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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Delivery-Risk-Aware Flexibility Scheduling and Dispatch for Aggregated Flexible Loads

Flexible loads like smart thermostats and water heaters can shift energy consumption and provide flexibility to the grid. However, this flexibility is dependent on occupant behavior and can lead to delivery risk, which causes utilities and grid operations to consider them as unreliable for purposes of grid operation. To date, they have not been well integrated into wholesale electricity markets or ancillary service offerings. With proper consideration of uncertainty and risk, these resources can be one of the most cost-effective sources of flexibility. This work uses stochastic optimization to quantify and bid flexibility from a fleet of flexible resources while considering their delivery risk.

DER↗
NASA NTRS1998

Modeling the Growth Rates of Tetragonal Lysozyme Crystal Faces

The measured macroscopic growth rates of the (110) and (101) faces of tetragonal lysozyme show an unexpectedly complex dependence on the supersaturation. The growth rates decay asymptotically to zero when the supersaturation is lowered to zero and increase rapidly when the supersaturation is increased. When supersaturations are increased still further the growth rates attain a maximum before starting to decrease. However, growth of these crystals is known to proceed by the classical dislocation and 2D nucleation growth mechanisms. This anomaly can be explained if growth is assumed to occur not by monomer units but by lysozyme aggregates. Analysis of the molecular packing of these crystals revealed that they were constructed of strongly bonded 4(sub 3) helices, while weaker bonds were responsible for binding the helices to each other. It follows that during crystal growth the stronger bonds are formed before the weaker ones. Thus, the growth of these crystals could be viewed as a two step process: aggregate growth units corresponding to the 4(sub 3) helix are first formed in the bulk solution by stronger intermolecular bonds and then attached to the crystal face by weaker bonds on dislocation hillocks or 2D islands. This will lead to a distribution of aggregates in the solution with monomers and lower order aggregates being predominant at low supersaturations and higher order aggregates being predominant at high supersaturations. If the crystal grows mostly by higher order aggregates, such as tetramers and octamers, it would explain the anomalous dependence of the growth rates on the supersaturation. Besides the analysis of molecular packing, a comprehensive analysis of the measured (110) and (101) growth rates was also undertaken in this study. The distribution of aggregates in lysozyme nutrient solutions at various solution conditions were determined from reversible aggregation reactions at equilibrium. The supersaturation was defined for each aggregate species with respect to its concentration at saturation in order to apply growth rate models to this process. The measured growth rates were then compared with the predicted ones from several dislocation and 2D nucleation growth models, employing tetramer and octamer growth units in polydisperse solutions and monomer units in monodisperse solutions. For the (110) face, the calculations consistently showed that the measured growth rates followed the expected model relations with octamer growth units. For the (101) face, it is not possible to obtain a clear agreement between the predicted and measured growth rates for a single growth unit as done for the (110) face. However, the calculations do indicate that the average size of the growth unit is between a tetramer and an octamer. This suggests that tetramers, octamers and other intermediate size growth units all participate in the growth process for this face. These calculations show that it is possible to model the macroscopic protein crystal growth rates if the molecular level processes can be account for, particularly protein aggregation processes in the bulk solution. Our recent investigations of tetragonal lysozyme crystals employing high resolution atomic force microscopy scans have further confirmed the growth of these crystals by aggregate growth units corresponding to 4(sub 3) helices.

Li, Meirong↗
NASA NTRS1999

"Electrostructural Phase Changes" In Charged Particulate Clouds: Planetary and Astrophysical Implications

