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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 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Experimental and Numerical Study of Ammonium Perchlorate Counterflow Diffusion Flames

Many solid rocket propellants are based on a composite mixture of ammonium perchlorate (AP) oxidizer and polymeric binder fuels. In these propellants, complex three-dimensional diffusion flame structures between the AP and binder decomposition products, dependent upon the length scales of the heterogeneous mixture, drive the combustion via heat transfer back to the surface. Changing the AP crystal size changes the burn rate of such propellants. Large AP crystals are governed by the cooler AP self-deflagration flame and burn slowly, while small AP crystals are governed more by the hot diffusion flame with the binder and burn faster. This allows control of composite propellant ballistic properties via particle size variation. Previous measurements on these diffusion flames in the planar two-dimensional sandwich configuration yielded insight into controlling flame structure, but there are several drawbacks that make comparison with modeling difficult. First, the flames are two-dimensional and this makes modeling much more complex computationally than with one-dimensional problems, such as RDX self- and laser-supported deflagration. In addition, little is known about the nature, concentration, and evolution rates of the gaseous chemical species produced by the various binders as they decompose. This makes comparison with models quite difficult. Alternatively, counterflow flames provide an excellent geometric configuration within which AP/binder diffusion flames can be studied both experimentally and computationally.

Smooke, M. D.↗
DOE OSTI2023

Atomic layer deposition for surface area determination of solid oxide electrodes

Surface area measurements are important for characterizing porous solids, but commonly used methods such as Brunauer–Emmett–Teller (BET) gas adsorption and computed nanotomography are lacking for certain applications such as the development of solid oxide fuel cell electrodes, which often have absolute surface areas <1 m 2 and contain nanoscale features. Presented is a novel method for the surface area determination of samples with total measurable areas of 1–1000 cm 2 with a standard deviation ± 1 cm 2 , utilizing the atomic layer deposition (ALD) of Al 2 O 3 over microstructurally complex internal porosity. The volume of alumina is then quantified using plasma spectroscopy and converted to an area using the known ALD layer thickness. Under the modest ALD reactor soak times used (8.5 s), the precursor penetration depth is found to be ~50 μm, exceeding the requirement for uniformly coating SOFC functional layers. A model system, (La 0.8 Sr 0.2 ) 0.98 MnO 3–δ /Ce 0.9 Gd 0.1 O 1.95 (LSM/GDC) scaffolds of ~2.7 m 2 g –1 , was measured using the technique and compared against the BET method, and comparable results were obtained but with 1000 times less material needed. The technique is demonstrated for measurements in two example areas of active SOFC research: exsolved (Ni, Fe) nanoparticles on an Sr(Ti, Fe, Ni)O 3–δ electrode and PrO x catalyst nanoparticles infiltrated onto LSM/GDC scaffolds. Finally, the technique may be broadly useful wherever the accurate surface area determination of small absolute quantities of porous ceramic structures on the order of 0.1–50 m 2 g –1 is sought.

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

Properties of the neutron star crust: Quantifying and correlating uncertainties with improved nuclear physics

A compressible liquid-drop model (CLDM) is used to correlate uncertainties associated with the properties of the neutron star (NS) crust with theoretical estimates of the uncertainties associated with the equation of state (EOS) of homogeneous neutron and nuclear matter. For the latter, we employ recent calculations based on Hamiltonians constructed using chiral effective-field theory (χEFT). Fits to experimental nuclear masses are employed to constrain the CLDM further, and we find that they disfavor some of the χEFT Hamiltonians. The CLDM allows us to study the complex interplay between bulk, surface, curvature, and Coulomb contributions, and their impact on the NS crust. It also reveals how the curvature energy alters the correlation between the surface energy and the bulk symmetry energy. Here our analysis quantifies how the uncertainties associated with the EOS of homogeneous matter implies significant uncertainties for the composition of the crust, its proton fraction, and the volume fraction occupied by nuclei. We find that the finite-size effects impact the crust composition but have a negligible effect on the net isospin asymmetry of matter. The isospin asymmetry is largely determined by the bulk properties and the isospin dependence of the surface energy. The most significant uncertainties associated with matter properties in the densest regions of the crust, the precise location of the crust-core transition, are found to be strongly correlated with uncertainties associated with the Hamiltonians. By adopting a unified model to describe the crust and the core of NSs, we tighten the correlation between their global properties such as their mass-radius relationship, moment of inertia, crust thickness, and tidal deformability with uncertainties associated with the nuclear Hamiltonians.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Three-dimensional seismic characterization and imaging of the Soda Lake geothermal field

