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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Robust control of the minima of high-order harmonics by fine-tuning the alignment of CO 2 molecules for shaping attosecond pulses and probing molecular alignment

In a recent paper, we reported that the position and depth of the minima in the harmonic spectra of CO 2 molecules can be dramatically manipulated by a slight change of the degree of alignment, thus providing a convenient method of shaping attosecond pulses which could lead to the splitting of a typical single attosecond burst into two. Here, we demonstrate that harmonic minima can also be dramatically controlled by changing the pump-probe angles to shape attosecond pulses. In the meanwhile, since the pump-probe angle-dependent harmonic spectra are very sensitive to the degree of alignment, harmonic spectra can also be used to calibrate the alignment distribution of molecules. In this work we identify such robust control of harmonic generation is due to the optical property of CO 2 and the coherent harmonic emission from the oriented molecules. The photoionization transition dipoles (PITDs) of CO 2 exhibit deep minima that change rapidly with molecular orientations accompanied by large phase changes of π in PITDs, thus leading to strong interference when the dipoles are added up coherently.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1982

Equivalent source modeling of the main field using MAGSAT data

An iterative least squares estimation algorithm with the capability for including a priori statistical information was implemented to recover multiple magnetic dipole models of the Earth's main magnetic field. The dipoles are fixed to a specified radius at or below the core-mantle boundary and centered on equal area blocks. The algorithm can solve for dipole magnitudes only (fixed orientations), or allow full freedom of orientation and solve for vector components. External field parameters and observatory anomaly biases can also be estimated simultaneously. Time dependence is modeled using first time derivatives for dipole vector components. Single-epoch and time dependent dipole models are derived using MAGSAT and observatory annul means data. Equivalent spherical harmonic representation are computed in closed form from the dipole models and compared with truncated spherical harmonic models estimated in the standard way from the same data sets. In particular, a 21 deg spatial resolution model based on 93 dipoles was computed based on observatory annual means data and a selected MAGSAT data set and was compared with candidate IGRF 1975 models and their 1980 secular variation.

Mayhew, M. A.↗
NASA NTRS1981

Spherical harmonic representation of the main geomagnetic field for world charting and investigations of some fundamental problems of physics and geophysics

Quiet-day data from MAGSAT were examined for effects which might test the validity of Maxwell's equations. Both external and toroidal fields which might represent a violation of the equations appear to exist, well within the associated errors. The external field might be associated with the ring current, and varies of a time-scale of one day or less. Its orientation is parallel to the geomagnetic dipole. The toriodal field can be confused with an orientation in error (in yaw). It the toroidal field really exists, its can be related to either ionospheric currents, or to toroidal fields in the Earth's core in accordance with Einstein's unified field theory, or to both.

Barraclough, D. R.↗
NASA NTRS1985

Deduction of coronal magnetic fields using microwave spectroscopy

Gyroresonance opacity renders the solar corona optically thick at frequencies which are low integral multiples of the local gyrofrequency. This causes the microwave spectrum of sunspots to be sensitive to the strength of coronal magnetic fields. The concept is illustrated by high spectral resolution observations of a sunspot acquired with the Owens Valley frequency-agile interferometer. The observed spectrum is compared to the results of three-dimensional atmospheric model calculations in which the sunspot field is represented by the potential field of a dipole located beneath the photosphere. The comparison enables the depth, orientation and magnetic moment of the dipole that best fits the observations to be determined. Since such observations require that the microwave emission be resolved spectrally, not spatially, the technique may be applicable to the study of stellar coronal fields.

Hurford, G. J.↗
NASA NTRS1981

Magnetic field configuration of the heliosphere in interstellar space

An improved model of the heliospheric magnetic field configuration is presented by including a uniform interstellar magnetic field and by adopting different values for a few magnetic field parameters. All the basic expressions for the magnetic field components remain the same as in Akasofu et al. (1980). In the magnetic arcade field, the magnetic field of the spherical dipoles is changed from 500 to 50 G. In the field of an extensive current disk around the sun lying in the ecliptic plane, the solar current disk extends from a distance of 1.5 solar radii instead of 10 solar radii. A uniform and southward directed interstellar magnetic field of 0.22 gamma is included. The total magnetic field configuration is constructed for the northward and southward orientation of the solar dipole field.