There is empirical evidence that freely-suspended triboelectrostatically charged particulate clouds of dielectric materials undergo rapid conversion from (nominally) monodispersed "aerosols" to a system of well-defined grain aggregates after grain motion or fluid turbulence ceases within the cloud. In United States Microgravity Laboratory Space Shuttle experiments USML-1 and USML-2, it was found that ballistically-energized grain dispersions would rapidly convert into populations of filamentary aggregates after natural fluid (air) damping of grain motion. Unless continuously disrupted mechanically, it was impossible to maintain a non-aggregated state for the grain clouds of sand-size materials. Similarly, ground- based experiments with very fine dust-size material produced the same results: rapid, impulsive "collapse" of the dispersed grains into well-defined filamentary structures. In both ground-based and microgravity experiments, the chains or filaments were created by long-range dipole electrostatic forces and dipole-induced dielectric interactions, not by monopole interactions. Maintenance of the structures was assisted by short-range static boundary adhesion forces and van der Waals interactions. When the aggregate containers in the USML experiments were disturbed after aggregate formation, the quiescently disposed filaments would rearrange themselves into fractal bundles and tighter clusters as a result of enforced encounters with one another. The long-range dipole interactions that bring the grains together into aggregates are a product of randomly-distributed monopole charges on the grain surfaces. In computer simulations, it has been shown that when the force vectors of all the random charges (of both sign) on a grain are resolved mathematically by assuming Coulombic interaction between them, the net result is a dipole moment on individual grains, even though the grains are electrically neutral insofar as there is no predominance, on their surface, of one charge sign over another. The random charges of both sign derive from natural grain-to-grain interactions that produce triboelectrification via charge exchange every time grain surfaces make contact with one another. The conversion from a random distribution of grains (upon which there are randomly distributed charges) into an organization of electrostatically-ordered aggregates, can be regarded (within the framework of granular-material science) as an "electrical or Coulombic phase change" of the particulate cloud. It is not totally dissimilar from the more normal phase-change concept in which, for example, a gas with long free-path-molecules suddenly becomes a solid as a result of structural ordering of the molecules (notably, also the result of electronic forces, albeit at a different scale). In both the gas-to-solid case, and the aerosol-to-aggregate case, the same materials and charges are present before and after the phase change, but their arrangement now has a higher degree of order and a lower-energy configuration. An input of energy into the system is required to reverse the situation. The aggregates in the USML experiments were observed to undergo at least two phase changes as noted above. The point about phase changes, and by implication, the "electrostructural" reorganizations in particulate clouds, is the following: (a) they can occur very rapidly, almost spontaneously, above a critical cloud density, (b) in going from a higher energy state to a lower energy state, they convert to a denser system, (c) energy must be required to reverse the situation, implying that energy is released during the high-to-low energy phase change. In applying this information to natural particulate clouds, some inferences can be made (it is stressed that reference is still to dielectric materials attracted by dipole forces). There are several natural settings to which the USML observations apply, and to which the phase-change implications likewise apply. Dense clouds of triboelectrically-charged, kinetically-energized grains are to be found in volcanic eruptions (particularly on earth), aeolian dust storms (particularly on Mars), meteorite impact ejecta curtains (on all planets), in "immature" debris rings around planets (e.g., that from which our own Moon may have condensed), and in gravitationally collapsing protoplanetary dust/planetesimal debris disks where dielectric granules are being increasingly brought into collisional relationships with one another (increasing both charge exchange and physical proximity). It is noted that in many of these cases, the degree of electrical charging on the grains is likely to be much higher than that in the USML experiments where charging was not enhanced above the "normal", naturally encountered level for the particular materials (quartz, glass, and various silicate minerals). Application of the phase-change concept suggests that volcanic, aeolian, and impact debris clouds may, under certain circumstances, undergo rapid, impulsive, or even catastrophic collapse into a denser state that will lead to rapid precipitation or fall-out of suspended particulates. Although this idea has been suggested previously by the author , the phase change concept possibly permits some new insights into cloud-system behavior. For example, in a protoplanetary debris disk, the work of gravity may suddenly be enhanced by electrostatically driven collapse of the system when materials reach a critical intergranular spacing or grain number density. This might reduce the rate of planet formation by orders of magnitude (considering the ratio of g-forces to electrostatic ones for very small grains in close proximity), and indeed, it might drive the collapse into a system configuration that would perhaps not be created by gravity alone. Additional information is contained in the original.

Marshall, J. R.↗
DOE OSTI2025

Probing the shear-induced microstructure of a smectite clay aqueous suspensions using rheo-USANS and rheo-SIPLI measurements

Hypothesis: The static microstructure of aqueous sodium-montmorillonite (Na-Mt) suspensions at low ionic strengths (where Particle Size/Debye Length ≈1) exhibits both the particle–particle ordering as well as aggregation with repulsive ordered domains having characteristic optical birefringence and attractive aggregated entities larger than 20 µm resulting in ever-increasing yield stresses also known as physical aging-rejuvenation behavior. We hypothesize that the attractive particle–particle aggregation is the underlying cause behind the physical aging-rejuvenation behavior observed in Na-Mt suspensions with no contribution from structural dynamics driven by repulsive particle–particle ordering or jamming. Experiments: We investigate the shear-induced microstructure of aqueous Na-Mt suspensions in the sol and gel state using rheo-ultra-small angle neutron scattering (rheo-USANS) experiments at shear rates of 1, 50, 500, and 2000 s −1 . We also perform rheo-shear-induced polarization light imaging (rheo-SIPLI) experiments to relate ordering with shearing and aging. Findings: Shearing the suspensions at low to moderate shear rates induces particle–particle aggregation and shearing at high shear rates induces the breakage of particle–particle aggregation in the sol and gel states, suggesting the microstructural aggregation in the sol and gel state is shear sensitive and a full rejuvenation or breakage of particle–particle aggregation is only achieved at a minimum critical shear rate. The rheo-SIPLI experiments reveal that the sol and gel state exhibited strong Maltese cross patterns at a shear rate of 1000 s −1 , indicating particle–particle ordering. Post shearing, the gel exhibited temporal evolution of storage modulus without any noticeable influence on the appearance of the Maltese cross pattern indicating physical aging and particle ordering are distinct length scale phenomena in Na-Mt suspensions and the physical aging-rejuvenation behaviour is a feature of particle–particle aggregation as opposed to ordering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2011