Accurate characterization of subsurface geophysical properties and detection of the fault system are essential for geothermal energy exploration and production. The Soda Lake geothermal field is in western Nevada with a complex fault system. Previous seismic characterization only produced a low-resolution, smooth velocity model along with a simple, conceptual fault model. Using optimized correlation-based full-waveform inversion, wavefield-separation-based reverse-time migration, and automatic fault detection techniques, we present 3D seismic characterization for the Soda Lake geothermal field using 3D surface seismic data acquired with Vibroseis sources. Here, we obtain 3D high-resolution velocity, density, and acoustic impedance models, 3D seismic images with different grid spacings, and a high-resolution fault system. Consistency check between the constructed faults and currently active injection and production geothermal wells verifies that our seismic inversion and imaging results and detected faults are reliable. These results can provide valuable information for optimizing well placement and geothermal energy production at the Soda Lake geothermal field.

15 GEOTHERMAL ENERGY↗
DOE OSTI2025

Structural Evolution of Mixed-Addenda Keggin Polyoxometalate Anions with Atom-by-Atom Substitution

Polyoxometalates (POMs) are molecular metal oxides with distinctive electronic properties that make them promising materials for applications in energy, sensors, and memory devices. One of the most promising methods of tuning the stability, photochromic, redox, and electron-spin properties of POMs is through the substitution of the metal “addenda” atoms that, along with oxygen, constitute their cage-like structures. Because traditional synthesis methods typically produce a distribution of POMs, the isolation and characterization of multimetallic POMs with predetermined stoichiometry remains challenging. The presence of multiple energetically accessible isomers further complicates the experimental characterization and theoretical modeling of multimetallic POMs. Herein, we leverage the distinguishing mass-selection capabilities of ion soft landing to prepare stoichiometrically selected Keggin PMo x W 12-x O 40 3- (x = 0 – 6, 8, 10, and 12) POMs on self-assembled monolayer surfaces free of the solvent molecules and counterions that often confound characterization of complex species at interfaces. The structures of the supported POMs are characterized with atom-by-atom precision using in situ infrared (IR) reflection absorption spectroscopy complemented by detailed density functional theory calculations. Our joint experimental and theoretical results reveal an almost linear shift in the positions of the IR bands towards lower wavenumbers with an increase in the number of lighter molybdenum atoms compared to heavier W atoms in PMoxW 12-x O 40 3- . The theoretical calculations also indicate that numerous isomeric structures may be populated at the experimental conditions and, consequently, contribute to the overall IR spectra. In conclusion, our findings indicate that in addition to the number of substituted addenda atoms and the presence of multiple isomeric structures, interactions with the surface play an important role in determining the IR spectra and structure of supported bimetallic POMs.

Prabhakaran, Venkateshkumar [Pacific Northwest Nat↗
DOE OSTI2024

Bridging molecular-scale interfacial science with continuum-scale models

Solid–water interfaces are crucial for clean water, conventional and renewable energy, and effective nuclear waste management. However, reflecting the complexity of reactive interfaces in continuum-scale models is a challenge, leading to oversimplified representations that often fail to predict real-world behavior. This is because these models use fixed parameters derived by averaging across a wide physicochemical range observed at the molecular scale. Recent studies have revealed the stochastic nature of molecular-level surface sites that define a variety of reaction mechanisms, rates, and products even across a single surface. To bridge the molecular knowledge and predictive continuum-scale models, we propose to represent surface properties with probability distributions rather than with discrete constant values derived by averaging across a heterogeneous surface. This conceptual shift in continuum-scale modeling requires exponentially rising computational power. By incorporating our molecular-scale understanding of solid–water interfaces into continuum-scale models we can pave the way for next generation critical technologies and novel environmental solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

