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NASA NTRS2000

Electrostatics of Granular Material (EGM): Space Station Experiment

Aggregates were observed to form very suddenly in a lab-contained dust cloud, transforming (within seconds) an opaque monodispersed cloud into a clear volume containing rapidly-settling, long hair-like aggregates. The implications of such a "phase change" led to a series of experiments progressing from the lab, to KC-135, followed by micro-g flights on USML-1 and USML-2, and now EGM slated for Space Station. We attribute the sudden "collapse" of a cloud to the effect of dipoles. This has significant ramifications for all types of cloud systems, and additionally implicates dipoles in the processes of cohesion and adhesion of granular matter. Notably, there is the inference that like-charged grains need not necessarily repel if they are close enough together: attraction or repulsion depends on intergranular distance (the dipole being more powerful at short range), and the D/M ratio for each grain, where D is the dipole moment and M is the net charge. We discovered that these ideas about dipoles, the likely pervasiveness of them in granular material, the significance of the D/M ratio, and the idea of mixed charges on individual grains resulting from tribological processes --are not universally recognized in electrostatics, granular material studies, and aerosol science, despite some early seminal work in the literature, and despite commercial applications of dipoles in such modern uses as "Krazy Glue", housecleaning dust cloths, and photocopying. The overarching goal of EGM is to empirically prove that (triboelectrically) charged dielectric grains of material have dipole moments that provide an "always attractive" intergranular force as a result of both positive and negative charges residing on the surfaces of individual grains. Microgravity is required for this experiment because sand grains can be suspended as a cloud for protracted periods, the grains are free to rotate to express their electrostatic character, and Coulombic forces are unmasked. Suspended grains will be "interrogated" by applied electrical fields. In one module, grains will be immersed in an inhomogeneous electric field and allowed to be attracted towards or repelled from the central electrode of the module: part of the grain's speed will be a function of its net charge (monopole), part will be a function of the dipole. Observed grain position vs. time will provide a curve that can be deconvolved into the dipole and monopole forces responsible, since both have distinctive radial dependencies. In a second approach, the inhomogeneous field will be alternated at low frequency (e.g., every 5-10 seconds) so that the grains are alternately attracted and repelled from the center of the field. The resulting "zigzag" grain motion will gradually drift inwards, then suddenly change to a unidirectional inward path when a critical radial distance is encountered (a sort of "Coulombic event horizon") at which the dipole strength supersedes the monopole strength --thus proving the presence of a dipole, while also quantifying the D/M ratio. In a second module, an homogeneous electric field eliminates dipole effects (both Coulombic and induced) to provide calibration of the monopole and to more readily evaluate net charge statistical variance. In both modules, the e-fields will be exponentially step-ramped in voltage during the experiment, so that the field "nominalizes" grain speed while spreading the response time --effectively forcing each grain to "wait its turn" to be measured. In addition to rigorously quantifying M, D, and the D/M ratio for many hundreds of grains, the experiment will also observe gross electrometric and RF discharge phenomena associated with grain activity. The parameter space will encompass grain charging levels (via intentional triboelectrification), grain size, cloud density, and material type. Results will prove or disprove the dipole hypothesis. In either case, light will be shed on the role of electrostatic forces in governing granular systems. Knowledge so gained can be applied to natural clouds such as protostellar and protoplanetary dust and debris systems, planetary rings, planetary dust palls and aerosols created by volcanic, impact, aeolian, firestorm, or nuclear winter processes. The data are also directly applicable to adhesion, cohesion, transport, dispersion, and collection of granular materials in industrial, agricultural, pharmaceutical applications, and in fields as diverse as dust contamination of space suits on Mars and crop spraying on Earth.

Marshall, J.↗

NASA NTRS1990

Dipole analysis on EGRET data of extragalactic gamma ray background radiation

A dipole analysis on the EGRET (Energetic Gamma-Ray Experimental Telescope) data seems to be one of the numerous subjects that can be investigated for the extragalactic gamma ray background radiation. By the end of the first one and half years after launch, the all-sky survey program of GRO (Gamma Ray Observatory) will be completed. The EGRET detector will cover the full sky area fairly well by that time. A set of gamma ray data suitable for dipole moment calculations will be available. Furthermore, there now exist in the literature several dipole anisotropy results calculated for optical and infrared observations on the distribution of galaxies in the full sky. The results of dipole moment analysis from gamma ray observation can be compared with those at other wavebands, and hopefully some deeper understanding can be gained on the large scale structure of the Universe.

Lin, Ying-Chi↗

NASA NTRS1994

Molecular Spectroscopy by Ab Initio Methods

Due to recent advances in methods and computers, the accuracy of ab calculations has reached a point where these methods can be used to provide accurate spectroscopic constants for small molecules; this will be illustrated with several examples. We will show how ab initio calculations where used to identify the Hermann infrared system in N2 and two band systems in CO. The identification of all three of these band systems relied on very accurate calculations of quintet states. The analysis of the infrared spectra of cool stars requires knowledge of the intensity of vibrational transitions in SiO for high nu and J levels. While experiment can supply very accurate dipole moments for nu = 0 to 3, this is insufficient to construct a global dipole moment function. We show how theory, combined by the experiment, can be used to generate the line intensities up to nu = 40 and J = 250. The spectroscopy of transition metal containing systems is very difficult for both theory and experiment. We will discuss the identification of the ground state of Ti2 and the spectroscopy of AlCu as examples of how theory can contribute to the understanding of these complex systems.

