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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Dynamic processes in transient phases during self-assembly of organic semiconductor thin films

Understanding and manipulating crystallization processes has been an important challenge for solution-processed organic thin films, both for fundamental studies and for fabricating thin films with near-intrinsic charge transport properties. We report an in situ X-ray scattering study of the crystallization of 2-decyl-7-phenyl-[1]benzothieno[3,2-b][1]benzothiophene (Ph-BTBT-C 10 ) during its deposition from solution. At temperatures modestly below the smectic-E/crystalline phase boundary, the crystallization goes through a transient liquid crystal state before reaching the final stable crystalline phase. Significant dynamics occur in the first few seconds of the transition, which are observed through fluctuations in the X-ray scattering intensity, and are correlated with the time interval that the transient thin film coexists with the evaporating solvent. The transition to the stable crystalline phase takes minutes or even hours under these conditions, which may be a result of the asymmetry of the molecule. Transient phases are of potential interest for applications, since they can act as a route to self-assembly of organic thin films. However, our observations show that the long-lived monolayer-stacked intermediate state does not act as a template for the bilayer-stacked crystalline phase. Rather, the grain structure is replaced through nucleation, where the nucleation free-energy barrier is related to a potential barrier that prevents molecules to flip their long axis by 180°.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Composition-induced structural, electrical, and magnetic phase transitions in AX-type mixed-valence cobalt oxynitride epitaxial thin films

Synthesis of mid- to late-transition metal oxynitrides is generally difficult by conventional thermal ammonolysis because of thermal instability. In this letter, we synthesized epitaxial thin films of AX-type phase-pure cobalt oxynitrides (CoO{sub x}N{sub y}) by using nitrogen-plasma-assisted pulsed laser deposition and investigated their structural, electrical, and magnetic properties. The CoO{sub x}N{sub y} thin films with 0 ≤ y/(x + y) ≤ 0.63 grown on MgO (100) substrates showed a structural phase transition from rock salt (RS) to zinc blend at the nitrogen content y/(x + y) ∼ 0.5. As the nitrogen content increased, the room-temperature electrical resistivity of the CoO{sub x}N{sub y} thin films monotonically decreased from the order of 10{sup 5} Ω cm to 10{sup −4} Ω cm. Furthermore, we observed an insulator-to-metal transition at y/(x + y) ∼ 0.34 in the RS-CoO{sub x}N{sub y} phase, which has not yet been reported in Co{sup 2+}/Co{sup 3+} mixed-valence cobalt oxides with octahedral coordination. The low resistivity in the RS-CoO{sub x}N{sub y} phase, on the 10{sup −3} Ω cm order, may have originated from the intermediate spin state of Co{sup 3+} stabilized by the lowered crystal field symmetry of the CoO{sub 6−n}N{sub n} octahedra (n = 1, 2,…5). Magnetization measurements suggested that a magnetic phase transition occurred in the RS-CoO{sub x}N{sub y} films during the insulator-to-metal transition. These results demonstrate that low-temperature epitaxial growth is a promising approach for exploring novel electronic functionalities in oxynitrides.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Imaging single-molecule reaction intermediates stabilized by surface dissipation and entropy

Chemical transformations at the interface between solid/liquid or solid/gaseous phases of matter lie at the heart of key industrial-scale manufacturing processes. A comprehensive study of the molecular energetics and conformational dynamics that underlie these transformations is often limited to ensemble-averaging analytical techniques. In this paper we report the detailed investigation of a surface-catalysed cross-coupling and sequential cyclization cascade of 1,2-bis(2-ethynyl phenyl)ethyne on Ag(100). Using non-contact atomic force microscopy, we imaged the single-bond-resolved chemical structure of transient metastable intermediates. Theoretical simulations indicate that the kinetic stabilization of experimentally observable intermediates is determined not only by the potential-energy landscape, but also by selective energy dissipation to the substrate and entropic changes associated with key transformations along the reaction pathway. Finally, the microscopic insights gained here pave the way for the rational design and control of complex organic reactions at the surface of heterogeneous catalysts.