A minimal complex of KHNYN and zinc-finger antiviral protein binds and degrades single-stranded RNA

Detecting viral infection is a key role of the innate immune system. The genomes of some RNA viruses have a high CpG dinucleotide content relative to most vertebrate cell RNAs, making CpGs a molecular marker of infection. The human zinc-finger antiviral protein (ZAP) recognizes CpG, mediates clearance of the foreign CpG-rich RNA, and causes attenuation of CpG-rich RNA viruses. While ZAP binds RNA, it lacks enzymatic activity that might be responsible for RNA degradation and thus requires interacting cofactors for its function. One of these cofactors, KHNYN, has a predicted nuclease domain. Using biochemical approaches, we found that the KHNYN NYN domain is a single-stranded RNA ribonuclease that does not have sequence specificity and digests RNA with or without CpG dinucleotides equivalently in vitro. We show that unlike most KH domains, the KHNYN KH domain does not bind RNA. Indeed, a crystal structure of the KH region revealed a double-KH domain with a negatively charged surface that accounts for the lack of RNA binding. Rather, the KHNYN C-terminal domain (CTD) interacts with the ZAP RNA-binding domain (RBD) to provide target RNA specificity. We define a minimal complex composed of the ZAP RBD and the KHNYN NYN-CTD and use a fluorescence polarization assay to propose a model for how this complex interacts with a CpG dinucleotide-containing RNA. In the context of the cell, this module would represent the minimum ZAP and KHNYN domains required for CpG-recognition and ribonuclease activity essential for attenuation of viruses with clusters of CpG dinucleotides.

Yeoh, Zoe C. (ORCID:0000000226949068)↗
DOE OSTI2021

Efficient Learning of Accurate Surrogates for Simulations of Complex Systems

Machine learning methods are increasingly deployed to construct surrogate models for complex physical systems at a reduced computational cost. However, the predictive capability of these surrogates degrades in the presence of noisy, sparse, or dynamic data. We introduce an online learning method empowered by optimizer-driven sampling that has two advantages over current approaches: it ensures that all local extrema (including endpoints) of the model response surface are included in the training data and it employs a continuous validation and update process in which surrogates undergo retraining when their performance falls below a validity threshold. We find, using benchmark functions, that optimizer-directed sampling generally outperforms traditional sampling methods in terms of accuracy around local extrema even when the scoring metric is biased towards assessing overall accuracy. Finally, the application to dense nuclear matter demonstrates that highly accurate surrogates for a nuclear equation of state model can be reliably auto-generated from expensive calculations using few model evaluations.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1989

Triton - Scattering models and surface/atmosphere constraints

Modeling of Triton's spectrum indicates a bright scattering layer of optical depth tau about 3 overlying an optically deep layer of CH4 with high absorption and little scattering. UV absorption in the spectrum indicates tau about 0.3 of red-yellow haze, although some color may also arise from complex organics partially visible on the surface. An analysis of this and other (spectro)photometric evidence indicates that Triton most likely has a bright surface, which was partially visible in 1977-1980. Geometric albedo p = 0.62 + 0.18 or - 0.12 radius r = 1480 + or - 180 km, and temperature T = 48 + or - 6 K. With scattering optical depths of 0.3-3 and about 1-10 mb of N2, a Mars-like atmospheric density and surface visibility pertain.

Thompson, W. Reid↗
NASA NTRS1990

Multispectral remote sensing contribution to land surface evaporation

The global water cycle is perhaps the most important of all the biogeochemical cycles and evaporation, which is a significant component of the water cycle, is also linked with the energy and carbon cycles. Long-term evaporation over large areas has generally been computed as the difference of precipitation and river runoff. Analysis of short-term evaporation rate and its spatial pattern, however, is extremely complex, and multispectral remotely sensed data could aid in such analysis. Multispectral data considered here are visible and near-infrared reflectances, infrared surface temperature and the 37 GHz brightness temperatures. These observations are found to be not totally independent of each other. A few of their relationships are established and discussed considering physically-based models.

