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At least 217 records · Page 12

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NASA NTRS1985

Evaluation of colorless polyimide film for thermal control coating applications

A series of essentially colorless aromatic polyimide films has been synthesized and characterized with the objective of obtaining maximum optical transparency for applications in space. Optical transparency is a requirement for high performance polymeric films used in second surface mirror coatings on thermal control systems. The intensity in color of aromatic polyimide films was lowered by reducing the electronic interaction between chromophoric centers in the polymer molecular structure and by using highly purified monomers. The resulting lightly colored to colorless polyimide films have been characterized by UV-visible and infrared spectroscopy before and after exposure to 300 equivalent solar hours UV irradiation and varying doses of 1 MeV electron irradiation. After irradiation, the films were found to be 2 to 2.5 times more transparent than commercial polyimide film of the same thickness.

St. Clair, A. K.↗

NASA NTRS2007

Chaotic Motion of Relativistic Electrons Driven by Whistler Waves

Canonical equations governing an electron motion in electromagnetic field of the whistler mode waves propagating along the direction of an ambient magnetic field are derived. The physical processes on which the equations of motion are based .are identified. It is shown that relativistic electrons interacting with these fields demonstrate chaotic motion, which is accompanied by the particle stochastic heating and significant pitch angle diffusion. Evolution of distribution functions is described by the Fokker-Planck-Kolmogorov equations. It is shown that the whistler mode waves could provide a viable mechanism for stochastic energization of electrons with energies up to 50 MeV in the Jovian magnetosphere.

Khazanov, G. V.↗

DOE OSTI2024

Prediction of s ± -Wave Superconductivity Enhanced by Electronic Doping in Trilayer Nickelates La 4 Ni 3 O 10 under Pressure

Motivated by the recently reported signatures of superconductivity in trilayer La 4 ⁢Ni 3 ⁢O 10 under pressure, here we comprehensively study this system using ab initio and random-phase approximation techniques. Without electronic interactions, the Ni d 3z 2 –r 2 orbitals show a bonding-antibonding and nonbonding splitting behavior via the O p z orbitals inducing a “trimer” lattice in La 4⁢ Ni 3 ⁢O 10 , analogous to the dimers of La 3 ⁢Ni 2 ⁢O 7 . The Fermi surface consists of three electron sheets with mixed e g orbitals, and a hole and an electron pocket made up of the d 3⁢z 2 –r 2 orbital, suggesting a Ni two-orbital minimum model. In addition, we find that superconducting pairing is induced in the s ± -wave channel due to partial nesting between the M = (π,π) centered pockets and portions of the Fermi surface centered at the Γ = (0,0) point. With changing electronic density n, the s ± instability remains leading and its pairing strength shows a domelike behavior with a maximum around n = 4.2 ( ~6.7% electron doping). The superconducting instability disappears at the same electronic density as that in the new 1313 stacking La 3 ⁢Ni 2 ⁢O 7 , correlated with the vanishing of the hole pocket that arises from the trilayer sublattice, suggesting that the high-T c superconductivity of La 3⁢ Ni 2 ⁢O 7 does not originate from a trilayer and monolayer structure. Furthermore, we confirm the experimentally proposed spin state in La 4 ⁢Ni 3 ⁢O 10 with an in-plane (π, π) order and antiferromagnetic coupling between the top and bottom Ni layers, and spin zero in the middle layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Doped moiré magnets: Renormalized flat bands and excitonic phases

Here, we explore the phase diagram of a twisted bilayer of strongly interacting electrons on a honeycomb lattice close to half filling using the slave-boson mean-field theory. Our analysis indicates that a variety of new phases can be realized as a function of chemical doping and twist angle. In particular, we find a nonmagnetic excitonic insulating phase that breaks the translational symmetry of the underlying moiré pattern. This phase results from the interplay of strong Coulomb interactions and the twist angle. In addition, we show that the features of the renormalized dispersion, such as the magic angles, depend significantly on the interactions. Our results highlight the rich physics arising in doped moiré superlattices of Mott insulators.