Akasofu, S.-L.↗
DOE OSTI2024

Influence of substituents on the vectorial difference static dipole upon excitation in synthetic bacteriochlorins

Organic dye aggregates have been shown to exhibit exciton delocalization in natural and synthetic systems. Such dye aggregates show promise in the emerging area of quantum information science (QIS). We believe that the difference static dipole (Δd) is an essential dye parameter in the development of molecular QIS systems. However, a foundational understanding of the structural factors influencing Δd remains elusive. Bacteriochlorins play a vital role in photosynthesis due to their exceptional photophysical properties. Therefore, bacteriochlorins are particularly suitable dyes for the construction of aggregate systems for QIS. Synthetic bacteriochlorins further offer stability and tunability via chemical modifications. Here, the influence of substituents on the Δd of monomeric (non-aggregated) dyes was investigated via density functional theory (DFT) and time-dependent (TD-)DFT in a set of 5-methoxybacteriochlorins progressively substituted with ethynyl, phenyl, and phenylethynyl substituents at the 3,13- and 3,13,15-positions of the macrocycle. Symmetrically substituted 5-methoxybacteriochlorins were shown to have the largest Δd. The increase in Δd in the series of dyes was largely due to changes in orientation of the static dipole upon excitation rather than large changes in magnitude. In addition, the transition dipole (μ) and the angle between Δd and μ (ζ) were calculated. Three 5-methoxybacteriochlorins with high predicted Δd and μ were synthesized and characterized spectroscopically. The trend in Δd values empirically determined using the solvatochromic Stokes shift method was comparable with the DFT calculations.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Studies of LAPPD and HRPPD photodetectors for Cherenkov imaging applications

HRPPDs are the baseline single-photon sensors for a classic proximity-focusing RICH (pfRICH) counter, one of the Cherenkov radiation-based PID subsystems of the ePIC detector at the EIC. We report SPE time resolution of 87 ps rms for an LAPPD unit detecting Cherenkov photons in a quartz lens at a CERN PS test beam (2022). We also present the degradation and partial recovery of gain and relative efficiency of an LAPPD unit as a function of the B-field strength (up to 1.5 T) and angular orientation, measured with vertical dipole magnets at CERN (2023–2024). Finally, we report preliminary results of an accelerated ageing study performed on an HRPPD unit in Trieste laboratory (2025).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
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↗
NASA NTRS1975

Low-loss, circularly-polarized dichroic plate

Dichroic plate has orthogonally-disposed, loaded dipole apertures with their orientations arranged so as to cancel cross-coupling effects which would otherwise result in power loss to circularly polarized signal.

Woo, R. T.↗
NASA NTRS1990

A pincer-shaped plasma sheet at Uranus

An MHD simulation of the terrestrial magnetosphere, rescaled to represent the Uranian magnetotail, is carried out. The 3p immersion can be explained in terms of possible extreme departures from average plasma sheet shapes in the Uranian magnetosphere. The orientation of the Uranian dipole and rotation axes produce a dynamically curved plasma sheet which is an unusual feature of the Uranian magnetosphere.

Hammond, C. Max↗
NASA NTRS1994

Analytical models of the magnetic field of disk-shaped current sheets

Disk-shaped current distributions are useful tools in modeling the magnetospheres of Earth and other planets and have also been adapted for modeling the geotail. Such models usually start with an axisymmetric vector potential but may be modified to account for observed asymmetries, variable thickness, and warping in response to an inclined orientation of the planetary dipole axis. Models of this type until now either have lacked the ability to simulate a sharp inner edge of the current and to control accurately its falloff with distance or did not allow a simple analytical representation. Here existing methods will be reviewed, after which a new class of models which overcomes the above deficiencies and also allows the modeling of current disks of finite thickness flanked by current-free regions will be presented.

Tsyganenko, N. A.↗
NASA NTRS2003

A Macroscopic Realization of the Weak Interaction

A.J.Leggett suggested in 1977 that a permanent electric dipole moment due to the parity-nonconserving electron-nucleon interaction, even though it is extremely small, could be measured in the superfluid He-3 B because the moment should be proportional to the size of the sample in this system. If this moment is observed, it will be the first example of a macroscopic realization of the weak interaction. In our planned experiments, a high electric field of up to 6 kV/cm is applied between two parallel electrodes in the He-3 sample. We expect to observe the NMR frequency of the lowest-lying spin-wave mode trapped by the liquid crystal-like texture of the B phase rotation axis in our geometry. The interaction of the electric field and the macroscopic permanent electric dipole moment, which is oriented along the rotation axis, will cause a small change in the texture and hence a small increase in the frequency of the spin wave mode. Besides the basic ideas, we present the purpose and the design of our first cell that is under construction.

Nishimori, Arito↗
DOE OSTI2025

Surface orientation ambiguity for single molecules at dielectric interfaces

Fluorescent molecules emit light in a dipole radiation pattern that can be used to infer their orientation through defocused fluorescence microscopy. Proper measurement of the orientation requires mathematical modeling of the radiation pattern expected for a dipole in the geometry of interest and subsequent comparison against experimental data. We point out an ambiguity in common calculations of these patterns that appears to compromise orientation measurements for molecules that are especially near dielectric surfaces. This results in a rotation of the measured emission dipole toward the surface for near-interface molecules, which can be mistaken for a preferentially horizontal orientation among the emitters. The proper treatment for on-surface emitters requires consideration of finite-sized current elements between two dielectric media, and we show that the theoretical ambiguity can be lifted via finite-element modeling. A prescription is provided for correcting measured orientations at arbitrary interfaces.