Numerical Simulations of Single and Multiple Scattering by Fractal Ice Clusters

We consider the scattering model in the form of a vertically and horizontally homogeneous particulate slab of an arbitrary optical thickness composed of widely separated fractal aggregates built of small spherical ice monomers. The aggregates are generated by applying three different approaches, including simulated cluster-cluster aggregation (CCA) and diffusion-limited aggregation (DLA) procedures. Having in mind radar remote-sensing applications, we report and analyze the results of computations of the backscattering circular polarization ratio obtained using efficient superposition T-matrix and vector radiative-transfer codes. The computations have been performed at a wavelength of 12.6 cm for fractal aggregates with the following characteristics: monomer refractive index m=1.78+i0.003, monomer radius r=1 cm, monomer packing density p=0.2, overall aggregate radii R in the range 4<=R<=10 cm and fractal dimensions D(sub f) 2.5 and 3. We show that for aggregates generated with simulated CCA and DLA procedures, the respective values of the backscattering circular polarization ratio differ weakly for D(sub f) 2.5, but the differences can increase somewhat for D(sub f)3, especially in case of an optically semi-infinite medium. For aggregates with a spheroidal overall shape, the dependence of the circular polarization ratio on the cluster morphology can be quite significant and increases with increasing the aspect ratio of the circumscribing spheroid.

Dlugach, Janna M.↗
NASA NTRS2013

SNPP VIIRS Spectral Bands Co-Registration and Spatial Response Characterization

The Visible Infrared Imager Radiometer Suite (VIIRS) instrument onboard the Suomi National Polar‐orbiting Partnership (SNPP) satellite was launched on 28 October 2011. The VIIRS has 5 imagery spectral bands (I-bands), 16 moderate resolution spectral bands (M-bands) and a panchromatic day/night band (DNB). Performance of the VIIRS spatial response and band-to-band co-registration (BBR) was measured through intensive pre-launch tests. These measurements were made in the non-aggregated zones near the start (or end) of scan for the I-bands and M-bands and for a limited number of aggregation modes for the DNB in order to test requirement compliance. This paper presents results based on a recently re-processed pre-launch test data. Sensor (detector) spatial impulse responses in the scan direction are parameterized in terms of ground dynamic field of view (GDFOV), horizontal spatial resolution (HSR), modulation transfer function (MTF), ensquared energy (EE) and integrated out-of-pixel (IOOP) spatial response. Results are presented for the non-aggregation, 2-sample and 3-sample aggregation zones for the I-bands and M-bands, and for a limited number of aggregation modes for the DNB. On-orbit GDFOVs measured for the 5 I-bands in the scan direction using a straight bridge are also presented. Band-to-band co-registration (BBR) is quantified using the prelaunch measured band-to-band offsets. These offsets may be expressed as fractions of horizontal sampling intervals (HSIs), detector spatial response parameters GDFOV or HSR. BBR bases on HSIs in the non-aggregation, 2-sample and 3-sample aggregation zones are presented. BBR matrices based on scan direction GDFOV and HSR are compared to the BBR matrix based on HSI in the non-aggregation zone. We demonstrate that BBR based on GDFOV is a better representation of footprint overlap and so this definition should be used in BBR requirement specifications. We propose that HSR not be used as the primary image quality indicator, since we show that it is neither an adequate representation of the size of sensor spatial response nor an adequate measure of imaging quality.

