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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Low-Frequency Oscillations and Transport Processes Induced by Multiscale Transverse Structures in the Polar Wind Outflow: A Three-Dimensional Simulation

Multiscale transverse structures in the magnetic-field-aligned flows have been frequently observed in the auroral region by FAST and Freja satellites. A number of multiscale processes, such as broadband low-frequency oscillations and various cross-field transport effects are well correlated with these structures. To study these effects, we have used our three-dimensional multifluid model with multiscale transverse inhomogeneities in the initial velocity profile. Self-consistent-frequency mode driven by local transverse gradients in the generation of the low field-aligned ion flow and associated transport processes were simulated. Effects of particle interaction with the self-consistent time-dependent three-dimensional wave potential have been modeled using a distribution of test particles. For typical polar wind conditions it has been found that even large-scale (approximately 50 - 100 km) transverse inhomogeneities in the flow can generate low-frequency oscillations that lead to significant flow modifications, cross-field particle diffusion, and other transport effects. It has also been shown that even small-amplitude (approximately 10 - 20%) short-scale (approximately 10 km) modulations of the original large-scale flow profile significantly increases low-frequency mode generation and associated cross-field transport, not only at the local spatial scales imposed by the modulations but also on global scales. Note that this wave-induced cross-field transport is not included in any of the global numerical models of the ionosphere, ionosphere-thermosphere, or ionosphere-polar wind. The simulation results indicate that the wave-induced cross-field transport not only affects the ion outflow rates but also leads to a significant broadening of particle phase-space distribution and transverse particle diffusion.

Ganguli, Supriya B.↗
NASA NTRS1989

Relaxation of magnetotail plasmas with field-aligned currents

Equilibria of low free energy have been constructed for magnetotail plasmas (Bhattacharjee, 1987). This model is extended to obtain axisymmetric states which have the structure of flux ropes containing field-aligned currents. An interesting feature of these equilibria is a chain of magnetic islands along the tail axis. Theoretical results are compared with observations from ISEE 1 and ISEE 2 on flux ropes (Elphic et al., 1986).

Paranicas, C.↗
NASA NTRS2016

Development and Implementation of a Generic Analysis Template for Structural-Thermal-Optical-Performance Modeling

Performance-related effects of system level temperature changes can be a key consideration in the design of many types of optical instruments. This is especially true for space-based imagers, which may require complex thermal control systems to maintain alignment of the optical components. Structural-Thermal-Optical-Performance (STOP) analysis is a multi-disciplinary process that can be used to assess the performance of these optical systems when subjected to the expected design environment. This type of analysis can be very time consuming, which makes it difficult to use as a trade study tool early in the project life cycle. In many cases, only one or two iterations can be performed over the course of a project. This limits the design space to best practices since it may be too difficult, or take too long, to test new concepts analytically. In order to overcome this challenge, automation, and a standard procedure for performing these studies is essential. A methodology was developed within the framework of the Comet software tool that captures the basic inputs, outputs, and processes used in most STOP analyses. This resulted in a generic, reusable analysis template that can be used for design trades for a variety of optical systems. The template captures much of the upfront setup such as meshing, boundary conditions, data transfer, naming conventions, and post-processing, and therefore saves time for each subsequent project. A description of the methodology and the analysis template is presented, and results are described for a simple telescope optical system.

Scola, Salvatore↗
DOE OSTI2026

Observing neutron alignment at high angular momenta in heavy deformed actinides

An outstanding puzzle in the structure of very heavy nuclei lies in the rotation response of deformed transuranic isotopes. While the rotation alignment of pairs of 𝑖 13/2 protons is ubiquitous and well understood, observing the analogous alignment of the 𝑗 15/2 neutrons has been elusive. In this work we present a new quantitative analysis approach: from their moments of inertia as a function of frequency, we compare the alignments of rotational bands with both “low” and high-𝑗 intrinsic structures in the 𝑁 = 151 isotones of Pu, Cm, Cf, and No, thereby distinguishing between the alignments of neutron versus proton pairs through “blocking” effects. In this way, the alignment of 𝑗 15/2 neutrons can be clearly identified for the first time. The protons and neutrons begin aligning at a very similar frequency. The contribution of 𝑗 15/2 neutrons to the total alignment is found to grow with increasing 𝑍 compared to 𝑖 13/2 protons. To explain these observations, it is necessary to adopt a self-consistent set of single-particle energies corresponding to the nuclear shape that minimizes the mass. The shape description needs to include high-order deformations up to at least 𝛽 6 .

