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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Dynamic Shaping of Grid Response of Multi-Machine Multi-Inverter Systems Through Grid-Forming IBRs: Preprint

We consider the problem of controlling the frequency response of weakly-coupled multi-machine multi-inverter low-inertia power systems via grid-forming inverter-based resources (IBRs). In contrast to existing methods, our approach relies on dividing the larger system into multiple strongly-coupled subsystems, without ignoring either the underlying network or approximating the subsystem response as an aggregate harmonic mean model. Rather, through a structured clustering and recursive dynamic shaping approach, the frequency response of the overall system to load perturbations is shaped appropriately. We demonstrate the proposed approach for a three-node triangular configuration and a small-scale radial network. Furthermore, for small-scale radial microgrids, we demonstrate the ability of IBRs to tune the effective transfer functions of synchronous machines. This enables us to relax the uniform turbine time-constant assumptions and widen the scope of existing synchronization results for proportionally heterogeneous machines.

frequency-shaping control↗
DOE OSTI2024

Effect of Molecular Conformation on Intermolecular Interactions and Photovoltaic Performances of Giant Molecule Acceptors

The molecular conformation of giant molecule acceptors (GMAs) plays a significant role in regulating the intermolecular interactions and their photovoltaic performances in organic solar cells (OSCs). For the linear GMA GT‐l, the stronger homo‐molecular interaction causes its aggregation being weakly affected by the donor, thus forming an ordered molecular stacking and proper phase separation in its blend film. The star‐shaped GMA GT‐s‐based blend film shows a dominant hetero‐molecular interaction that suppresses the aggregation of the donor and acceptor, resulting in smaller phase separation and more uniform vertical phase distribution. While for another star‐shaped GMA GTs, the weakest hetero‐molecular interaction causes its blend film to form larger phase separation. Therefore, the GT‐l based OSC with PM6 as donor shows the highest charge mobilities, the fastest charge transfer (CT) process, reduced energy loss and less charge recombination, contributing to a higher power conversion efficiency (PCE) of 19.03%. Comparatively, the PCEs of the OSCs based on GTs and GT‐s are 18.05% and 17.58% respectively. Notably, all the three GMAs based OSCs show excellent thermal stability and long‐term storage stability. This study provides a facile strategy by tuning the linking unit and its connecting mode for designing highly efficient and stable organic photovoltaic materials.

Chemistry↗
DOE OSTI2025

New Phosphoranylideneketenes and Phosphoranylidenethioketenes‐Synthesis, Structure, Spectroscopy, and Lewis Base Properties

Posphoranylideneketene Ph 3 PCCO and its sulfur analogue, Ph 3 PCCS, are cumulated ylides that exhibit diverse reactivity and distinct structural features. Herein, we present the first systematic study of substituent effects on the structures and bonding of a series of aryl- and alkyl-substituted phosphoranylideneketenes, R 3 PCCO [R = Et, cyclohexyl, NMe 2 , 4-Me 2 N-C 6 H 4 , 4-MeO-C 6 H 4 , 4-CF 3 -C 6 H 4 , 3,5-(CF 3 ) 2 -C 6 H 3 ], prepared from the corresponding phosphonium salts, [R 3 PCH 2 COOEt]X (X = Br, I) and two equivalents of Na[N(SiMe 3 ) 2 ]. Multinuclear NMR and IR spectroscopy, supported by single-crystal X-ray diffraction, revealed that the bond strength within the central P═C═C═O fragment increases with the electron-deficiency of the aryl substituents at phosphorus. The corresponding phosphoranylidenethioketenes, R 3 PCCS (R = Et, cyclohexyl, NMe 2 , 4-Me 2 N-C 6 H 4 , 4-MeO-C 6 H 4 , 4-CF 3 -C 6 H 4 ), were obtained by reactions of R 3 PCCO with CS 2 . Here, the rate of conversion of R 3 PCCO into R 3 PCCS decreases with increasing electron deficiency at phosphorus. Both R 3 PCCO and R 3 PCCS act as relatively weak ambidentate Lewis donors, yet they form stable acid-base adducts with strong Lewis acids such as B(C 6 F 5 ) 3 and Al(C 6 F 5 ) 3 .