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

Insulators at fractional fillings in twisted bilayer graphene partially aligned to hexagonal boron nitride

At partial fillings of its flat electronic bands, magic-angle twisted bilayer graphene (MATBG) hosts a rich variety of competing correlated phases that show sample-to-sample variations. Divergent phase diagrams in MATBG are often attributed to the sublattice polarization energy scale, tuned by the degree of alignment of the hexagonal boron nitride (hBN) substrates typically used in van der Waals devices. Unaligned MATBG exhibits unconventional superconductor and correlated insulator phases, while nearly perfectly aligned MATBG/hBN exhibits zero-field Chern insulating phases and lacks superconductivity. Here we use scanning tunneling microscopy and spectroscopy (STM/STS) to observe gapped phases at partial fillings of the flat bands of MATBG in a new intermediate regime of sublattice polarization, observed when MATBG is only partially aligned (θ Gr-hBN ≈ 1.65°) to the underlying hBN substrate. Under this condition, MATBG hosts not only phenomena that naturally interpolate between the two sublattice potential limits, but also unexpected gapped phases absent in either of these limits. At charge neutrality, we observe an insulating phase with a small energy gap (Δ < 5 meV) likely related to weak sublattice symmetry breaking from the hBN substrate. In addition, we observe new gapped phases near fractional fillings ν = ±1/3 and ν = ±1/6, which have not been previously observed in MATBG. Importantly, energy-resolved STS unambiguously identifies these fractional filling states to be of single-particle origin, possibly a result of the super-superlattice formed by two moiré superlattices. Finally, our observations emphasize the power of STS in distinguishing single-particle gapped phases from many-body gapped phases in situations that could be easily confused in electrical transport measurements, and demonstrate the use of substrate engineering for modifying the electronic structure of a moiré flat-band material.

Physics↗
DOE OSTI2019

Interfacial Reactions and Performance of Li 7 La 3 Zr 2 O 12 -Stabilized Li–Sulfur Hybrid Cell

Herein, we report on the characterization of a Li–S hybrid cell containing a garnet solid electrolyte (Li 7 La 3 Zr 2 O 12 , LLZO) and conventional liquid electrolyte. While the liquid electrolyte provided ionically conductive pathways throughout the porous cathode, the LLZO acted as a physical barrier to protect the Li metal anode and prevent polysulfide shuttling during battery operation. This hybrid cell exhibited an initial capacity of 1000 mAh/g(S) and high Coulombic efficiency (>99%). The interface between the liquid electrolyte and LLZO was studied using electrochemical impedance spectroscopy and X-ray photoelectron spectroscopy (XPS). These results indicate that a spontaneous interfacial reaction layer formed between the LLZO and liquid electrolyte. XPS depth profiling experiments indicate that this layer consisted of Li-enriched phases near the surface (e.g., Li 2 CO 3 ) and intermediate Li–La–Zr oxides in subsurface regions. The reaction layer extended well beyond the LLZO surface, and bulk pristine LLZO was not observed even at the deepest sputtering depths used in this study (~90 nm). Overall, these results highlight that developing stable electrode/electrolyte interfaces is critical for solid-state batteries and their hybrids.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Thermodynamics of correlated electrons in a magnetic field

The Hofstadter–Hubbard model captures the physics of strongly correlated electrons in an applied magnetic field, which is relevant to many recent experiments on Moiré materials. Few large-scale, numerically exact simulations exists for this model. In this work, we simulate the Hubbard–Hofstadter model using the determinant quantum Monte Carlo (DQMC) algorithm. We report the field and Hubbard interaction strength dependence of charge compressibility, fermion sign, local moment, magnetic structure factor, and specific heat. The gross structure of magnetic Bloch bands and band gaps determined by the non-interacting Hofstadter spectrum is preserved in the presence of U. Incompressible regions of the phase diagram have improved fermion sign. At half filling and intermediate and larger couplings, a strong orbital magnetic field delocalizes electrons and reduces the effect of Hubbard U on thermodynamic properties of the system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Dust from evolved stars: a pilot analysis of the AGB to PN transition