A ≥ 220↗
DOE OSTI2024

Dangling bonds, the charge neutrality level, and band alignment in semiconductors

We present a systematic study of the electronic properties of dangling bonds (DBs) in a variety of semiconductors and examine the relationship between DBs and the charge neutrality level (CNL) in the context of band alignments of semiconductors. We use first-principles calculations based on density functional theory to assess the energetics of DBs in a set of diamond-structure group-IV and III–V or II–VI zinc-blende-structure semiconductors, considering both cation and anion-derived states. We examine the charge-state transition levels of DBs to assess whether they can serve as a CNL to align band structures, by comparing with offsets calculated from interface calculations. Our results show that this approach for evaluating the CNL yields quantitative results for band offsets and provides useful insights. We discuss the relation with alternative approaches for determination of CNLs based on branch-point energies or transition levels of interstitial hydrogen.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Structural, electronic, and optical-absorption properties of 2D Si thin films

Recent experimental studies highlighted the potential of thin-film crystalline silicon (Si) for high-efficiency solar cells. Using density functional theory, we investigated 2D Si thin films across various orientations, thicknesses, and surface structures to elucidate their structure–property relationships. Through surface-energy calculations and Wulff construction, we determined the crystal habit of Si, which aligns with available experimental observations. Electronic-structure calculations underscored the critical role of valence saturation on surfaces in enabling semiconducting behavior in Si thin films, essential for optical applications. From optical-absorption calculations, we identified the surface index exhibiting the highest absorption coefficients for thin films Si solar cell applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Asymmetric Character of the Ferroelectric Phase Transition and Charged Domain Walls in a Hybrid Improper Ferroelectric

Abstract In improper ferroelectrics, the spontaneous ordering is typically driven by a structural distortion or a magnetic spin alignment. The induced electric polarization is only a secondary effect. This dependence is a rich source for unusual phenomena and ferroelectric domain configurations for proper, polarization‐driven ferroelectrics. This study focuses on the polar domain structure and the hysteretic behavior at the ferroelectric phase transition in Ca 3 Mn 1.9 Ti 0.1 O 7 as a representative of the recently discovered hybrid improper ferroelectric class of multiferroics. Combining optical second harmonic generation and Raman spectroscopy gives access to the spontaneous structural distortion and the resulting improper electric polarization. This study shows that hybrid improper ferroelectrics contrast proper and improper ferroelectrics in several ways. Most intriguingly, adjacent ferroelectric domains favor head‐to‐head and tail‐to‐tail domain walls over charge‐neutral configurations. Furthermore, the phase transition occurs in an asymmetric fashion. The regime of phase coexistence of the nonpolar and polar phases shows a clear and abrupt upper temperature limit. In contrast, the coexistence toward low temperatures is best described as a fade‐out process, where 100‐nm‐sized islands of the nonpolar phase expand deep into the polar phase.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Improving resolution and resolvability of single-particle cryoEM structures using Gaussian mixture models

Cryogenic electron microscopy is widely used in structural biology, but its resolution is often limited by the dynamics of the macromolecule. Here, we developed a refinement protocol based on Gaussian mixture models that integrates particle orientation and conformation estimation, and improves the alignment for flexible domains of protein structures. We demonstrated this protocol on multiple datasets, resulting in improved resolution and resolvability, locally and globally, by visual and quantitative measures.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1986

A simple kinetic theory of auroral arc scales

A kinetic theory of the origins of the auroral arc scale spectrum is presented in this paper. The conceptual basis of the theory is current conservation in a turbulent plasma at the magnetospheric equatorial region in which a field-aligned current is generated and the local electrostatic potential structure is forced to adjust to the presence of the field-aligned current. This simple model uses an ad hoc Ohm's law relationship between the perpendicular current and the perpendicular electric field, but with a negative conductance in the generator region so that J(perpendicular) x E(perpendicular) is less than 0. An exact solution of a simple model of the concept yields a bistatic auroral generator for which multiple-arc formation is predicted if the field-aligned current exceeds a critical value. The predicted scale spectrum is inversely proportional to the square root of the field-aligned current strength spectrum.

