a small energy spread (UV laser off) and with large energy spread (UV laser on).

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Transferring predictions of formation energy across lattices of increasing size*

In this study, we show the transferability of graph convolutional neural network (GCNN) predictions of the formation energy of the nickel-platinum solid solution alloy across atomic structures of increasing sizes. The original dataset was generated with the large-scale atomic/molecular massively parallel simulator using the second nearest-neighbor modified embedded-atom method empirical interatomic potential. Geometry optimization was performed on the initially randomly generated face centered cubic crystal structures and the formation energy has been calculated at each step of the geometry optimization, with configurations spanning the whole compositional range. Using data from various steps of the geometry optimization, we first trained our open-source, scalable implementation of GCNN called HydraGNN on a lattice of 256 atoms, which accounts well for the short-range interactions. Using this data, we predicted the formation energy for lattices of 864 atoms and 2048 atoms, which resulted in lower-than-expected accuracy due to the long-range interactions present in these larger lattices. We accounted for the long-range interactions by including a small amount of training data representative for those two larger sizes, whereupon the predictions of HydraGNN scaled linearly with the size of the lattice. Therefore, our strategy ensured scalability while reducing significantly the computational cost of training on larger lattice sizes.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Analysis and optimization of seismic monitoring networks with Bayesian optimal experimental design

SUMMARY Monitoring networks increasingly aim to assimilate data from a large number of diverse sensors covering many sensing modalities. Bayesian optimal experimental design (OED) seeks to identify data, sensor configurations or experiments which can optimally reduce uncertainty and hence increase the performance of a monitoring network. Information theory guides OED by formulating the choice of experiment or sensor placement as an optimization problem that maximizes the expected information gain (EIG) about quantities of interest given prior knowledge and models of expected observation data. Therefore, within the context of seismo-acoustic monitoring, we can use Bayesian OED to configure sensor networks by choosing sensor locations, types and fidelity in order to improve our ability to identify and locate seismic sources. In this work, we develop the framework necessary to use Bayesian OED to optimize a sensor network’s ability to locate seismic events from arrival time data of detected seismic phases at the regional-scale. This framework requires five elements: (i) A likelihood function that describes the distribution of detection and traveltime data from the sensor network, (ii) A prior distribution that describes a priori belief about seismic events, (iii) A Bayesian solver that uses a prior and likelihood to identify the posterior distribution of seismic events given the data, (iv) An algorithm to compute EIG about seismic events over a data set of hypothetical prior events, (v) An optimizer that finds a sensor network which maximizes EIG. Once we have developed this framework, we explore many relevant questions to monitoring such as: how to trade off sensor fidelity and earth model uncertainty; how sensor types, number and locations influence uncertainty; and how prior models and constraints influence sensor placement.

58 GEOSCIENCES↗
DOE OSTI2016

Discrimination of correlated and entangling quantum channels with selective process tomography

The accurate and reliable characterization of quantum dynamical processes underlies efforts to validate quantum technologies, where discrimination between competing models of observed behaviors inform efforts to fabricate and operate qubit devices. We present a protocol for quantum channel discrimination that leverages advances in direct characterization of quantum dynamics (DCQD) codes. We demonstrate that DCQD codes enable selective process tomography to improve discrimination between entangling and correlated quantum dynamics. Numerical simulations show selective process tomography requires only a few measurement configurations to achieve a low false alarm rate and that the DCQD encoding improves the resilience of the protocol to hidden sources of noise. Lastly, our results show that selective process tomography with DCQD codes is useful for efficiently distinguishing sources of correlated crosstalk from uncorrelated noise in current and future experimental platforms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Ground-state properties of the Hubbard model in one and two dimensions from the Gutzwiller conjugate gradient minimization theory

We introduce Gutzwiller conjugate gradient minimization (GCGM) theory, an ab initio quantum many-body theory for computing the ground-state properties of infinite systems. GCGM uses the Gutzwiller wave function but does not use the commonly adopted Gutzwiller approximation (GA), which is a major source of inaccuracy. Instead, the theory uses an approximation that is based on the occupation probability of the on-site configurations, rather than approximations that decouple the site-site correlations as used in the GA. We test the theory in the one-dimensional and two-dimensional Hubbard models at various electron densities and find that GCGM reproduces energies and double occupancies in reasonable agreement with benchmark data at a very small computational cost.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