Choudhury, B. J.↗
NASA NTRS1991

Navier-Stokes solutions about the F/A-18 wing-LEX-fuselage configuration with multi-block structured grids

Three-dimensional thin-layer Navier-Stokes computations are presented for the F/A-18 configuration. The modeled configuration includes an accurate surface representation of the fuselage, leading-edge-extension, as well as the wing with and without leading-edge-flap deflection. A multi-block structured volume grid with various topologies is generated using transfinite interpolation technique. The flowfield domain is divided into twenty blocks, each representing a particular geometrical complexity of the configuration. The results are obtained from an algorithm for solving the compressible Navier-Stokes equations that incorporates an upwind-biased, flux-difference-splitting approach. In addition, a newly developed capability that allows for generalized surface patching among blocks is employed. Turbulent results are presented for flow conditions that correspond to recent NASA F/A-18 High Alpha Research Vehicle flight experiments. Good correlations between the computations and the flight test results are disclosed for both surface flow patterns as well as surface pressure distributions.

Ghaffari, Farhad↗
NASA NTRS1995

Surface temperature of a magnetized neutron star and interpretation of the ROSAT data. 1: Dipole fields

We model the temperature distribution at the surface of a magnetized neutron star and study the effects on the observed X-ray spectra and light curves. Generalrelativistic effects, i.e., redshift and lensing, are fully taken into account. Atmospheric effects on the emitted spectral flux are not included: we consider only blackbody emission at the local effective temperature. In this first paper we restrict ourselves to dipole fields. General features are studied and compared with the ROSAT data from the pulsars 0833 - 45 (Vela), 0656 + 14, 0630 + 178 (Geminga), and 1055 - 52, the four cases for which there is strong evidence that thermal radiation from the stellar surface is detected. The composite spectra we obtain are not very different from a blackbody spectrum at the star's effective temperature. We conclude that, as far as blackbody spectra are considered, temperature estimates using single-temperature models give results practically identical to our composite models. The change of the (composite blackbody) spectrum with the star's rotational phase is also not very large and may be unobservable inmost cases. Gravitational lensing strongly suppresses the light curve pulsations. If a dipole field is assumed, pulsed fractions comparable to the observed ones can be obtained only with stellar radii larger than those which are predicted by current models of neutron star struture, or with low stellar masses. Moreover, the shapes of the theoretical light curves with dipole fields do not correspond to the observations. The use of magnetic spectra may raise the pulsed fraction sufficiently but will certainly make the discrepancy with the light curve shapes worse: dipole fields are not sufficient to interpret the data. Many neutron star models with a meson condensate or hypersons predict very small radii, and hence very strong lensing, which will require highly nondipolar fields to be able to reproduce the observed pulsed fractions, if possible at all: this may be a new tool to constrain the size of neutron stars. The pulsed fractions obtained in all our models increase with photon energy: the strong decrease observed in Geminga at energies 0.3-0.5 keV is definitely a genuine effect of the magnetic field on the spectrum in contradistinction to the magnetic effects on the surface temperature considered her. Thus, a detailed analysis of thermal emission from the four pulsars we consider will require both complex surface field configurations and the inclusion of magnetic effects in the atmosphere (i.e., on the emitted spectrum).

Page, Dany↗
NASA NTRS1997

Toward Understanding Wake Vortices and Atmospheric Turbulence Interactions Using Large-Eddy Simulation

The vortices produced by an aircraft in flight are a complex phenomena created from a 'sheet of vorticity' leaving the trailing edge of the aircraft surfaces. This sheet tends to roll-up into two counter-rotating vortices. After a few spans downstream of the aircraft, the roll-up process is complete and the vortex pair may be characterized in a simple manner for modeling purposes. Our research will focus on what happens to these post roll-up vortices in the vicinity of an airport terminal. As the aircraft wake vortices descend, they are transported by the air mass which they are embedded and are decayed by both internal and external processes. In the vicinity of the airport, these external influences are usually due to planetary boundary layer (PBL) turbulence. Using large-eddy simulation (LES), one may simulate a variety of PBL conditions. In the LES method, turbulence is generated in the PBL as a response to surface heat flux, horizontal pressure gradient, wind shear, and/or stratification, and may produce convective or unstably stratified, neutral, or stably stratified PBL's. Each of these PBL types can occur during a typical diurnal cycle of the PBL. Thus it is important to be able to characterize these conditions with the LES method. Once this turbulent environment has been generated, a vortex pair will be introduced and the interactions are observed. The objective is to be able to quantify the PBL turbulence vortex interaction and be able to draw some conclusions of vortex behavior from the various scale interactions. This research is ongoing, and we will focus on what has been accomplished to date and the future direction of this research. We will discuss the model being used, show results that validate its use in the PBL, and present a nested-grid method proposed to analyze the entire PBL and vortex pair simultaneously.