Lewis acid-base adduct↗
DOE OSTI2024

Anion–Cation–Anion Ion Triplet Characterization by Computation and Photoelectron Spectroscopy

Ion triplets of the chloride salts of two commonly used weakly coordinating cations are reported (i.e., Cl – ·NMe 4 + Cl – (1 – ) and Cl – ·PPh 4 + Cl – (2 – )). Negative ion photoelectron spectra at 20 K afford vertical and adiabatic detachment energies of 5.18 and 5.00 eV (1 – ) and 5.03 and 4.70 eV (2 – ), respectively. These results are well reproduced by coupled cluster calculations with single, double, and perturbative triple excitations (CCSD(T)) whereas M06-2X is systematically too small by ~0.3 eV (i.e., 7 kcal mol –1 ). The structures of both 1 – and 2 – have five or six C–H···Cl – interactions that stabilize these cluster anions by 32 (1 – ) and 27 (2 – ) kcal mol –1 as given by their chloride dissociation enthalpies. In conclusion, these values drop to 7.4 and 3.8 kcal mol –1 in dichloromethane based up conductor-like polarizable continuum model calculations and suggest that X – ·M + X – ion triplets with a weakly coordinating cation maybe the reactive form of salts under some conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Optimizing semi-hydrogenation of unsaturated hydrocarbons by electrolyte engineering approach

Electrochemical hydrogenation of unsaturated hydrocarbons, when powered by renewables, represents a unique opportunity to substitute current energy-intensive synthetic routes. Modulation of adsorption energies of the organic substrate and key intermediates of the reaction is critical for fine tuning of the yield, selectivity and kinetics of the reaction. Interestingly, mounting evidence exists regarding the role of electrolyte composition in the outcome of semi-hydrogenation reactions. Nevertheless, electrolyte optimization is a complex task, owing to its hybrid nature. Indeed, it is composed of water serving as a proton source, an organic solvent necessary to dissolve the organic substrate and a conducting salt. Herein, we demonstrate that varying conducting salt and organic solvent has a dramatic impact on the outcomes of semi-hydrogenation of alkynes. By varying salt and water concentrations, we demonstrate that water does not serve as a proton source, and instead addition of an acid is necessary. While increasing the acid concentration increases the yield of the reaction, at too large concentrations the hydrogen evolution reaction becomes predominant. Furthermore, by combining electrochemical measurements with spectroscopic techniques including Fourier transform infrared (FTIR) spectroscopy and small angle X-ray spectroscopy (SAXS), we demonstrate that the electrolyte solvation structure dramatically impacts the yield of the reaction. Organic solvents weakly interacting with water, including acetonitrile, form aqueous nanoheterogeneities that prevent the organic substrate from accessing the catalyst interface and thus lead to limited yields. Instead, solvents such as dimethylformamide form homogeneous mixtures with which all reactants can access the interface, leading to yields greater than 80% for optimized compositions.

Zhang, Rongyu↗
DOE OSTI2024

The 650 °C Tensile Deformation of Graded IN718-René41 Superalloy Fabricated by Laser Blown-Powder Directed Energy Deposition

The microstructure and 650 °C tensile properties of a compositionally graded IN718-René41 (718-R41) superalloy fabricated by laser blown-powder directed energy deposition (DED-LB/M) are investigated to understand structure–property relationships and baseline tensile properties. Digital Image Correlation (DIC), in situ neutron diffraction, and conventional characterization techniques are performed to study the as-built and heat-treated states. The applied heat treatment generates static recrystallization and equiaxed grains in 718-rich compositions, while R41-rich compositions remain partially or un-recrystallized possibly influenced by a higher MC carbide fraction (>0.5%). The yield strengths of the 718 and R41 sections in the heat-treated state are comparable to wrought forms but the graded compositions show weakness due to unoptimized heat treatment. Diffraction elastic constants first decrease and then increase along the 718-R41 composition gradient, while a small difference is observed between the as-built and heat-treated states and γ, γ′ phases. Overall, the compositionally graded region shows a smooth transition in the elastic properties. Grain-level load transfer from the (220) to (200) grains shows compositional dependence, and qualitatively agrees with DIC-measured macroscopic yield strength. Within the (200) grains, the γ/γ′ phases deform elastically until the γ phase yields and afterwards, the γ′ phase takes load from the γ phase.