flat bands↗

DOE OSTI2025

Charge Density Wave and Ferromagnetism in Intercalated CrSBr

In materials with 1D electronic bands, electron–electron interactions can produce intriguing quantum phenomena, including spin-charge separation and charge density waves (CDW). Most of these systems, however, are non-magnetic, motivating a search for anisotropic materials where the coupling of charge and spin may affect emergent quantum states. Here, in this study, chemical intercalation of the van der Waals magnetic semiconductor CrSBr yields Li 0.17(2) (tetrahydrofuran) 0.26(3) CrSBr, which possesses an electronically driven quasi-1D CDW with an onset temperature above room temperature. Concurrently, electron doping increases the magnetic ordering temperature from 132 to 200 K and switches its interlayer magnetic coupling from antiferromagnetic to ferromagnetic. The spin-polarized nature of the anisotropic bands that give rise to this CDW enforces an intrinsic coupling of charge and spin. The coexistence and interplay of ferromagnetism and charge modulation in this exfoliatable material provide a promising platform for studying tunable quantum phenomena across a range of temperatures and thicknesses.

2D magnets↗

NASA NTRS1986

The electron-cyclotron maser instability as a source of plasma radiation

The generation of continuum bursts from the sun at dm and m wavelengths (in particular, type IV bursts) via the electron-cyclotron-maser instability is examined. The maser instability can be driven by an electron distribution with either a loss-cone anisotropy or a peak at large pitch angles. For omega(p)/Omega(e) much greater than 1, the maser emission is produced by electrons interacting through a harmonic (cyclotron) resonance and is electrostatic, being in the upper hybrid mode at frequencies approximately equal to omega(p). Coalescence processes are required to convert the electrostatic waves into transverse radiation which can escape from the source region. Whether the resultant spectrum is nearly a smooth continuum or has a zebra-stripe pattern (both of which occur in type IV bursts) depends on the form of the electron distribution, inhomogeneities in the density and magnetic field, and whether the maser reaches saturation. For at least the case of some type IV dm bursts with fine structure, comparison with observations seems to indicate that the electrons producing the emission are more likely to have a loss-cone distribution, and that the maser instability is not at saturation.

Winglee, R. M.↗

NASA NTRS1991

Nonlinear wave scattering and electron beam relaxation

The role played by nonlinear scattering during the relaxation of a warm electron beam is investigated through a numerical code based on kinetic equations. The code encompasses the quasi-linear wave-electron interaction and wave-wave scattering off ion clouds. Ions with velocities 2 nu sub i (nu sub i being the ion thermal velocity) are found to be the most efficient for scattering the Langmuir waves off their polarization clouds. The transfer rate of the spectrum out of resonance with the beam is larger by a factor 3 compared to usual estimates. The changes produced in the dispersion relation by the presence of the beam electrons dramatically alter the characteristics of the secondary spectrum. In a late phase the classic condensate K of about 0 is depleted, with the formation of a new condensate in resonance with the flat-topped beam distribution, which follows from the fact that the mere presence of the beam electrons creates a minimum in the frequency-wave-number relation. For strong and slow beams, the predictions of the code are found to be in excellent agreement with the results of the particle simulation if a dispersion relation that includes the beam is used.

Muschietti, L.↗

DOE OSTI2026

Effects of the next-nearest-neighbor hopping on the low-dimensional Hubbard model: ferromagnetism, antiferromagnetism, and superconductivity

The Hubbard model has attracted considerable interest due to its prototypical role in describing strongly interacting electronic systems, such as high-critical-temperature superconductors as well as many novel quantum materials. By introducing next-nearest-neighbor (NNN) hoppings to the Hubbard model, the phase diagram becomes richer, and fascinating phenomena arise in both, one-dimensional chains and square lattices, such as: antiferromagnetism, ferromagnetism, superconductivity (SC), as well as charge orders, among others. Moreover, NNN hoppings play a fundamental role in understanding effects of doping on magnetism and pairing orders in strongly interacting regimes. In this article, we review the recent progress in understanding the different competing phases of this model in one and two dimensions from a computational perspective. In conclusion, we comment on the pressing technical challenges, illustrate the controversial results concerning the emergence of the SC phase, and conclude with our perspectives on future explorations.