DeCroix, David↗
NASA NTRS2011

Linear Quadratic Tracking Design for a Generic Transport Aircraft with Structural Load Constraints

When designing control laws for systems with constraints added to the tracking performance, control allocation methods can be utilized. Control allocations methods are used when there are more command inputs than controlled variables. Constraints that require allocators are such task as; surface saturation limits, structural load limits, drag reduction constraints or actuator failures. Most transport aircraft have many actuated surfaces compared to the three controlled variables (such as angle of attack, roll rate & angle of side slip). To distribute the control effort among the redundant set of actuators a fixed mixer approach can be utilized or online control allocation techniques. The benefit of an online allocator is that constraints can be considered in the design whereas the fixed mixer cannot. However, an online control allocator mixer has a disadvantage of not guaranteeing a surface schedule, which can then produce ill defined loads on the aircraft. The load uncertainty and complexity has prevented some controller designs from using advanced allocation techniques. This paper considers actuator redundancy management for a class of over actuated systems with real-time structural load limits using linear quadratic tracking applied to the generic transport model. A roll maneuver example of an artificial load limit constraint is shown and compared to the same no load limitation maneuver.

Burken, John J.↗
DOE OSTI2023

Learning heterogeneous reaction kinetics from X-ray movies pixel-by-pixel

Reaction rates at spatially heterogeneous, unstable interfaces are notoriously difficult to quantify, yet are essential in engineering many chemical systems, such as batteries 1 and electrocatalysts 2. Experimental characterizations of such materials by operando microscopy produce rich image datasets 3–6, but data-driven methods to learn physics from these images are still lacking because of the complex coupling of reaction kinetics, surface chemistry and phase separation 7. Here we show that heterogeneous reaction kinetics can be learned from in situ scanning transmission X-ray microscopy (STXM) images of carbon-coated lithium iron phosphate (LFP) nanoparticles. Combining a large dataset of STXM images with a thermodynamically consistent electrochemical phase-field model, partial differential equation (PDE)-constrained optimization and uncertainty quantification, we extract the free-energy landscape and reaction kinetics and verify their consistency with theoretical models. We also simultaneously learn the spatial heterogeneity of the reaction rate, which closely matches the carbon-coating thickness profiles obtained through Auger electron microscopy (AEM). Across 180,000 image pixels, the mean discrepancy with the learned model is remarkably small (<7%) and comparable with experimental noise. Our results open the possibility of learning nonequilibrium material properties beyond the reach of traditional experimental methods and offer a new non-destructive technique for characterizing and optimizing heterogeneous reactive surfaces.

Chueh, William↗
DOE OSTI2023

Peatland hydrology across scale: a probabilistic framework for confronting variability, heterogeneity, and uncertainty (Final Report)