ABSTRACT We present a novel approach to address dust production by low- and intermediate-mass stars. We study the asymptotic giant branch (AGB) phase, during which the formation of dust takes place, from the perspective of post-AGB and planetary nebula (PN) evolutionary stage. Using results from stellar evolution and dust formation modelling, we interpret the spectral energy distribution of carbon-dust-rich sources currently evolving through different evolutionary phases, believed to descend from progenitors of similar mass and chemical composition. Comparing the results of different stages along the AGB to PNe transition, we can provide distinct insights on the amount of dust and gas released during the very late AGB phases. While the post-AGB traces the history of dust production back to the tip of the AGB phase, investigating the PNe is important to reconstruct the mass-loss process experienced after the last thermal pulse. The dust surrounding the post-AGB was formed soon after the tip of the AGB. The PNe dust-to-gas ratio is ∼10−3, 2.5 times smaller than what expected for the same initial mass star during the last AGB interpulse, possibly suggesting that dust might be destroyed during the PN phase. Measuring the amount of dust present in the nebula can constrain the capacity of the dust to survive the central star heating.

Dell’Agli, F. (ORCID:0000000324426981)↗
DOE OSTI2019

Amplitude analysis of D + → K S 0 π + π + π -

The decay D + → K S 0 π + π + π - is studied with an amplitude analysis using a data set of 2.93 fb - 1 of e + e - collisions at the ψ ( 3770 ) peak accumulated by the BESIII detector. Intermediate states and nonresonant components, and their relative fractions and phases, have been determined. The significant amplitudes, which contribute to the model that best fits the data, are composed of five quasitwo-body decays K S 0 a 1 ( 1260 ) + , K ¯ 1 ( 1270 ) 0 π + K ¯ 1 ( 1400 ) 0 π + , K ¯ 1 ( 1650 ) 0 π + , and K ¯ ( 1460 ) 0 π + , a three-body decay K S 0 π + ρ 0 , as well as a nonresonant component K S 0 π + π + π - . The dominant amplitude is K S 0 a 1 ( 1260 ) + , with a fit fraction of ( 40.3 ± 2.1 ± 2.9 ) % , where the first and second uncertainties are statistical and systematic, respectively.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Improving SOFC Anode Electrocatalytic Activity Using Nanoparticle Infiltration into MIEC Compositions

Mitigating activation polarization in the anode is one of the major challenges in intermediate-temperature operation of solid oxide fuel cells (SOFCs). Liquid phase infiltration of nanoscale electrocatalysts has been shown to result in significant reductions in activation polarization in SOFC anodes. In this study, we explore liquid-phase infiltration of nickel, gadolinium doped ceria (GDC), and Ni/GDC electrocatalysts into two different types of cermet anodes: one with a conventional Ni-YSZ composition, and the other with a Ni-MIEC cermet anode where the YSZ has been doped with 3 mol% TiO 2 to impart electronic conductivity. The principal goal of this study is to explore the role of electronic transport in the MIEC phase in effective utilization of the infiltrated nanoscale electrocatalysts. The role of temperature, infiltration cycles and the type of electrocatalysts have been experimentally studied in symmetric cells using electrochemical impedance spectroscopy (EIS). Distribution of relaxation times (DRT) modeling has been used to elucidate the contributions of various charge transfer processes.

