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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Proton and electron RLA optics design

We describe optics designs of the key components of proton and electron Recirculating Linear Accelerators (RLAs). They are presented in the context of a high-power hadron accelerator being considered at ORNL and a CEBAF electron energy doubling study, FFA@CEBAF, being developed at Jefferson Lab. Both concepts rely on the Fixed-Field Alternating gradient (FFA) arc optics designs where multiple beam passes are transported by a single beam line. Some of the main challenges of the optics design are in synchronization and orbital and linear optics match of the individual passes with the linac straight. To minimize the complexity of the matching sections and make them more practical, it is preferable to complete as much of the orbital and optical match as possible within a single beam line using the FFA approach. The adiabatic matching technique proposed earlier is one such solution, but it requires a large number of cells. We present a much shorter matching section design based on another approach. A compact dog-leg-type section of several bending dipoles and quadrupoles is used to suppress the orbital offset and dispersion coming out of a periodic cell. Additional quadrupoles are used in the section to keep the beta functions under control and simplify their subsequent match to the linac. Initial beam tracking results are presented.

Benesch, J.↗
DOE OSTI2021

Theory of subcycle time-resolved photoemission: Application to terahertz photodressing in graphene

Here, motivated by recent experimental progress we revisit the theory of pump–probe time- and angle-resolved photoemission spectroscopy (trARPES), which is one of the most powerful techniques to trace transient pump-driven modifications of the electronic properties. The pump-induced dynamics can be described in different gauges for the light–matter interaction. Standard minimal coupling leads to the velocity gauge, defined by linear coupling to the vector potential. In the context of tight-binding (TB) models, the Peierls substitution is the commonly employed scheme for single-band models. Multi-orbital extensions – including the coupling of the dipole moments to the electric field – have been introduced and tested recently. In this work, we derive the theory of time-resolved photoemission within both gauges from the perspective of nonequilibrium Green’s functions. This approach naturally incorporates the photoelectron continuum, which allows for a direct calculation of the observable photocurrent. Following this route we introduce gauge-invariant expressions for the time-resolved photoemission signal. The theory is applied to graphene pumped with short terahertz pulses, which we treat within a first-principles TB model. We investigate the gauge invariance and discuss typical effects observed in subcycle time-resolved photoemission. Our formalism is an ideal starting point for realistic trARPES simulations including scattering effects.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1977

Analysis of the passive stabilization of the long duration exposure facility

The nominal Long Duration Exposure Facility (LDEF) configurations and the anticipated orbit parameters are presented. A linear steady state analysis was performed using these parameters. The effects of orbit eccentricity, solar pressure, aerodynamic pressure, magnetic dipole, and the magnetically anchored rate damper were evaluated to determine the configuration sensitivity to variations in these parameters. The worst case conditions for steady state errors were identified, and the performance capability calculated. Garber instability bounds were evaluated for the range of configuration and damping coefficients under consideration. The transient damping capabilities of the damper were examined, and the time constant as a function of damping coefficient and spacecraft moment of inertia determined. The capture capabilities of the damper were calculated, and the results combined with steady state, transient, and Garber instability analyses to select damper design parameters.

Siegel, S. H.↗
DOE OSTI2024

Spin-orbit-splitting-driven nonlinear Hall effect in NbIrTe 4

The Berry curvature dipole (BCD) serves as a one of the fundamental contributors to emergence of the nonlinear Hall effect (NLHE). Despite intense interest due to its potential for new technologies reaching beyond the quantum efficiency limit, the interplay between BCD and NLHE has been barely understood yet in the absence of a systematic study on the electronic band structure. Here, we report NLHE realized in NbIrTe 4 that persists above room temperature coupled with a sign change in the Hall conductivity at 150 K. First-principles calculations combined with angle-resolved photoemission spectroscopy (ARPES) measurements show that BCD tuned by the partial occupancy of spin-orbit split bands via temperature is responsible for the temperature-dependent NLHE. Our findings highlight the correlation between BCD and the electronic band structure, providing a viable route to create and engineer the non-trivial Hall effect by tuning the geometric properties of quasiparticles in transition-metal chalcogen compounds.