Hubbard model↗

NASA NTRS2001

2-D Modeling of Nanoscale MOSFETs: Non-Equilibrium Green's Function Approach

We have developed physical approximations and computer code capable of realistically simulating 2-D nanoscale transistors, using the non-equilibrium Green's function (NEGF) method. This is the most accurate full quantum model yet applied to 2-D device simulation. Open boundary conditions and oxide tunneling are treated on an equal footing. Electrons in the ellipsoids of the conduction band are treated within the anisotropic effective mass approximation. Electron-electron interaction is treated within Hartree approximation by solving NEGF and Poisson equations self-consistently. For the calculations presented here, parallelization is performed by distributing the solution of NEGF equations to various processors, energy wise. We present simulation of the "benchmark" MIT 25nm and 90nm MOSFETs and compare our results to those from the drift-diffusion simulator and the quantum-corrected results available. In the 25nm MOSFET, the channel length is less than ten times the electron wavelength, and the electron scattering time is comparable to its transit time. Our main results are: (1) Simulated drain subthreshold current characteristics are shown, where the potential profiles are calculated self-consistently by the corresponding simulation methods. The current predicted by our quantum simulation has smaller subthreshold slope of the Vg dependence which results in higher threshold voltage. (2) When gate oxide thickness is less than 2 nm, gate oxide leakage is a primary factor which determines off-current of a MOSFET (3) Using our 2-D NEGF simulator, we found several ways to drastically decrease oxide leakage current without compromising drive current. (4) Quantum mechanically calculated electron density is much smaller than the background doping density in the poly silicon gate region near oxide interface. This creates an additional effective gate voltage. Different ways to. include this effect approximately will be discussed.

Svizhenko, Alexei↗

DOE OSTI2025

Symmetry breaking forms split-off flat bands in quantum oxides controlling metal versus insulator phases

The crystal structure used as input to electronic structure calculation of conventionally bonded solids consists primarily of the standard crystallographic degrees of freedom. Quantum solids sometimes have additional microscopic degrees of freedom (m-DOF) nested within the crystallographic structure. These might include local motifs including positional (Peierls dimers, deformed octahedra, Jahn-Teller distortions), magnetic (local moment configurations) and dipolar (local ferroelectric configurations). Such motifs can be observed experimentally via local probes that avoid averaging, and theoretically as distinct total energy lowering features relative to more simplified “average crystallographic structures”. Here we examine the ability of electronic structure methods independent of strong correlation physics to explain the broad phenomenology of metal-insulator selectivity in quantum oxides by energy-lowering symmetry breaking. We do this by avoiding the restriction of considering only (i) electron-electron interactions in a fixed unresponsive lattice—as done in Mott strong correlation explanations—allowing, however, (ii) local positional and magnetic motifs that coexist within a crystallographic landscape. We find in a broad range of quantum oxides with different symmetry breaking modes the formation of split-off flat bands that can also control metallic versus insulating characteristics. The split-off band effect is common to magnetic and non-magnetic materials, including both binary and ternary oxides. One finds that when such local symmetry breaking motifs are considered in mean-field-like (e.g. density functional theory) electronic structure calculations of quantum oxides, they explain many of the observed trends in metal vs insulator phases discussed otherwise in prior literature via strong correlation in symmetry unbroken view.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2019

Regarding Pilot Usage of Display Technologies for Improving Awareness of Aircraft System States

ed systems and the procedures for ng in complexity. This interacting trend places a larger burden on pilots to manage increasing amounts of information and to understand system interactions. The result is an increase in the likelihood of loss of airplane state awareness (ASA). One way to gain more insight into this issue is through experimentation using objective measures of visual behavior. This study summarizes an analysis of oculometer data obtained during a high-fidelity flight simulation study that included a variety of complex pilot-system interactions that occur in current flight decks, as well as several planned for the next generation air transportation system. The study was comprised of various scenarios designed to induce low and high energy aircraft states coupled with other emulated causal factors in recent accidents. Three different display technologies were evaluated in this recent pilot-in-the-loop study conducted at NASA Langley Research Center. These technologies include a stall recovery guidance algorithm and display concept, an enhanced airspeed control indication of when the automation is no longer actively controlling airspeed, and enhanced synoptic diagrams with corresponding simplified electronic interactive checklists. Multiple data analyses were performed to understand how the 26 participating airline pilots were observing ASA-related information provided during different stag specific events within these stages.