Dey, E. [University of Texas, Arlington, TX (Unite↗
NASA NTRS1986

Plasmasphere formation in arbitrarily oriented magnetospheres

The formation of plasmaspheres in planetary magnetospheres with arbitrary orientations of the rotation and magnetic dipole axes is investigated. A traditional plasmasphere with closed orbits inside the plasmapause and open trajectories outside it only occurs for the limiting case of aligned rotation and dipole axes. A time-variable plasmapause exists if the rotation axis is perpendicular to the solar win flow direction. In any other case, no definite plasmapause exists. Solar wind-driven convection transports plasma throughout the magnetosphere with an effectiveness which increases as the orientation goes further from one of the two limiting cases of strict plasmapause formation. The present analysis is applied to earth and Uranus using the actual orientations of the rotation and dipole axes. Particle trajectories at earth deviate only slightly from those obtained with traditional models. Uranus has no plasmasphere, and plasma convects sunwards throughout the inner magnetosphere.

Selesnick, R. S.↗
DOE OSTI2024

Generation of out-of-plane ferroelectric behavior in a one-atom-thick monolayer

Ferroelectricity with out-of-plane polarization has so far been found in several two-dimensional (2D) materials, including monolayers comprising three to five planes of atoms, e.g. α-In 2 Se 3 and MoTe 2 . Here, we explore the generation of out-of-plane polarization within a one-atom-thick monolayer material, namely hexagonal boron nitride. We performed density-functional-theory calculations to explore inducing ferroelectric-like distortions through incorporation of isovalent substitutional impurities that are larger than the host atoms. This disparity in bond lengths causes a buckling of the h-BN, either up or down, which amounts to a dipole with two equivalent energies and opposing orientations. We tested several impurities to explore the magnitude of the induced dipole and the switching energy barrier for dipole inversion. The effects of strain, dipole–dipole interactions, and vertical heterostructures with graphene are further explored. Our results suggest a highly-tunable system with ground state antiferroelectricity and metastable ferroelectricity. Finally, we expect that this work will help foster new ways to include functionality in layered 2D-material-based applications.

36 MATERIALS SCIENCE↗
NASA NTRS1991

An explanation for both the large inclination and eccentricity of the dipole-like field of Uranus and Neptune

It is shown that the offset tilted dipole model of Uranus and Neptune, deduced from the spherical harmonic analysis of the Voyager magnetic field observation, can be represented fairly well by the combined field of an axial and an auxiliary dipole; the latter is roughly oriented in the east-west direction and is located near the surface of the core in low latitude. The present dynamo theories of planetary magnetism consider an axial dipolar field as an essential element, since the planetary rotation plays a vital role in the dynamo process. On the other hand, the auxiliary dipoles may be a result of leakage of the toroidal field, like a pair of sunspots on the photosphere, which is also an essential part of the dynamo process.

Akasofu, S.-I.↗
DOE OSTI2020

Ferromagnetic resonance in single vertices and 2D lattices macro-dipoles of elongated nanoelements: measurements and simulations

We report broadband ferromagnetic resonance measurements of the in-plane magnetic field response of three- and four-fold symmetric vertices formed by non-contacting permalloy nano-ellipses together with extended lattices constructed from them. Complementing the experimental data with simulations, we are able to show that, as far as the most intense FMR responses are concerned, the spectra of vertices and lattices can largely be interpreted in terms of a superposition of the underlying hysteretic responses of the individual ellipses, as elemental building blocks of the system. Here, this property suggest that it is possible to understand the orientation of the individual magnetic dipole moments in a dipole network in terms of dynamic measurements alone, thereby offering a powerful tool to analyze the alignment statistics in frustrated systems that are exposed to various magnetic histories.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1999

Molecular Modeling of the Poling of Piezoelectric Polyimides

The computational method described in this paper allows the calculation of the dielectric relaxation strength of an amorphous polymer based solely upon its chemical structure. The 4,4' oxydiphthalic anhydride (ODPA) dianhydride and bis-aminophenoxybenzene (APB) diamine based polyimides, (beta-CN) APB-ODPA and APB-ODPA were studied. Amorphous cells were constructed and then poled using molecular dynamics. Dielectric relaxation strengths of Delta(epsilon) = 17.8 for (beta-CN) APB-ODPA and Delta(epsilon) = 7.7 for APB-ODPA were predicted. These values are in excellent agreement with the experimental values. It was found that both the pendant nitrile dipole and the backbone anhydride residue dipole make significant contributions to the polyimides dielectric response. Specifically, it was shown that the difference in the magnitude of the dielectric relaxations is directly attributable to the nitrile dipole. The size of the relaxations indicate an absence of cooperative dipolar motions, The model was used to explain these results in terms of the average orientation of the nitrile and anhydride dipoles to within 51 deg. and 63 deg., respectively, of the applied electric field.

Young, J. A.↗