Chiu, Y. T.↗
DOE OSTI2021

Photocurrent in carbon nanotube bundle: Graded Seebeck coefficient phenomenon

Here, polarized photovoltage of a suspended aligned carbon nanotube (CNT) bundle under uniform optical irradiation is discovered without additional structural modification or bias voltage. Such a phenomenon is very surprising considering the metallic behavior of the overall bundle and zero temperature difference between ends. The photovoltage characteristic time is found similar to the thermal response time under step Joule heating and implies a relation to the thermal behavior of the CNT bundle. A similar thermoelectric voltage is also observed during step Joule heating. Localized laser heating and scanning along the axial direction of the bundle uncovers a linear spatial variation of the local Seebeck coefficient. The Seebeck coefficient linearly decreases from root to tip of the CNT bundle with a rate of a few - µV∙K –1 ·mm –1 . Deep investigation in both the microscopic and macroscopic structures of the CNT bundle reveals that the local alignment of CNT assemblies rather than the minor defects in individual CNTs brings about this linear distribution of Seebeck coefficient in space. The finding presents a new way for direct photon-to-electric energy conversion via Seebeck coefficient grading in CNT structures.

42 ENGINEERING↗
DOE OSTI2021

Magnetic and electronic structures of antiferromagnetic topological material candidate EuMg 2 Bi 2

In this work, EuMg 2 Bi 2 has been investigated to understand the electronic and magnetic behaviors as an antiferromagnetic (AFM) topological semimetal candidate. High-quality single crystals of EuMg 2 Bi 2 were grown via a Bi flux and, subsequently, characterized to be consistent with the previously reported bulk magnetic and resistivity properties. A ferromagnetic interaction is indicated by the positive Curie–Weiss temperature obtained through fitting the bulk magnetic susceptibility data. The bulk resistivity measurements reveal an interesting electronic behavior that is potentially influenced by a competing antiferromagnetic and ferromagnetic interaction in and out of the ab plane. From the resulting refinement of the neutron diffraction data, EuMg 2 Bi 2 was found to exhibit an A-type magnetic structure with Eu 2+ moments ferromagnetically aligned in the plane and antiferromagnetically stacked between neighbor ferromagnetic Eu layers. The power law fitting magnetic ordering parameter below TN~8 K agrees with the 2D Heisenberg model, indicating a weak interlayer antiferromagnetic interaction. Considering the magnetic structure determined by neutron diffraction, the surface state calculation suggests that EuMg 2 Bi 2 is an AFM topological insulator candidate. Linearly dispersed Dirac surface states were also observed in our angle-resolved photoemission spectroscopy measurements, consistent with the calculation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Experimental observations of multiple modes of filamentary structures in the magnetized dusty plasma experiment (MDPX) device

Due to the small charge-to-mass ratio of dust particles, it is often necessary to use large magnetic fields of B ≥ 1 T, in order to observe the influence of magnetic forces in laboratory dusty plasmas. However, when experiments are performed at high magnetic fields in capacitively coupled, radio frequency discharges used for these dusty plasma experiments, the plasma is often observed to form filamentary structures between the electrodes that are aligned to the external magnetic field which disrupt the uniformity of the plasma and adversely impact some of our dusty plasma experiments. Recent experiments performed in the Magnetized Dusty Plasma Experiment device seek to identify and characterize these filamentary structures. This paper discusses the morphology of several distinct filamentary modes that are formed in low temperature argon plasmas. Three different spatial modes of filaments that appear to be strongly dependent on the magnetic field and neutral pressure are identified. There is strong evidence that each spatial mode has a threshold condition that is dependent on the ion Hall parameter. The criteria for the formation of the filaments are shown to be consistent with predictions of recent numerical simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2010

Space Technology 5 (ST-5) Multipoint Observations of Temporal and Spatial Variability of Field-Aligned Currents