Huang, Shenyan (ORCID:0000000196528114)↗
NASA NTRS1981

Possible terrestrial analogs of Valhalla and other ripple-ring basins

The most remarkable feature on Callisto is Valhalla, a 3000 km wide structure comprised of dozens of concentric ridges and scarps surrounding a central smooth zone. Conventionally, Valhalla is interpreted as a multi-ring impact basin (similar to those on the terrestrial planets) whose morphology has been strongly effected by a thin and weak icy lithosphere in which it formed. Alternatively, Valhalla may have been formed by some non-impact related processes. In particular, ice cauldrons formed in Iceland by subsidence of glacier ice into voids created by geothermal melting are grossly similar to Valhalla in that both formed in ice and have multiple rings. Theoretical support for a similar subsidence mode of origin for Valhalla is provided by models of the thermal evolution of ice-silicate planets that result in diapiric sinking of lithospheric material into a water mantle (e.g., Paramentier and Head, 1979).

Wood, C. A.↗
NASA NTRS1988

A theoretical framework for convergence and continuous dependence of estimates in inverse problems for distributed parameter systems

Numerical techniques for parameter identification in distributed-parameter systems are developed analytically. A general convergence and stability framework (for continuous dependence on observations) is derived for first-order systems on the basis of (1) a weak formulation in terms of sesquilinear forms and (2) the resolvent convergence form of the Trotter-Kato approximation. The extension of this framework to second-order systems is considered.

Banks, H. T.↗
NASA NTRS1994

Ultraluminous starbursts in major mergers

We use numerical simulation to investigate the triggering of starbursts in merging disk galaxies. The properties of the merger-driven starbursts are sensitive to the structure of the progenitor galaxies; specifically, to the amount of material in a dense central bulge. Galaxies without bulges develop bars shortly after their first close passage, driving significant gas inflow and subsequent starbursts in the centers of the galaxies. These starbursts significantly deplete the star-forming gas, so that only relatively weak starbursts arise during the final merger. By contrast, models of galaxies with central bulges show that a bulge acts to stabilize the galaxies against inflow and starbursts until the galaxies actually merge. At this time, strong dissipation leads to the formation of a massive central gas mass and an ensuing star-formation rate two orders of magnitude greater than that in our isolated disk models. These starbursts are very short in duration, typically approximately 50 Myr, suggesting that the rarity of ultraluminous infrared galaxies is a result of their being in a very short evolutionary phase, rather than special and rare formation conditions. The fact that these mergers display many of the properties of ultraluminous infrared galaxies--tidal features, double nuclei, massive compact gas concentrations, and extreme levels of starburst activity--suggets that merger-driven starbursts can explain the emission from many ultraluminous infrared galaxies without an active nucleus.

Mihos, J. Christopher↗
NASA NTRS2000

Preparation of Ion Exchange Films for Solid-Phase Spectrophotometry and Solid-Phase Fluorometry

Atomic spectroscopy has dominated the field of trace inorganic analysis because of its high sensitivity and selectivity. The advantages gained by the atomic spectroscopies come with the disadvantage of expensive and often complicated instrumentation. Solid-phase spectroscopy, in which the analyte is preconcentrated on a solid medium followed by conventional spectrophotometry or fluorometry, requires less expensive instrumentation and has considerable sensitivity and selectivity. The sensitivity gains come from preconcentration and the use of chromophore (or fluorophore) developers and the selectivity is achieved by use of ion exchange conditions that favor the analyte in combination with speciative chromophores. Little work has been done to optimize the ion exchange medium (IEM) associated with these techniques. In this report we present a method for making ion exchange polymer films, which considerably simplify the solid-phase spectroscopic techniques. The polymer consists of formaldehyde-crosslinked polyvinyl alcohol with polyacrylic acid entrapped therein. The films are a carboxylate weak cation exchanger in the calcium form. They are mechanically sturdy and optically transparent in the ultraviolet and visible portion of the spectrum, which makes them suitable for spectrophotometry and fluorometry.