Suomi NPP VIIRS↗
NASA NTRS2022

Optical properties of morphologically complex black carbon aerosols: Effects of coatings

Optical properties are computed for fractal-like aggregate black carbon (BC) aerosols coated with different substances. Two models are used for these aerosols: (i) the coated aggregate model (model I), where coating is added to the voids and surroundings of BC fractal-like aggregates; and (ii) the closed-cell aggregate model (model II), where coating is added concentrically to each monomer of BC fractal-like aggregates. Our results favor choosing the coated aggregate model (model I) to simulate scattering and absorption by coated BC aerosols because this model is morphologically more realistic, and because this model yields mass absorption cross section (MAC) and backscattering linear depolarization ratio (LDR) values that are consistent with field measurements. Moreover the corresponding computed degree of linear polarization (DoLP) and LDR values are very sensitive to changes in the coating volume fraction (fvol) and the coating refractive index (m). With the same absorbing BC core, the MAC value increases steadily with increasing fvol and m values. For example, using a density of 1.8 g/cm 3 and BC refractive index 1.95 + i0.79, the calculated MAC values for uncoated BC aggregates range from 6.2 to 6.8 m 2 /g at 0.55 µm. When coating material is applied to the BC aggregates, the calculated MAC values for model I particles increase to between 9.8 and 13.2 m 2 /g (depending on m) when fvol = 87.5%. The backscattering LDR values also tend to increase with the increasing m values for the shapes and sizes considered in our study. For model I particles, the backscattering LDR values span a wide range of 4.2–27.8% at a wavelength of 0.35 µm at fvol = 87.5% when m increases from 1.33 to 1.55. Our results are relevant to analyses of polarimetric and lidar observations of smoke particles, especially when these particles undergo hygroscopic growth.

Black carbon aerosols↗
DOE OSTI2024

An ion specific continuum model on ionic surfactant's binary phase diagram in aqueous solution

Here, a continuum aggregation model is proposed to account for specific ion effects, enabling accurate phase diagrams calculations for the micellar, cylindrical and lamellar aggregates of sodium/potassium carboxylate surfactants in aqueous solution across a range of temperatures. Three groups of concentrations at distinctive temperatures are fitted to build empirical temperature dependence given the limited availability of relevant experimental measurements. The specific ion effects are manifested in the aggregates' surface tension as well as in the distributions of counter-ions' concentrations in the vicinity of the aggregates. The aggregates' geometric sizes are well-reproduced. The differential evolution algorithm is applied to address boundary conditions of the electrostatic potential, aggregate size optimization as well as the equilibrium of monomers transferring between the aggregate and aqueous region.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Chemical colloids versus biological colloids: a comparative study for the elucidation of the mechanism of protein fiber formation

Fiber formation from murine serum amyloid A1 (SAA) was compared to the linear aggregation and fiber formation of colloidal gold particles. Here we report the similarities of these processes. Upon incubation with acetic acid, SAA misfolds and adopts a new conformation, which we termed saa. saa apparently is less soluble than SAA in aqueous solution; it aggregates and forms nucleation units and then fibers. The fibers appear as a string of the nucleation units. Additionally, an external electric field promotes saa fiber formation. These properties of saa are reminiscent of colloidal gold formation from gold ions and one-dimensional aggregation of the gold colloids. Colloidal gold particles were also found to be capable of aggregating one-dimensionally under an electric field or in the presence of polylysine. These gold fibers resembled in structure that of saa fibers. In summary, protein aggregation and formation of fibers appear to follow the generalized principles derived in colloidal science for the aggregation of atoms and molecules, including polymers such as polypeptides. The analysis of colloidal gold formation and of one-dimensional aggregation provides a simple model system for the elucidation of some aspects of protein fiber formation.