25 ENERGY STORAGE↗
DOE OSTI2025

Processability and Material Behavior of NiTi Shape Memory Alloys Using Wire Laser-Directed Energy Deposition (WL-DED)

Utilizing additive manufacturing (AM) techniques with shape memory alloys (SMAs) like NiTi shows great promise for fabricating highly flexible and functionally superior 3D metallic structures. Compared to methods relying on powder feedstocks, wire-based additive manufacturing processes provide a viable alternative, addressing challenges such as chemical composition instability, material availability, higher feedstock costs, and limitations on part size while simplifying process development. This study presented a novel approach by thoroughly assessing the printability of Ni-rich Ni55.94Ti (Wt. %) SMA using the wire laser-directed energy deposition (WL-DED) technique, addressing the existing knowledge gap regarding the laser wire-feed metal additive manufacturing of NiTi alloys. For the first time, the impact of processing parameters—specifically laser power (400–1000 W) and transverse speed (300–900 mm/min)—on single-track fabrication using NiTi wires in the WL-DED process was examined. An optimal range of process parameters was determined to achieve high-quality prints with minimal defects, such as wire dripping, stubbing, and overfilling. Building upon these findings, we printed five distinct cubes, demonstrating the feasibility of producing nearly porosity-free specimens. Notably, this study investigated the effect of energy density on the printed part density, impurity pick-up, transformation temperature, and hardness of the manufactured NiTi cubes. The results from the cube study demonstrated that varying energy densities (46.66–70 J/mm3) significantly affected the quality of the deposits. Lower to intermediate energy densities achieved high relative densities (>99%) and favorable phase transformation temperatures. In contrast, higher energy densities led to instability in melt pool shape, increased porosity, and discrepancies in phase transformation temperatures. These findings highlighted the critical role of precise parameter control in achieving functional NiTi parts and offer valuable insights for advancing AM techniques in fabricating larger high-quality NiTi components. Additionally, our research highlighted important considerations for civil engineering applications, particularly in the development of seismic dampers for energy dissipation in structures, offering a promising solution for enhancing structural performance and energy management in critical infrastructure.

Dabbaghi, Hediyeh↗
DOE OSTI2017

Giant Metrewave Radio Telescope Monitoring of the Black Hole X-Ray Binary, V404 Cygni during Its 2015 June Outburst

We report results from a Giant Metrewave Radio Telescope (GMRT) monitoring campaign of the black hole X-ray binary V404 Cygni during its 2015 June outburst. The GMRT observations were carried out at observing frequencies of 1280, 610, 325, and 235 MHz, and extended from June 26.89 UT (a day after the strongest radio/X-ray outburst) to July 12.93 UT. We find the low-frequency radio emission of V404 Cygni to be extremely bright and fast-decaying in the outburst phase, with an inverted spectrum below 1.5 GHz and an intermediate X-ray state. The radio emission settles to a weak, quiescent state ≈11 days after the outburst, with a flat radio spectrum and a soft X-ray state. Combining the GMRT measurements with flux density estimates from the literature, we identify a spectral turnover in the radio spectrum at ≈1.5 GHz on ≈ June 26.9 UT, indicating the presence of a synchrotron self-absorbed emitting region. We use the measured flux density at the turnover frequency with the assumption of equipartition of energy between the particles and the magnetic field to infer the jet radius (≈4.0 × 10{sup 13} cm), magnetic field (≈0.5 G), minimum total energy (≈7 × 10{sup 39} erg), and transient jet power (≈8 × 10{sup 34} erg s{sup −1}). The relatively low value of the jet power, despite V404 Cygni’s high black hole spin parameter, suggests that the radio jet power does not correlate with the spin parameter.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