Daniels, Taumi S.↗

DOE OSTI2025

Ultrafast exciton and trion dynamics in highly 𝑛-doped Mo⁢S 2 monolayers: Many-body effects

Understanding many-body interactions of excitons and charge carriers in monolayer semiconductors is crucial for tuning their unique optical properties and optimizing their performance in optoelectronic devices. However, the sensitivity of these atomically thin semiconductors to doping, defects, and strain–arising from synthesis, substrate, and environmental conditions–hinders consistent observation of many-body effects. In this work, we employed linear and ultrafast transient optical absorption spectroscopy to investigate the influence of background doping on exciton many-body interactions in Mo⁢S 2 monolayers. Using reversible molecular physisorption gating, we achieved a high background doping density of 4.9 × 10 13 c⁢m −2 in an argon environment, which is significantly higher than those attainable with conventional electrical gating. Our results reveal a photoinduced 𝐴-exciton resonance redshift, attributed to band-gap renormalization at a low background-doping density of 4.3 × 10 12 c⁢m −2 in an air environment, transitioning to a blueshift at a high background-doping density of 4.9 × 10 13 c⁢m −2 due to dominant Pauli blocking effects and vertical excitation shifts. We further observed transient energy splitting between free-exciton and -trion states up to 57 meV due to exciton-electron interactions. The ultrafast spectroscopy further revealed exciton and trion dynamics, including fast energy splitting of exciton and trion resonances within 1 picosecond (ps) followed by a rapid decay having a lifetime of ∼5.4 ps. Furthermore, our results demonstrate the critical role of background-doping conditions in tuning many-body interactions and quasiparticle dynamics in 2D semiconductors, providing valuable insights for future device design and material engineering.

Doped semiconductors↗

NASA NTRS1985

Optically transparent/colorless polyimides

Several series of linear aromatic polyimide films have been synthesized and characterized with the objective of obtaining maximum optical transparency. Two approaches have been used as part of this structure-property relationship study. The first approach is to vary the molecular structure so as to separate chromophoric centers and reduce electronic interactions between polymer chains to lower the intensity of color in the resulting polymer films. A second and concurrent approach is to perform polymerizations with highly purified monomers. Glass transition temperatures of thermally cured polyimide films are obtained by thermomechanical analysis and thermal decomposition temperatures are determined by thermogravimetric analysis. Transmittance UV-visible spectra of the polyimide films are compared to that of a commercial polyimide film. Fully imidized films are tested for solubility in common organic solvents. The more transparent films prepared in this study are evaluated for use on second-surface mirror thermal control coating systems. Lightly colored to colorless films are characterized by UV-visible spectroscopy before and after exposure to 300 equivalent solar hours UV irradiation and varying doses of 1 MeV electron irradiation. The effects of monomer purity, casting solvent and cure atmosphere on polyimide film transparency are also investigated.

Stclair, A. K.↗

DOE OSTI2026

Bias-Modulated ALD of ZnO: Insights into Precursor-Surface Interactions for ZnO Films