36 MATERIALS SCIENCE↗
DOE OSTI2025

NEXAFS Spectroscopy of P3HT and PBTTT at the Sulfur K-Edge

The sulfur K-edge near-edge X-ray absorption fine-structure (NEXAFS) spectra of the common conjugated polymers P3HT and PBTTT are studied from both experimental and theoretical perspectives. Experimental angle-resolved spectra are measured to characterize both the dominant peaks and the dichroism of the polymers. First-principles calculations using the density functional theory-based many-body X-ray absorption spectroscopy (MBXAS) method are performed for the two polymers as well as for the thiophene and thienothiophene units that make up the conjugated backbones of these polymers. Through this combined approach, we are able to confidently assign the observed peaks to specific molecular orbitals and identify the orientation of their transition dipole moments (TDMs) with respect to the coordinate frame of the polymer backbone. Here, in particular, we are able to establish the character and orthogonal nature of the three main low-energy peaks at: (i) 2473.5 eV, 1s → (S–C)­π* with TDM along the π-stacking direction; (ii) 2474.1 eV, 1s → (S–C)­σ* with TDM along the backbone; and (iii) 2475.4 eV, 1s → (S–C)­σ* with TDM perpendicular to the first two. By performing both gas-phase and solid-state simulations, and with reference to the NEXAFS spectra of thiophene and thienothiophene building blocks, the influences of polymerization and molecular packing are also explored.

Chantler, Paul Alexander [Monash University, Clayt↗
DOE OSTI2022

Characterization of dot-specific and tunable effective g factors in a GaAs/AlGaAs double quantum dot single-hole device

Difference in g factors in multidot structures can form the basis of dot-selective spin manipulation under global microwave irradiation. Here employing electric dipole spin resonance facilitated by strong spin-orbit interaction (SOI), we observe differences in the extracted values of the single-hole effective g factors of the constituent quantum dots of a GaAs/AlGaAs double quantum dot device at the level of ~ 5 %–10%. We examine the continuous change in the hole g factor with electrical detuning over a wide range of interdot tunnel couplings and for different out-of-plane magnetic fields. The observed tendency of the quantum dot effective g factors to steadily increase on decreasing the interdot coupling or on increasing the magnetic field is attributed to the impact on the SOI of changing the dot confinement potential and heavy-hole light-hole mixing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Excitons in Bilayer MoS 2 Displaying a Colossal Electric Field Splitting and Tunable Magnetic Response

van der Waals heterostructures composed of transition metal dichalcogenide monolayers (TMDCs) are characterized by their truly rich excitonic properties which are determined by their structural, geometric, and electronic properties: In contrast to pure monolayers, electrons and holes can be hosted in different materials, resulting in highly tunable dipolar many-particle complexes. However, for genuine spatially indirect excitons, the dipolar nature is usually accompanied by a notable quenching of the exciton oscillator strength. Via electric and magnetic field dependent measurements, we demonstrate that a slightly biased pristine bilayer MoS 2 hosts strongly dipolar excitons, which preserve a strong oscillator strength. We scrutinize their giant dipole moment, and shed further light on their orbital and valley physics via bias-dependent magnetic field measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1989

Testing general relativity in space-borne and astronomical laboratories

The current status of space-based experiments and astronomical observations designed to test the theory of general relativity is surveyed. Consideration is given to tests of post-Newtonian gravity, searches for feeble short-range forces and gravitomagnetism, improved measurements of parameterized post-Newtonian parameter values, explorations of post-Newtonian physics, tests of the Einstein equivalence principle, observational tests of post-Newtonian orbital effects, and efforts to detect quadrupole and dipole radiation damping. Recent numerical results are presented in tables.

Will, Clifford M.↗
NASA NTRS2024

The Plasma Proton Environment within Saturn’s F-G Ring Gap as Observed by the Cassini Plasma Spectrometer Ion Mass Spectrometer during Saturn Orbit Insertion