Hill, Carol M.↗
NASA NTRS2002

Mechanisms for the Dissipation of Alfven Waves in Near-Earth Space Plasma

Alfven waves are a major mechanism for the transport of electromagnetic energy from the distant part of the magnetosphere to the near-Earth space. This is especially true for the auroral and polar regions of the Earth. However, the mechanisms for their dissipation have remained illusive. One of the mechanisms is the formation of double layers when the current associated with Alfven waves in the inertial regime interact with density cavities, which either are generated nonlinearly by the waves themselves or are a part of the ambient plasma turbulence. Depending on the strength of the cavities, weak and strong double layers could form. Such double layers are transient; their lifetimes depend on that of the cavities. Thus they impulsively accelerate ions and electrons. Another mechanism is the resonant absorption of broadband Alfven- wave noise by the ions at the ion cyclotron frequencies. But this resonant absorption may not be possible for the very low frequency waves, and it may be more suited for electromagnetic ion cyclotron waves. A third mechanism is the excitation of secondary waves by the drifts of electrons and ions in the Alfven wave fields. It is found that under suitable conditions, the relative drifts between different ion species and/or between electrons and ions are large enough to drive lower hybrid waves, which could cause transverse accelerations of ions and parallel accelerations of electrons. This mechanism is being further studied by means of kinetic simulations using 2.5- and 3-D particle-in-cell codes. The ongoing modeling efforts on space weather require quantitative estimates of energy inputs of various kinds, including the electromagnetic energy. Our studies described here contribute to the methods of determining the estimates of the input from ubiquitous Alfven waves.

Singh, Nagendra↗
NASA NTRS2004

Discovery of Extremely Embedded X-ray Sources in the R Coronae Australis Star Forming Core

We detected three extremely embedded X-ray sources in the R Corona Australis (R CrA) star forming core, IRS 7 region. Two weak X-ray sources are associated with the VLA centimeter radio sources 10E & W, whereas the third brightest source detected in the two XMM-Newton observations on March 2003 has no counterpart at any wavelengths. The large K-band upper-limit (19.4m) measured with the University of Hawaii 88-inch Telescope and strong absorption derived in X-rays (N(sub H) approx. 2.8 x 10(exp 23)/sq cm equivalent to A(sub v) approx. 180 m) indicate that the source is younger than typical Class I protostars, i.e. a Class 0 protostar or an intermittent phase between Class 0 and Class I protostars. The X-ray luminosity was less than one thirtieth (log L(sub x) less than or approx. equals 29.3 ergs/s) in the former Chandra observation in October 2000, which suggests that the X-ray activity, probably generated by magnetic activity, is triggered by an intermittent mass accretion episode such as FU Ori type outbursts. Because the source was detected at high significance in the XMM-Newton observations (approx. 2,000 cnts), X-ray properties of such young protostars can be well investigated for the first time. The light curves were constant in the 1st observation and increased linearly by a factor of two during 30 ksec in the 2nd observation. Both spectra showed iron K lines originated in hot thin-thermal plasma and fluorescence by cold gas. They can be reproduced by an absorbed thin-thermal plasma model with a Gaussian component at 6.4 keV (kT approx. 3-4 keV, L(sub x) approx. 7-20 x 10(exp 30) ergs/s). The rising timescale of the light curves in the 2nd observation was too slow for magnetically generated X-ray flares, whereas large equivalent width of the fluorescence iron K line in the 1st observation (approx. 810 eV) requires strong partial covering of the X-ray source. These results suggest that a confined hot (perhaps accretion) spot on the protostellar core was behind the star in the 1st observation and just appeared in the 2nd observation due to the core rotation with period of greater than or approx. 22.8 days, which is much slower than the break-up velocity previously assumed for young protostars. This means that the source had quiescent X-ray activity during the observations with an order of magnitude stronger level than Class I (older) protostars. We also consider whether the X-ray source associated with 10E could be shock heated plasma by a collision of a jet emanating from the tentative Class 0 object.