Space Technology 5 (ST-5) is a three micro-satellite constellation deployed into a 300 x 4500 km, dawn-dusk, sun-synchronous polar orbit from March 22 to June 21, 2006, for technology validations. In this paper, we present a study of the temporal variability of field-aligned currents using multi-point magnetic field measurements from ST5. The data demonstrate that mesoscale current structures are commonly embedded within large-scale field-aligned current sheets. The meso-scale current structures are very dynamic with highly variable current density and/or polarity in time scales of about 10 min. They exhibit large temporal variations during both quiet and disturbed times in such time scales. On the other hand, the data also shown that the time scales for the currents to be relatively stable are about 1 min for meso-scale currents and about 10 min for large scale current sheets. These temporal features are obviously associated with dynamic variations of their particle carriers (mainly electrons) as they respond to the variations of the parallel electric field in auroral acceleration region. The characteristic time scales for the temporal variability of meso-scale field-aligned currents are found to be consistent with those of auroral parallel electric field.

Le, Guan↗
NASA NTRS2010

Space Technology 5 (ST-5) Observations of Field-Aligned Currents: Temporal Variability

Space Technology 5 (ST-5) is a three micro-satellite constellation deployed into a 300 x 4500 km, dawn-dusk, sun-synchronous polar orbit from March 22 to June 21, 2006, for technology validations. In this paper, we present a study of the temporal variability of field-aligned currents using multi-point magnetic field measurements from STS. The data demonstrate that masoscale current structures are commonly embedded within large-scale field-aligned current sheets. The meso-scale current structures are very dynamic with highly variable current density and/or polarity in time scales of about 10 min. They exhibit large temporal variations during both quiet and disturbed times in such time scales. On the other hand, the data also shown that the time scales for the currents to be relatively stable are about I min for meso-scale currents and about 10 min for large scale current sheets. These temporal features are obviously associated with dynamic variations of their particle carriers (mainly electrons) as they respond to the variations of the parallel electric field in auroral acceleration region. The characteristic time scales for the temporal variability of meso-scale field-aligned currents are found to be consistent with those of auroral parallel electric field.

Le, Guan↗
NASA NTRS1994

Ionization cones and radio ejecta in active galaxies

We report radio mapping at three frequencies of the Seyfert 2 galaxy NGC 5252, which is known to exhibit a spectacular pair of 'ionization cones' in optical emission-line images. The radio structure of the galaxy comprises an unresolved (less than 50 pc) source coincident with the optical nucleus, weak, narrow features extending approximately equal to 900 pc to north and south from the nucleus, and an unresolved radio source some 10 kpc from the nucleus. The inner parts of the extended radio structure and the off-nuclear source align well with the axis of the ionization cones. There are currently 11 Seyfert galaxies known to possess an ionization cone or a bi-cone; 8 of these galaxies also contain a linear (double, triple, or jet-like) nuclear radio structure. For this limited, incomplete sample, there is a tight alignment between cone and radi axes: the formal mean difference between the measured projections of these axes on the sky is only 6 deg, and the alignment may well be better than this at the location(s) closer to the nucleus where the collimation occurs. Although the degree of collimation is much worse for the ionizing photons than for the radio plasma, it is clear that they are collimated by the same, or coplanar, nulcear disks or tori. In particular, if the ionization cones result from absorption by dusty tori on the pc scale and the radio ejecta from accretion disks around the central black hole, the absence of differential precession indicates that either the gravitating mass distribution is close to spherical or the dusty torus has settled into a preferred plane. The cones currently known in late-type (but not early-type) spirals show a trend to align with the axis of the galaxy stellar disk. We argue that this alignment is either an observational selection effect or indicates that the gas accreted to power the nuclear activity has an internal origin in late-type spirals, but may have an external origin (e.g., a galaxy merger) in early-types. .