We report on the detection of protons and the potential detection of H 2 + between Saturn's F and G rings based on Cassini Plasma Spectrometer (CAPS) Ion Mass Spectrometer (IMS) time-of-flight (TOF) composition measurements acquired during Saturn Orbit Insertion (SOI) outbound pass. The range in dipole L shell is 2.3 < L < 2.8. Initial results based on TOF data were presented in E. C. Sittler et al., 2017. Here we present the latest results of our analysis. During the SOI outbound pass between the F and G rings the CAPS IMS was in a mode of reduced post-acceleration voltage at -6 kV instead of the usual -14.6 kV. This reduced voltage still allows the analysis of protons since 6 keV protons are minimally scattered by the instrument’s ultrathin carbon foils when compared to heavier ions O + and O 2 + , scattering. Background noise from penetrating radiation and ghost peaks produced by foil-scattered O + ions within the instrument were considered in our analysis. The analysis allowed determination of the proton density, temperature and flow velocity, accounting for spacecraft potential by assuming a convected Maxwellian for the proton velocity distribution function. We find average proton density n P = 3.2 ± 1.1 #/cm 3 , proton temperature T P = 1.74 ± 0.12 eV, proton rotational flow speed V P = 24 ± 1.5 km/s and spacecraft potential  SC = -0.8 ±1.5 V. These results are compared with previous theoretical estimates of H + and H 2 + ions within Saturn’s inner magnetosphere.

E C Sittler↗
DOE OSTI2022

A Many-Body Perturbation Theory Approach to Energy Band Alignment at the Crystalline Tetracene–Silicon Interface

Hybrid inorganic–organic semiconductor (HIOS) interfaces are of interest for new photovoltaic devices operating above the Shockley–Queisser limit. Predicting energy band alignment at the interfaces is crucial for their design, but represents a challenging problem due to the large scales of the system, the energy precision required and a wide range of physical phenomena that occur at the interface. To tackle this problem, many-body perturbation theory in the non-self-consistent GW approximation, orbital relaxation corrections for organic semiconductors, and line-up potential method for inorganic semiconductors which allows for tractable and accurate computing of energy band alignment in crystalline van-der-Waals hybrid inorganic–organic semiconductor interfaces are used. In this work, crystalline tetracene physisorbed on the clean hydrogen-passivated 1 × 2 reconstructed (100) silicon surface is studied. Using this computational approach, it is found that the energy band alignment is determined by an interplay of the mutual dynamic dielectric screening of two materials and the formation of a dipole layer due to a weak hybridization of atomic/molecular orbitals at the interface. The significant role of the exchange-correlation effects in predicting band offsets for the hybrid inorganic–organic semiconductor interfaces is also emphasized.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Third-Order Møller–Plesset Theory Made More Useful? The Role of Density Functional Theory Orbitals

The practical utility of Møller–Plesset (MP) perturbation theory is severely constrained by the use of Hartree–Fock (HF) orbitals. It has recently been shown that the use of regularized orbital-optimized MP2 orbitals and scaling of MP3 energy could lead to a significant reduction in MP3 error. In this work, we examine whether density functional theory (DFT)-optimized orbitals can be similarly employed to improve the performance of MP theory at both the MP2 and MP3 levels. We find that the use of DFT orbitals leads to significantly improved performance for prediction of thermochemistry, barrier heights, noncovalent interactions, and dipole moments relative to the standard HF-based MP theory. Indeed, MP3 (with or without scaling) with DFT orbitals is found to surpass the accuracy of coupled-cluster singles and doubles (CCSD) for several data sets. We also found that the results are not particularly functional sensitive in most cases (although range-separated hybrid functionals with low delocalization error perform the best). As such, MP3 based on DFT orbitals thus appears to be an efficient, noniterative O(N 6 ) scaling wave-function approach for single-reference electronic structure computations. Scaled MP2 with DFT orbitals is also found to be quite accurate in many cases, although modern double hybrid functionals are likely to be considerably more accurate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1984

Radiating dipole model of interference induced in spacecraft circuitry by surface discharges

Spacecraft in geosynchronous orbit can be charged electrically to high voltages by interaction with the space plasma. Differential charging of spacecraft surfaces leads to arc and blowoff discharging. The discharges are thought to upset interior, computer-level circuitry. In addition to capacitive or electrostatic effects, significant inductive and less significant radiative effects of these discharges exist and can be modeled in a dipole approximation. Flight measurements suggest source frequencies of 5 to 50 MHz. Laboratory tests indicate source current strengths of several amperes. Electrical and magnetic fields at distances of many centimeters from such sources can be as large as tens of volts per meter and meter squared, respectively. Estimates of field attenuation by spacecraft walls and structures suggest that interior fields may be appreciable if electromagnetic shielding is much thinner than about 0.025 mm (1 mil). Pickup of such fields by wires and cables interconnecting circuit components could be a source of interference signals of several volts amplitude.