Hamaguchi, Ken-Ji↗
NASA NTRS2019

Toward Ultralight High Strength Structural Materials via Collapsed Carbon Nanotube Bonding

The growing commercial availability of carbon nanotube (CNT) macro-assemblies such as sheet and yarn is making their use in structural composite components increasingly feasible. However, the mechanical properties of these materials continue to trail those of state-of-the-art carbon fiber composites due to relatively weak inter-tube load transfer. Forming covalent links between adjacent CNTs promises to mitigate this problem, but it has proven difficult in practice to introduce them chemically within densified and aligned CNT materials due to their low permeability. To avoid this limitation, this work explores the combination of pulsed electrical current, temperature, and pressure to introduce inter-CNT bonds. Reactive molecular dynamics simulations identify the most probable locations, configurations, and conditions for inter-nanotube bonds to form. This process is shown to introduce covalent linkages within the CNT material that manifest as improved macroscale mechanical properties. The magnitude of this effect increases with increasing levels of prealignment of the CNT material, promising a new synthesis pathway to ultralight structural materials with specific strengths and stiffnesses exceeding 1 and 100 GPa/(g/cu.cm), respectively.

Jensen, Benjamin D.↗
DOE OSTI2024

Synergistic Anion and Solvent-Derived Interphases Enable Lithium-Ion Batteries under Extreme Conditions

Lithium-ion batteries (LIBs) face increasingly stringent demands as their application expands into new areas, including extreme temperatures and fast charging. To meet these demands, the electrolyte should enable fast lithium-ion transport and form stable interphases on electrodes simultaneously. In practice, however, improving one aspect often compromises another. For instance, the trend toward electrolytes forming anion-derived interphases typically reduces transport efficiency due to weak-solvating solvents. Here, we propose that instead of relying on anions to form the interphase, leveraging both solvents and anions to form interphases can potentially lead to a balancing point between robust interphase formation and effective ion transport. Guided by this design principle, 2,2-difluoroethyl ethyl carbonate (DFDEC) was identified as the promising solvent. With the new electrolyte using DFDEC as the major solvent and lithium bis(fluorosulfonyl) imide (LiFSI) as the salt, graphite||LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) full cells are capable of fast charging and demonstrate long-term cycling stability with a cutoff voltage of 4.5 V. Notably, the battery shows a capacity retention of 84.3% after 500 cycles with an average Coulombic efficiency (CE) as high as 99.93%. This new electrolyte also enables stable battery cycling across a wide temperature range (-20 to 60 °C), with excellent capacity retention.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS2002

Mapping Lithologic Units Exposed on the Summit of Mauna Kea Using AVIRIS Hyperspectral Reflectance Data

The Mauna Kea summit region is largely comprised of cinder cones and lava flows that form the cap of the Mauna Kea Volcano. The cones and flows at the summit are part of the Laupahoehoe Volcanic series. The Laupa hoehoe volcanism occurred both during and after the late Pleistocene Makanaka glacial episode at the summit. In addition, a few Laupahoehoe cones have been glacially eroded as evidenced by oversteepened slopes, which suggests that they predate the Makanaka glacial period. Two notable examples of possible preglacial cones are Puu Waiau and Puu Poliahu. These two cones are also significantly altered, most likely by hydrothermal activity that has weakly cemented the materials on the cones. Well-crystalline sulfates (alunite and jarosite), phyllosilicates, and zeolites, have been found in samples collected from altered cones at the summit. In addition, palagonitic tephra, which have nanophase ferric oxide, allophane, and other poorly crystalline forms of weakly altered basaltic glass (i.e., no phyllosilicates), have been described at several locations on Mauna Kea. While several studies have discussed the occurrence of alteration products on Mauna Kea, the distribution of these materials exposed at the summit has not been extensively mapped. Hyperspectral imaging can provide information for identifying and mapping lithologic units containing alteration minerals, such as are found on Mauna Kea. The Airborne Visible Infrared Imaging Spectrometer (AVIRIS) is a hyperspectral imaging instrument that covers the wavelength range from about 0.4 to 2.5 micron in 224 bands, with a band spacing of 10 nm and average band width of 10 nm