Atomic layer deposition (ALD) is widely used to deposit conformal thin films but is often limited in the tunability of the resulting material’s properties. Substrate bias and electric fields alter precursor-surface interactions and provide means to tune material properties. To explore this, we performed zinc oxide (ZnO) ALD using diethylzinc (DEZ) and water on silicon native oxide substrates at 150 °C in a sample holder designed to create a static electrical field by biasing one plate of a parallel plate capacitor-style sample holder during deposition. ZnO films prepared in an electric field/on a biased sample holder were thinner, changed relative crystalline composition, and contained more carbon compared to samples grown in identical sample holders without bias. The thickness was independent of the magnitude of the eletric field between plates, indicating that the primary driver for the change was substrate biasing not the electric field between plates of the parallel plate capacitor-style sample holder. Density functional theory calculations showed enhanced electron migration between dissociatively adsorbed DEZ molecules and the ZnO (002) facet with increasing force from an electric field at the substrate surface, which strengthens the electronic interactions between the surface and the adsorbate. These models offer a compelling explanation for the inhibited growth, changes in the crystallinity, and increase in carbon content of films grown in an electric field/on biased plates.

Jones, Jessica C. (ORCID:0000000174754620)↗

NASA NTRS1976

A study of a sector spectrophotometer and auroral O+(2P-2D) emissions

The metastable O+(2P-2D) auroral emission was investigated. The neighboring OH contaminants and low intensity levels of the emission itself necessitated the evolution of an instrument capable of separating the emission from the contaminants and having a high sensitivity in the wavelength region of interest. A new type of scanning photometer was developed and its properties are discussed. The theoretical aspects of auroral electron interaction with atomic oxygen and the resultant O+(2P-2D) emissions were examined in conjunction with N2(+)1NEG emissions. Ground based measurements of O+(2P-2D) auroral emission intensities were made using the spatial scanning photometer (sector spectrophotometer). Simultaneous measurements of N2(+)1NEG sub 1,0 emission intensity were made in the same field of view using a tilting photometer. Time histories of the ratio of these two emissions made in the magnetic zenith during auroral breakup periods are given. Theories of I sub 7319/I sub 4278 of previous investigators were presented. A rocket measurement of N2(+)1NEG sub 0,0 and O+(2P-2D) emission in aurora was examined in detail and was found to agree with the ground based measurements. Theoretical examination resulted in the deduction of the electron impact efficiency generating O+(2P) and also suggests a large source of O+(2P) at low altitude. A possible source is charge exchange of N+(1S) with OI(3P).

Swenson, G. R.↗

DOE OSTI2026

Design Rules for Open-Shell Molecular Wires: Insights from Correlated Many-Body Transport

Open-shell π-conjugated systems have emerged as promising molecular wires that can sustain unusually high low-bias conductance over tens of nanometers. However, predictive design rules remain limited because near-degeneracy and spin polarization give rise to correlated electronic states that are not reliably captured by standard density functional theory and Landauer transport descriptions. Here, we establish physically transparent design rules for long-range, weakly length-dependent charge transport based on the interplay between bond-length alternation and electron–electron interactions. Using a fully correlated transport framework that combines density matrix renormalization group calculations with nonequilibrium Green’s function embedding, we show that weak dimerization maintains spatially extended edge states, while moderate on-site interaction stabilizes open-shell character without excessively separating transport-relevant resonances. This balance yields zero-bias transmission that is largely insensitive to molecular length, providing a route to connect chemically tunable structure to correlated transport beyond mean-field descriptions.

Charge transport↗

DOE OSTI2024

Hidden magnetism and split off flat bands in the insulator metal transition in VO 2

Transition metal d -electron oxides with an odd number of electrons per unit cell are expected to form metals with partially occupied energy bands, but exhibit in fact a range of behaviors, being either insulators, or metals, or having insulator-metal transitions. Traditional explanations involved predominantly electron-electron interactions in fixed structural symmetry. The present work focuses instead on the role of symmetry breaking local structural motifs. Viewing the previously observed V-V dimerization in VO 2 as a continuous knob, reveals in density functional calculations the splitting of an isolated flat band from the broad conduction band. This leads past a critical percent dimerization to the formation of the insulating phase while lowering the total energy. In VO 2 this transition is found to have a rather low energy barrier approaching the thermal energy at room temperature, suggesting energy-efficient switching in neuromorphic computing. Interestingly, sufficient V-V dimerization suppresses magnetism, leading to the nonmagnetic insulating state, whereas magnetism appears when dimerization is reduced, forming a metallic state. This study opens the way to design novel functional quantum materials with symmetry breaking-induced flat bands.