Colloids↗
NASA NTRS2004

"Smart" Magnetic Fluids Experiment Operated on the International Space Station

InSPACE is a microgravity fluid physics experiment that was operated on the International Space Station (ISS) in the Microgravity Science Glovebox from late March 2003 through early July 2003. (InSPACE is an acronym for Investigating the Structure of Paramagnetic Aggregates From Colloidal Emulsions.) The purpose of the experiment is to obtain fundamental data of the complex properties of an exciting class of smart materials termed magnetorheological (MR) fluids. MR fluids are suspensions, or colloids, comprised of small (micrometer-sized) superparamagnetic particles in a nonmagnetic medium. Colloids are suspensions of very small particles suspended in a liquid. (Examples of other colloids are blood, milk, and paint.) These controllable fluids can quickly transition into a nearly solid state when exposed to a magnetic field and return to their original liquid state when the magnetic field is removed. Controlling the strength of the magnetic field can control the relative stiffness of these fluids. MR fluids can be used to improve or develop new seat suspensions, robotics, clutches, airplane landing gear, and vibration damping systems. The principal investigator for InSPACE is Professor Alice P. Gast of the Massachusetts Institute of Technology (MIT). The InSPACE hardware was developed at the NASA Glenn Research Center. The InSPACE samples were delivered to the ISS in November 2002, on the Space Shuttle Endeavour, on Space Station Utilization Flight UF-2/STS113. Operations began on March 31, 2003, with the processing of three different particle size samples at multiple test parameters. This investigation focused on determining the structural organization of MR colloidal aggregates when exposed to a pulsing magnetic field. On Earth, the aggregates take the shape of footballs with spiky tips. This characteristic shape may be influenced by the pull of gravity, which causes most particles initially suspended in the fluid to sediment, (i.e., settle and collect at the bottom of the cell). In the absence of sedimentation effects on the ISS, the behavior and shape of these MR aggregate structures are dominated exclusively by magnetic and surface tension forces. The microscopic detail of these structures was imaged under two orthogonal camera views. The video was downlinked to the InSPACE team at Glenn's Telescience Support Center and to MIT and also recorded onboard the ISS on videotapes that will be brought back to the ground by the space shuttles. The study examined the effect on the structure formation by varying the magnetic field strength and pulse frequency, and particle size. Fundamental data that characterized the structure formation were obtained. InSPACE completed its last planned test run on July 2, 2003. Operations occurred on 21 days over approximately a 3-month period. Forty-one test points were completed during 26 test runs. During the initial testing, the procedures followed by the crew were modified to maximize the observation of some unexpected and interesting aggregate behavior. As a result Dr. Gast has reported on the formation of aggregate shapes that are more extended and diverse than those observed on the ground. Sheets of magnetic material folded over in a labyrinth pattern and large columnar aggregates with complex interfaces with the surrounding fluid are examples of the interesting structures that have been observed on the ISS. In light of these early findings, the understanding of the fundamental properties of MR fluids on the basis of ground-based observations may need to be reconsidered.The experiments on the ISS have provided a vast amount of video data for analysis. While this analysis is ongoing, plans are being made for additional experimental runs. For this purpose, additional hardware and cells containing samples of different magnetic particles and sizes are being fabricated for a future launch to the ISS. The InSPACE hardware will remain on orbit until this testing is completed.

Agui, Juan H.↗
NASA NTRS2014

Soot Superaggregates from Flaming Wildfires and Their Direct Radiative Forcing

Wildfires contribute significantly to global soot emissions, yet their aerosol formation mechanisms and resulting particle properties are poorly understood and parameterized in climate models. The conventional view holds that soot is formed via the cluster-dilute aggregation mechanism in wildfires and emitted as aggregates with fractal dimension D(sub f) approximately equals 1.8 mobility diameter D(sub m) (is) less than or equal to 1 micron, and aerodynamic diameter D(sub a) (is) less than or equal to 300 nm. Here we report the ubiquitous presence of soot superaggregates (SAs) in the outflow from a major wildfire in India. SAs are porous, low-density aggregates of cluster-dilute aggregates with characteristic D(sub f) approximately equals 2.6,D(sub m) (is) greater than 1 micron, and D(sub a) is less than or equal to 300 nm that form via the cluster-dense aggregation mechanism.We present additional observations of soot SAs in wildfire smoke-laden air masses over Northern California, New Mexico, and Mexico City. We estimate that SAs contribute, per unit optical depth, up to 35% less atmospheric warming than freshly-emitted (D(sub f) approximately equals 1.8) aggregates, and approximately equals 90% more warming than the volume-equivalent spherical soot particles simulated in climate models.

SAS↗
DOE OSTI2025

Size-Transferable Prediction of Excited State Properties for Molecular Assemblies with a Machine Learning Exciton Model

Computational modeling of the excited states of molecular aggregates faces significant computational challenges and size heterogeneity. Current machine learning (ML) models, typically trained on specific-sized aggregates, struggle with scalability. We found that the exciton model Hamiltonian of large aggregates can be decomposed into dimer pairs, allowing an ML model trained on dimers to reconstruct Hamiltonians for aggregates of any size. We also proposed a new method to address the phase-correction problem by introducing coupling terms’ approximations. Our model accurately predicted the excitation energies of the trimer and tetramer of perylene and tetracene and estimated S1 oscillator strengths of perylene aggregates. Leveraging our ML model, the optical gaps of nanosized perylene aggregates with up to 50 monomers are analyzed, qualitatively revealing the role of different couplings on their size dependency. Future work will explore transferability across different monomers to predict optical properties in heterogeneous assemblies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