Metz, R. N.↗
NASA NTRS1980

The Pioneer Venus Orbiter plasma wave investigation

The Pioneer Venus plasma wave instrument has a self-contained balanced electric dipole (effective length = 0.75 m) and a 4-channel spectrum analyzer (30% bandwidth filters with center frequencies at 100 Hz, 730 Hz, and 30 kHz). The channels are continuously active and the highest Orbiter telemetry rate (2048 bits/sec) yields 4 spectral scans/sec. The total mass of 0.55 kg includes the electronics, the antenna, and the antenna deployment mechanism. This report contains a brief description of the instrument design and a discussion of the in-flight performance.

Scarf, F. L.↗
DOE OSTI2021

Spin Emitters beyond the Point Dipole Approximation in Nanomagnonic Cavities

Control over transition rates between spin states of emitters is crucial in a wide variety of fields ranging from quantum information science to the nanochemistry of free radicals. We present an approach to drive both electric and magnetic dipole-forbidden transitions of a spin emitter by placing it in a nanomagnonic cavity, requiring a description of both the spin emitter beyond the point dipole approximation and the vacuum magnetic fields of the nanomagnonic cavity with a large spatial gradient over the volume of the spin emitter. We specifically study the silicon vacancy (SiV – ) defect in diamond, whose Zeemansplit ground states comprise a logical qubit for solid-state quantum information processing, coupled to a magnetic nanoparticle serving as a model nanomagnonic cavity capable of concentrating microwave magnetic fields into deeply subwavelength volumes. Through first-principles modeling of the SiV – spin orbitals, we calculate the spin transition densities of magnetic dipole-allowed and -forbidden transitions and calculate their coupling rates to various multipolar modes of the nanomagnonic cavity. We envision using such a framework for manipulation of quantum spin states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Beam and Spin Optics Simulation Tutorials, Using Zgoubi

This tutorial is an introduction to the classical cyclotron, with some hints at spin dynamics, hands-on: by numerical simulation. It begins with a brief reminder of the historic context, and then introduces the theoretical material needed for the simulation exercises, which follow. Basic charge particle optics and acceleration concepts are addressed, including closed orbit in a cyclic accelerator, weak focusing in a dipole magnet, periodic transverse motion, revolution period and isochronism, voltage gap and resonant acceleration, the cyclotron equation.

43 PARTICLE ACCELERATORS↗
NASA NTRS1973

Structure and evolutionary history of the solar system. III.

Analysis of the plasma processes and the hydromagnetic aspects involved in the evolution of the solar system. In order to reduce the speculative element as far as possible, the present analysis tries to connect the cosmogonic processes as directly as possible to laboratory plasma physics and to space phenomena actually observed today. Models of the Laplacian type have been made obsolete by magnetohydrodynamics. Furthermore they are in conflict with observations. A new model is suggested. A plasma surrounding a rotating central body may attain a state of partial corotation which is determined by the balance between gravitation and the centrifugal force acting on a plasma in a dipole field. Condensation from a partially corotating plasma results in grains orbiting in ellipses with e = 1/3 and finally accreting to bodies at 2/3 of the central distance of the point of condensation. An application of the theory of the Saturnian rings and to the asteroidal belt shows that the fall-down ratio 2/3 (derived from the geometry of a dipole field) is essential for the understanding of their structure. The structure of the groups of planets and satellites is also discussed, but only in a preliminary way.

Alfven, H.↗
NASA NTRS1977

Magnetospheric magnetic field of Mercury

This paper presents a model for the magnetospheric magnetic field of Mercury in which the external field is represented by an image dipole and a tail field and the internal field includes a dipole, a quadrupole, and an octupole. The dipole moment estimated by this model is approximately 2.4 x 10 to the 22nd G cu cm, tilted 2.3 degrees from the normal to the planetary orbital plane and having the same directional sense as that of the earth. The dipole, quadrupole, and octupole moment intensities are in the approximate ratios 1:0.4:0.3, respectively. All planetary field lines of the model magnetosphere are confined to a magnetospherelike region. Results are obtained which show the geometry, field line configuration, and field isointensity contours inside the magnetosphere of Mercury.

Whang, Y. C.↗