EVIDENCE OF AGB POLLUTION IN GALACTIC GLOBULAR CLUSTERS FROM THE Mg–Al ANTICORRELATIONS OBSERVED BY THE APOGEE SURVEY

We study the formation of multiple populations in globular clusters (GCs), under the hypothesis that stars in the second generation formed from the winds of intermediate-mass stars, ejected during the asymptotic giant branch (AGB) phase, possibly diluted with pristine gas, sharing the same chemical composition of first-generation stars. To this aim, we use the recent Apache Point Observatory Galactic Evolution Experiment (APOGEE) data, which provide the surface chemistry of a large sample of giant stars, belonging to clusters that span a wide metallicity range. The APOGEE data set is particularly suitable to discriminate among the various pollution scenarios proposed so far, as it provides the surface abundances of Mg and Al, the two elements involved in a nuclear channel extremely sensitive to the temperature, hence to the metallicity of the polluters. The present analysis shows a remarkable agreement between the observations and the theoretical yields from massive AGB stars. In particular, the observed extension of the depletion of Mg and O and the increase in Al is well reproduced by the models and the trend with the metallicity is also fully accounted for. This study further supports the idea that AGB stars were the key players in the pollution of the intra-cluster medium, from which additional generations of stars formed in GCs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

The synaptonemal complex has liquid crystalline properties and spatially regulates meiotic recombination factors

The synaptonemal complex (SC) is a polymer that spans ~100 nm between paired homologous chromosomes during meiosis. Its striated, periodic appearance in electron micrographs led to the idea that transverse filaments within this structure ‘crosslink’ the axes of homologous chromosomes, stabilizing their pairing. SC proteins can also form polycomplexes, three-dimensional lattices that recapitulate the periodic structure of SCs but do not associate with chromosomes. Here we provide evidence that SCs and polycomplexes contain mobile subunits and that their assembly is promoted by weak hydrophobic interactions, indicative of a liquid crystalline phase. We further show that in the absence of recombination intermediates, polycomplexes recapitulate the dynamic localization of pro-crossover factors during meiotic progression, revealing how the SC might act as a conduit to regulate chromosome-wide crossover distribution. Properties unique to liquid crystals likely enable long-range signal transduction along meiotic chromosomes and underlie the rapid evolution of SC proteins.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1987

Latitudinal motions of the aurora during substorms

Sequences of auroral images obtained with Dynamics Explorer 1 are used to investigate latitudinal motions of the aurora in substorms. Average speeds of poleward motion are about 230 m/s near local midnight for two isolated, small substorms and about 1000 m/s during an intensification within a previously active auroral oval. The speed of poleward expansion measured at about 6-min temporal resolution can differ greatly from the average speed because of the episodic development of substorms. Recovery of the high-latitude boundary of the aurora to presubstorm latitudes is first observed in the postmidnight sector. In the premidnight sector the discrete aurora can become stationary for a period of time or even continue further poleward before a retreat to lower latitudes begins. During the recovery phase, a prominent decrease in luminosities is first observed at intermediate latitudes within the auroral distribution. This region is bounded at higher latitudes by the discrete aurora and at lower latitudes by bright diffuse aurora. Given that magnetic field lines threading these auroral distributions map to the plasma sheet boundary layer and to the central plasma sheet, respectively, magnetic field lines at the intermediate auroral latitudes then map to the plasma sheet at distances of more than about 22 earth radii.

Craven, J. D.↗
NASA NTRS1989

Hybrid Analog/Digital Receiver

Advanced hybrid analog/digital receiver processes intermediate-frequency (IF) signals carrying digital data in form of phase modulation. Uses IF sampling and digital phase-locked loops to track carrier and subcarrier signals and to synchronize data symbols. Consists of three modules: IF assembly, signal-processing assembly, and test-signal assembly. Intended for use in Deep Space Network, but presumably basic design modified for such terrestrial uses as communications or laboratory instrumentation where signals weak and/or noise strong.

Brown, D. H.↗
NASA NTRS1991

Structure of medium Mach number quasi-parallel shocks - Upstream and downstream waves

The transition from steady low-Mach-number to unsteady high-Mach-number quasi-parallel shocks was investigated by performing large-scale 1D hybrid code simulations at increasing Mach numbers. It was found that only at very low Mach number shocks the steepening is limited by upstream phase-standing whistlers, as predicted by the classical theory (Tidman and Northrop, 1968). In the intermediate region of Mach numbers between 1.5 and 3.5, a very diverse behavior is observed. Backstreaming ions generate fast magnetosonic waves which dominate the upstream, with wavelengths longer than phase-standing whistlers. At increasing Mach numbers, the phase and group velocities of the dominant waves are reduced until they point back toward the shock; when there is sufficient energy flux in these waves, they lead to unsteady shock behavior and eventually to shock reformation.