Our project aimed to guide the representations of peatland hydrology and water-carbon feedbacks within Earth System Models, by improving process understanding and developing parsimonious models that elucidate the effects of hydroclimatic variability and spatial heterogeneity. Our research questions centered on the three key drivers of peatland hydrology: (1) seasonal and interannual hydroclimatic fluctuations, (2) spatial heterogeneity of peatland microtopography, and (3) hydrological connectivity across landscape units within a peatland watershed. Our analyses and model testing used existing long-term datasets within the Marcell Experimental Forest (MEF), with new data collected whenever necessary. To date, we have demonstrated the strong influence of water table elevations on the temperature sensitivity of CH 4 emissions, using a newly developed eddy covariance dataset spanning eleven years at MEF. Specifically, higher water tables dampen the increase in CH 4 emissions in the spring as well as their decrease in the fall, resulting in hysteresis. These results imply that any hydroclimatological changes in peatlands that shift seasonal water availability from winter to summer will increase annual CH 4 emissions, even if soil temperature remains unchanged. To further investigate water table elevation change within the peatland microtopography, we installed automated water table gauges across four bog-forest transects (the “lagg”) in two peatland watersheds at MEF, which are hotspots of intense biogeochemical activity. These measurements will give us new information about the extent of lagg expansion and contraction during snowmelt and high intensity rainfall events, as well as the directionality of water and nutrient flow into the bog from the surrounding forests. Finally, we investigated the hydrological connectivity across the peatland watershed complex during early spring – a critical period where water table is elevated from snowmelt – using extended hydrological records from MEF (e.g., snow and frost depths, water table elevations, streamflow). The importance of thermal and wintertime processes within the Energy Exascale Earth System Model (E3SM) was determined through sensitivity analyses. Results from data analyses show that (i) streamflow has decreased over decades likely due to increased evapotranspiration rates (despite no detectable trends in precipitation), (ii) spring streamflow generation is controlled by a sequence of fill-and-spill pathways from the snowpack to the stream through peatland water stores, and (iii) frost depth is a key explanatory variable for the timing and magnitude of streamflow. These results suggest that frost plays an important role in connecting surface water storage in peatlands to stream outlets, and that the hydrological connectivity across the peatland watershed complex can mediate the sensitivity of hydrological responses to climate variations.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2002

Investigation of Body Force Effects on Flow Boiling Critical Heat Flux

The bubble coalescence and interfacial instabilities that are important to modeling critical heat flux (CHF) in reduced-gravity systems can be sensitive to even minute body forces. Understanding these complex phenomena is vital to the design and safe implementation of two-phase thermal management loops proposed for space and planetary-based thermal systems. While reduced gravity conditions cannot be accurately simulated in 1g ground-based experiments, such experiments can help isolate the effects of the various forces (body force, surface tension force and inertia) which influence flow boiling CHF. In this project, the effects of the component of body force perpendicular to a heated wall were examined by conducting 1g flow boiling experiments at different orientations. FC-72 liquid was boiled along one wall of a transparent rectangular flow channel that permitted photographic study of the vapor-liquid interface at conditions approaching CHF. High-speed video imaging was employed to capture dominant CHF mechanisms. Six different CHF regimes were identified: Wavy Vapor Layer, Pool Boiling, Stratification, Vapor Counterflow, Vapor Stagnation, and Separated Concurrent Vapor Flow. CHF showed great sensitivity to orientation for flow velocities below 0.2 m/s, where very small CHF values where measured, especially with downflow and downward-facing heated wall orientations. High flow velocities dampened the effects of orientation considerably. Figure I shows representative images for the different CHF regimes. The Wavy Vapor Layer regime was dominant for all high velocities and most orientations, while all other regimes were encountered at low velocities, in the downflow and/or downward-facing heated wall orientations. The Interfacial Lift-off model was modified to predict the effects of orientation on CHF for the dominant Wavy Vapor Layer regime. The photographic study captured a fairly continuous wavy vapor layer travelling along the heated wall while permitting liquid contact only in wetting fronts, located in the troughs of the interfacial waves. CHF commenced when wetting fronts near the outlet were lifted off the wall. The Interfacial Lift-off model is shown to be an effective tool for predicting the effects of body force on CHF at high velocities.

Zhang, Hui↗
NASA NTRS1971

Mechanism of underthrusting in southwest Japan: A model of convergent plate interactions

An elastic rebound mechanism consistent with underthrusting at the time of the magnitude 8.2 Nankaido earthquake of 21 December, 1946 accounts for a reversal in sense between seismic and preseismic changes in elevation throughout a large portion of southwest Japan. It is shown that the seismic movements during the earthquake were generated by slip on a complex thrust fault that is inferred to intersect the surface near the base of the continental slope. The preseismic deformation is explained by strain accumulation equivalent to a virtual dislocation with the same orientation as the fault surface but a sense opposite to that of the real dislocation that occurred at the time of the earthquake. Adjustments by slip along the fault surface and extensions of that surface can account for postseismic movements.

Fitch, T. J.↗