Wilson, A. S.↗
DOE OSTI2021

In Situ Wood Delignification toward Sustainable Applications

As one of the most abundant and versatile natural materials on Earth, recently wood has attracted tremendous attention from scientists and engineers due to its outstanding advantages, including hierarchically porous microstructure, high mechanical strength, environmental friendliness, renewability, and biodegradability. Wood’s hierarchically porous structure and chemical components (e.g., cellulose, hemicelluloses, and lignin) enable its mechanical, ionic, optical, and thermal properties to be tuned via physical, chemical, and/or thermal modifications. Among these various approaches, the chemical delignification of bulk wood is the most fascinating, in which the majority of lignin and hemicelluloses is removed while leaving the cellulose intact, maintaining wood’s physical integrity and hierarchical structure. This delignified structure is unique, composed of hollow, aligned channels made up of cellulose microfibrils, and particularly attractive given its origin from a sustainable and renewable resource. As a result, delignified wood has attracted increasing attention for applications that go far beyond traditional wood utilization, such as lightweight yet strong structural materials, energy storage and conversion, environmental remediation, flexible electronics, and bioengineering. Here, we review recent developments in bulk wood delignification strategies toward the achievement of such advanced wood technologies for sustainable applications, with a focus on the research in our group. Similar to chemical pulping and bleaching, wood delignification involves a series of nucleophilic reactions based on alkaline Na 2 SO 3 or Na 2 S systems (i.e., chemical pulping) or electrophilic, radical, and oxidation reactions based on H 2 O 2 , ClO 2 , or NaClO systems (i.e., chemical bleaching) to deconstruct, fragment, and promote the hydrophilicity of lignin macromolecules, which finally make lignin easier to be removed. We discuss the structure and properties of partially and near-completely delignified wood, with a focus on process-structure–property relationships. The resulting delignified wood materials, with tunable structure and properties, demonstrate various advanced functions, in a wide range of advanced applications, such as building and construction, green energy, and electronics. Finally, the potential challenges and appealing perspectives of in situ wood delignification are discussed. In situ wood delignification, as a powerful modification strategy, has speeded up the development of advanced wood technologies and wood-based functional materials and products.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Computing diffraction patterns of microstructures from phase-field simulations

The diffraction pattern of a material contains information not only on the crystal structures of its constituting phases, but also on its mesoscale spatial distributions of phases, grains, and ferroelastic, ferroelectric, and ferromagnetic domains. While diffraction patterns from experiments such as X-ray diffraction are presented in the reciprocal or Fourier space, mesoscale microstructure models such as the phase-field method naturally produce real-space images of spatial distribution of chemical composition, structural, and ferroic domains. Although one could rather readily compute the Fourier amplitudes of chemical and structural domain distributions generated by mesoscale simulations, they only contain information about the length scale and alignment of the real-space chemical and structure domains. Therefore, a direct comparison between diffraction experiments and mesoscale microstructure simulations is not possible. Here, we develop a theoretical approach to directly compute the crystal diffraction patterns of microstructures predicted by phase-field simulations. In particular, we consider five representative examples of microstructure patterns involving purely compositional domains, a single pair of tetragonal twin structures, multiple twin variants in a hexagonal system, ferroelectric polar vortices, and polycrystalline grains. The results are compared with previous experimental observations as well as X-ray diffraction experiments performed in the present study. Furthermore, the theoretical framework allows one to directly connect material microstructures and diffraction patterns predicted from phase-field simulations and the corresponding diffraction patterns from experiments, and thus providing guidance to experimental diffraction characterization and interpretation of microstructures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Fabrication of THz corrugated wakefield structure and its high power test

We present overall process for developing terahertz (THz) corrugated structure and its beam-based measurement results. 0.2-THz corrugated structures were fabricated by die stamping method as the first step demonstration towards GW THz radiation source and GV/m THz wakefield accelerator. 150-μm thick disks were produced from an OFHC (C10100) foil by stamping. Two types of disks were stacked alternately to form 46 mm structure with ~ 170 corrugations. Custom assembly was designed to provide diffusion bonding with a high precision alignment of disks. The compliance of the fabricated structure have been verified through beam-based wakefield measurement at Argonne Wakefield Accelerator Facility. Both measured longitudinal and transverse wakefield showed good agreement with simulated wakefields. Measured peak gradients, 9.4 MV/m/nC for a long single bunch and 35.4 MV/m/nC for a four bunch trains, showed good agreement with the simulation.

43 PARTICLE ACCELERATORS↗