Chemistry↗

NASA NTRS2011

Standards and Specifications for Ground Processing of Space Vehicles: From an Aviation-Based Shuttle Project to Global Application

Proprietary or unique designs and operations are expected early in any industry's development, and often provide a competitive early market advantage. However, there comes a time when a product or industry requires standardization for the whole industry to advance...or survive. For the space industry, that time has come. Here, we will focus on standardization of ground processing for space vehicles and their ground systems. With the retirement of the Space Shuttle, and emergence of a new global space race, affordability and sustainability are more important now than ever. The growing commercialization of the space industry and current global economic environment are driving greater need for efficiencies to save time and money. More RLV's (Reusable Launch Vehicles) are being developed for the gains of reusability not achievable with traditional ELV's (Expendable Launch Vehicles). More crew/passenger vehicles are also being developed. All of this calls for more attention needed for ground processing-repeatedly before launch and after landing/recovery. RLV's should provide more efficiencies than ELV's, as long as MRO (Maintenance, Repair, and Overhaul) is well-planned-even for the unplanned problems. NASA's Space Shuttle is a primary example of an RLV which was supposed to thrive on reusability savings with efficient ground operations, but lessons learned show that costs were (and still are) much greater than expected. International standards and specifications can provide the commonality needed to simplify design and manufacturing as well as to improve safety, quality, maintenance, and operability. There are standards organizations engaged in the space industry, but ground processing is one of the areas least addressed. Challenges are encountered due to various factors often not considered during development. Multiple vehicle elements, sites, customers, and contractors pose various functional and integration difficulties. Resulting technical publication structures and methods are incongruent. Some processing products are still done on paper, some electronic, and many being converted in between. Business systems then are not fully compatible, and paper as well as electronic conversions are time-consuming and costly. NASA and its Shuttle contractors setup rules and systems to handle what has produced over 130 RLV launches, but they have had many challenges. Attempts have been made to apply aviation industry specifications to make the Shuttle more efficient with its ground processing. One efficiency project example was to make a Shuttle Maintenance Manual (SMM) based on the commercial ATA (Air Transport Association of America) Spec 100 for technical publications. This industry standard, along with others, has been a foundation for efficient global MRO of commercial airlines for years. A modified version was also made for some military aircraft. The SMM project found many similarities in Spec 100 which apply to the Shuttle, and room for expansion for space systems/structures not in aircraft. The SMM project team met with the ATA and representatives from NASA's X-33 and X-34 programs to discuss collaboration on a national space standard based on Spec 100. A pilot project was enabled for a subset of Shuttle systems. Full implementation was not yet achieved, X-33 and X-34 were cancelled, and the Shuttles were then designated for retirement. Nonetheless, we can learn from this project how to expand this concept to all space vehicle products. Since then, ATA has joined with ASD (AeroSpace and Defence Industries Association of Europe) and AIA (Aerospace Industries Association) to form a much-enhanced and expanded international specification: Sl000D, International Specification for Technical Publications. It includes air, land, and sea vehicles, missiles, support equipment, ordnance, and communications. It is used by a growing number of countries for commercial and government products. Its modular design is supported by a Common Source Dabase (CSDB), and COTS (commercial off-the-shelf) software is available for production of IETP's (Interactive Electronic Technical Publications). A few space industry products in Europe have begun to apply Sl000D already. Also, there are other related standards/specifications which have global implications. We have an opportunity to adapt Sl000D and possibly other standards for use with space vehicles and ground systems. Sl000D has plenty of flexibility to apply to any product needed. To successfully grow the viability of the space industry, all members, commercial and government, will need to engage cooperatively in developing and applying standards to move toward interoperability. If we leverage and combine the best existing space standards and specifications, develop new ones to address known gaps, and adapt the best applicable features from other industries, we can establish an infrastructure to not only accelerate current development, but also build longevity for a more cohesive international space community.

Ingalls, John↗