Bauschlicher, Charles W., Jr.↗

NASA NTRS1988

Theoretical study of the NO gamma system

A systematic study of the NO gamma system with level of correlation treatment was carried out using large Gaussian basis sets to determine the potential curves for the X2Pi and A2Sigma(+) states of NO. It is shown that the A2Sigma-X2Pi electronic transition moment (gamma system) increases monotonically with decreasing internuclear distance and that the increase in the moment as r decreases is correlated with the increasing degree of diffuse character in the X2Pi state. The results of a study of the X2Pi and A2Sigma(+) dipole moment functions showed that the X2Pi vibrationally averaged dipole moments and the (1-0) and (2-0) vibration-rotation band intensities agree well with experimental data.

Langhoff, Stephen R.↗

DOE OSTI2024

Filling constraints on translation invariant dipole conserving systems

Systems with conserved dipole moment have drawn considerable interest in light of their realization in recent experiments on tilted optical lattices. Here, an important question for such systems is delineating the conditions under which they admit a unique gapped ground state that is consistent with all symmetries. Here, we study one-dimensional translation-invariant lattices that conserve U(1) charge and Z L dipole moment, where discreteness of the dipole symmetry is enforced by periodic boundary conditions, with L the system size. We show that in these systems, a symmetric, gapped, and non-degenerate ground state requires not only integer charge filling, but also a fixed value of the dipole filling, while other fractional dipole fillings enforce either a gapless or symmetry-breaking ground state. In contrast with prior results in the literature, we find that the dipole filling constraint depends both on the charge filling as well as the system size, emphasizing the subtle interplay of dipole symmetry with boundary conditions. We support our results with numerical simulations and exact results.

1-dimensional systems↗

DOE OSTI2026

Rotational memory function of SPC/E water

Memory effects are essential for the dynamics of condensed materials and are responsible for non-exponential relaxation of correlation functions of dynamic variables through the memory function. Memory functions of dipole rotations for water have never been calculated directly from molecular dynamics simulations. We present here calculations of memory functions for single-dipole rotations and for the overall dipole moment of the sample for SPC/E water. The normalized memory functions for single-particle and collective dipole dynamics turn out to be nearly identical. This result validates theories of dielectric spectroscopy in terms of single-particle time correlation functions and the connection between the collective and single-particle relaxation times through the Kirkwood factor. The dielectric function in this formalism contains no new dynamic information that does not exist in the single-dipole correlation function. A short memory time, ≲1 fs, justifies the use of the mathematics of rotational diffusion to describe the dynamics of a single molecular dipole moment in bulk water. Here, an analytical equation for the rotational memory time is derived.

Asthagiri, Dilipkumar N. [Oak Ridge National Labor↗

NASA NTRS1982

Microwave rotational spectroscopy

The region of planetary atmospheres upward of 1 millimeter is considered. The applications of this region, how microwave, millimeter, and submillimeter spectra (the so called rotational spectra) can fruitfully interact with infrared spectral measurements are described. Both the rotational bands and vibrational bands of molecules are considered. A typical rotational absorption coefficient for a linear molecule in a low J state with a dipole moment of about one Debye is plotted and evaluated. A vibrational case was chosen similarly: the transition dipole moment used for the vibrational case is typical of CO at the peak of its rotational distribution. Information on high altitude parameters that often cannot be obtained from higher frequency spectra, which can be provided by rotational spectra is discussed.

Pickett, H.↗

DOE OSTI2025

Ultrafast Electron–Dipole Interactions in TeO- Photodetachment

We present direct experimental evidence of ultrafast coupling between ejected electrons and dynamically forming dipole moments in TeO, captured during the photodetachment of TeO?. By combining high-resolution cryogenic photoelectron spectroscopy with velocity-map imaging, we assess previously inaccessible excited states and resolve rich photoelectron angular distributions (PADs) that encode electron–dipole interactions. Systematic comparison of PADs from femtosecond and picosecond lasers reveals striking deviations from free-electron behavior, representing direct evidence of a transient dipole moment evolving on femtosecond timescales. Quantitative analysis pinpoints the dipole buildup time to be within ~60 fs, providing real-time access to the birth of a molecular dipole field. This work establishes a general approach to probing electron-dipole interactions in their formation stages, offering fundamental insights into the ultrafast interplay between departing electrons and transient polar systems — a process that lies at the core of atomic, molecular, and ultrafast physics.