Krauss-Varban, D.↗
NASA NTRS2006

Jet Noise Diagnostics Supporting Statistical Noise Prediction Methods

The primary focus of my presentation is the development of the jet noise prediction code JeNo with most examples coming from the experimental work that drove the theoretical development and validation. JeNo is a statistical jet noise prediction code, based upon the Lilley acoustic analogy. Our approach uses time-average 2-D or 3-D mean and turbulent statistics of the flow as input. The output is source distributions and spectral directivity. NASA has been investing in development of statistical jet noise prediction tools because these seem to fit the middle ground that allows enough flexibility and fidelity for jet noise source diagnostics while having reasonable computational requirements. These tools rely on Reynolds-averaged Navier-Stokes (RANS) computational fluid dynamics (CFD) solutions as input for computing far-field spectral directivity using an acoustic analogy. There are many ways acoustic analogies can be created, each with a series of assumptions and models, many often taken unknowingly. And the resulting prediction can be easily reverse-engineered by altering the models contained within. However, only an approach which is mathematically sound, with assumptions validated and modeled quantities checked against direct measurement will give consistently correct answers. Many quantities are modeled in acoustic analogies precisely because they have been impossible to measure or calculate, making this requirement a difficult task. The NASA team has spent considerable effort identifying all the assumptions and models used to take the Navier-Stokes equations to the point of a statistical calculation via an acoustic analogy very similar to that proposed by Lilley. Assumptions have been identified and experiments have been developed to test these assumptions. In some cases this has resulted in assumptions being changed. Beginning with the CFD used as input to the acoustic analogy, models for turbulence closure used in RANS CFD codes have been explored and compared against measurements of mean and rms velocity statistics over a range of jet speeds and temperatures. Models for flow parameters used in the acoustic analogy, most notably the space-time correlations of velocity, have been compared against direct measurements, and modified to better fit the observed data. These measurements have been extremely challenging for hot, high speed jets, and represent a sizeable investment in instrumentation development. As an intermediate check that the analysis is predicting the physics intended, phased arrays have been employed to measure source distributions for a wide range of jet cases. And finally, careful far-field spectral directivity measurements have been taken for final validation of the prediction code. Examples of each of these experimental efforts will be presented. The main result of these efforts is a noise prediction code, named JeNo, which is in middevelopment. JeNo is able to consistently predict spectral directivity, including aft angle directivity, for subsonic cold jets of most geometries. Current development on JeNo is focused on extending its capability to hot jets, requiring inclusion of a previously neglected second source associated with thermal fluctuations. A secondary result of the intensive experimentation is the archiving of various flow statistics applicable to other acoustic analogies and to development of time-resolved prediction methods. These will be of lasting value as we look ahead at future challenges to the aeroacoustic experimentalist.

Bridges, James E.↗
NASA NTRS2024

Investigating Biases in VLBI Clock Functions and Position Solutions

A systematic bias causing a statistically significant drift between group delay and phase delay measurements in geodetic Very Long Baseline Interferometry (VLBI)has long been present. The cause of this drift remains unknown, although it is readily reproduced in VLBI experiments including a short baseline such as those conducted with the twin 13-meter telescopes at the Wettzell observatory, given the station names WETTZ13N and WETTZELL. This statistical incompatibility has been an obstacle in adopting phase delays in routine VLBI processing. The aim of this study is to provide additional evidence to aid in identifying the source of this systematic bias. A series of four regular VLBI experiments are processed with both group delays and phase delays, and post fit residuals, estimated positions, and clock functions are presented with and without phase calibration applied. These results are also computed for individual intermediate frequency bands.

Geodesy↗