Guinness, E. A.↗
NASA NTRSDate not supplied

The Origin of Palimpsests

Palimpsests are the most enigmatic impact features observed on icy worlds of the Solar System. Palimpsests are large impact features which are bright, old, mostly flat, and roughly circular. They range from >150 to ~350 km in diameter and sometimes exhibit recognizable associated radial secondary ejecta crater strings beyond their rims. Curiously, among all the Solar System's icy worlds, palimpsests are exclusively seen on the icy Galilean moons. Palimpsests are obviously different than similarly sized impact features seen on other icy satellites. For example, Evander, a 350 km diameter peak-ring impact basin on Saturn’s moon Dione, has a very low depth/diameter ratio of 0.008, indicating significant viscous relaxation. Nevertheless, it still retains short wavelength topography including a prominent central peak, peak ring, and a continuous rim, none of which are seen at palimpsests. Palimpsests display an approximately circular, and dominating, expanse of undulating plains, which is level with surrounding terrain and shows no recognizable rim. At the center of palimpsests are smooth central plains that are enclosed by a low scarp. Central plains material superposes the surrounding undulating plains and is littered with small blocks reminiscent of “small chaos” on Europa. Palimpsests have yet to be explored using modern impact simulation tools. We have begun to investigate two competing hypotheses: (A) Palimpsests form on targets which have a preexisting near-subsurface layer that is liquid or solid but very weak, and is excavated as proximal ejecta; or (B) They form in a solid ice target underlain by a steep thermal gradient that strongly influences the resulting impact feature, including the production of impact-induced melting at depth that is then a major component of proximal ejecta. Our results will have profound implications for the early thermal history of the icy Galilean satellites. We will test our two hypotheses for the formation of palimpsests on Ganymede (where they are both best observed and preserved) by means of 2D iSALE hydrodynamic simulations of impacts into ice targets that will be structured according to the scenarios for each hypothesis, with select runs in 3D. We have already conducted a pilot study using 2D iSALE that has yielded promising results, which we will report out at the meeting.

palimpsests↗
DOE OSTI2026

In situ transmission electron microscopy observations of CaCO 3 crystallization onto polysaccharide-coated nanoparticles

Polysaccharides and proteoglycans are widely associated with the organic matrix at sites of CaCO 3 biomineralization, and previous studies indicate that these macromolecules may confer greater roles in mineral nucleation than previously recognized. This investigation uses in situ liquid-phase transmission electron microscopy (LP-TEM) to observe CaCO 3 nucleation onto aminated silica (SiO 2 –NH 3 + ) nanoparticles treated with a layer of chitosan (near-neutral derivative of chitin) or heparin (a carboxylated and highly sulfated glycosaminoglycan). In the absence of polysaccharides, few CaCO 3 particles formed and exhibited mobility. However, the SiO 2 –NH 3 + nanoparticles were enveloped in a region of higher mass density relative to the bulk solution, suggesting the development of a local solute-rich environment that surrounds the charged NH 3 + groups. The heparin- or chitosan-coated silica particles also exhibited regions of higher mass density around the nanoparticles. In the presence of these polysaccharide coatings, we observed the nucleation of abundant CaCO 3 particles whereby the polyanionic heparin promoted more nucleation than the weakly cationic chitosan. Many crystallites appeared to form at the polysaccharide–TEM cell membrane–solution interface, further indicating interfacial and macromolecule-specific control on crystallization. The combined results demonstrate that chitosan and heparin have an appreciable effect on the timing, size, and location of CaCO 3 nucleation compared to the polysaccharide-free nanoparticles.

15 GEOTHERMAL ENERGY↗
NASA NTRS1983

Genesis of tornadoes associated with hurricanes

The climatological history of hurricane-tornadoes is brought up to date through 1982. Most of the tornadoes either form near the center of the hurricane, from the outer edge of the eyewall outward, or in an area between north and east-southeast of the hurricane center. The blackbody temperatures of the cloud tops which were analyzed for several hurricane-tornadoes that formed in the years 1974, 1975, and 1979, did not furnish strong precursor signals of tornado formation, but followed one of two patterns: either the temperatures were very low, or the tornado formed in areas of strong temperature gradients. Tornadoes with tropical cyclones most frequently occur at 1200-1800 LST, and although most are relatively weak, they can reach the F3 intensity level. Most form in association with the outer rainbands of the hurricane.

Gentry, R. C.↗