Yang, Fan↗

NASA NTRS1998

On Geomagnetism and Paleomagnetism

A statistical description of Earth's broad scale, core-source magnetic field has been developed and tested. The description features an expected, or mean, spatial magnetic power spectrum that is neither "flat" nor "while" at any depth, but is akin to spectra advanced by Stevenson and McLeod. This multipole spectrum describes the magnetic energy range; it is not steep enough for Gubbins' magnetic dissipation range. Natural variations of core multipole powers about their mean values are to be expected over geologic time and are described via trial probability distribution functions that neither require nor prohibit magnetic isotropy. The description is thus applicable to core-source dipole and low degree non-dipole fields despite axial dipole anisotropy. The description is combined with main field models of modem satellite and surface geomagnetic measurements to make testable predictions of: (1) the radius of Earth's core, (2) mean paleomagnetic field intensity, and (3) the mean rates and durations of both dipole power excursions and durable axial dipole reversals. The predicted core radius is 0.7% above the 3480 km seismologic value. The predicted root mean square paleointensity (35.6 mu T) and mean Virtual Axial Dipole Moment (about 6.2 lx 1022 Am(exp 2)) are within the range of various mean paleointensity estimates. The predicted mean rate of dipole power excursions, as defined by an absolute dipole moment <20% of the 1980 value, is 9.04/Myr and 14% less than obtained by analysis of a 4 Myr paleointensity record. The predicted mean rate of durable axial dipole reversals (2.26/Myr) is 2.3% more than established by the polarity time-scale for the past 84 Myr. The predicted mean duration of axial dipole reversals (5533 yr) is indistinguishable from an observational value. The accuracy of these predictions demonstrates the power and utility of the description, which is thought to merit further development and testing. It is suggested that strong stable stratification of Earth's uppermost outer core leads to a geologically long interval of no dipole reversals and a very nearly axisymmetric field outside the core. Statistical descriptions of other planetary magnetic fields are outlined.

Voorhies, Coerte V.↗

NASA NTRS1992

On the galactic origin of gamma ray bursts

If gamma ray bursters are in the galactic disk, then the average value of the V/Vmax parameter cannot be lower than 0.4, no matter what is the source luminosity function or what is the disk thickness. The value of 0.4 is reached only asymptotically when the range of observations is much larger than the disk scale height, and almost all sources are within a very thin galactic equatorial belt. This distribution is in a direct conflict with the BATSE results as presented. If the bursters have a galactic halo distribution similar to that of any other known class of objects, then a strong dipole moment in their angular distribution should be seen, i.e., a strong concentration towards the galactic center. To make the dipole moment unmeasurable, the hypothetical burster's halo must have a core radius of at least 14 kpc (a 3 sigma limit) to be consistent with the BATSE results as presented.

Paczynski, Bohdan↗

DOE OSTI2025

Toward the determination of 𝐶⁢𝑃-odd pion-nucleon couplings

The nucleon matrix elements (NMEs) associated with quark chromomagnetic dipole moments (cMDMs) play a crucial role in determining the 𝐶𝑃-odd pion-nucleon couplings induced by quark chromoelectric dipole moments. In recent years, it has been argued that the NMEs of cMDMs can be related to the third moment of the nucleon's higher-twist (specifically, twist-3) parton distribution function (PDF) 𝑒⁡(𝑥), which can, in principle, be measured through dihadron production in semi-inclusive deep inelastic scattering processes. By applying the spin-flavor expansion to the cMDM operators in the large-𝑁 𝑐 limit, where 𝑁 𝑐 is the number of quark colors, we show that the NMEs receive contributions not only from the twist-3 PDF 𝑒⁡(𝑥) but also from an additional, previously neglected nucleon form factor. Incorporating constraints from the spin-flavor expansion, recent experimental data on 𝑒⁡(𝑥), as well as model calculations of 𝑒⁡(𝑥), we estimate the NMEs of the cMDM operators. Our analysis indicates that the NMEs are dominated by the nucleon form factors, and the cMDM contributions to pion-nucleon couplings can be comparable to those from the quark sigma terms.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Harnessing the Spin-Flip Radiative Lifetimes of Optically Addressable Molecular Qubits

Optically addressable molecular qubits based on spin-flip (SF) emissive transitions are promising candidates for quantum technologies due to their sharp luminescence lines and tunable optical-spin interfaces. Yet, the microscopic mechanisms controlling the spin-flip radiative lifetime of SF emitters, a key property for efficient spin readout, remain largely unexplored. Here, we present a computational study of several Cr 4+ and Mo 4+ pseudotetrahedral molecular qubits, and we identify chemical and structural features that influence the transition dipole moment associated with the SF emission, which, in turn, governs the SF radiative lifetime. We find that the magnitude of the dipole moment is governed by the multireference character of the spin-flip excited-state wave function, which can be modulated by tuning the energy separation between the d orbitals of the metal and the spin-pairing energy. Both parameters are sensitive to molecular symmetry, metal–ligand bond covalency, and bond anisotropy and leave room for modulation via ligand and metal design, as well as applied strain, which is relevant for sensing applications. Our findings provide a mechanistic framework for understanding and tuning the spin-flip radiative behavior of molecular qubits and SF emitters that may guide future advances in quantum information science.

molecular qubits↗

NASA NTRS1990

The X-ray flux dipole of active galactic nuclei and the peculiar motion of the Local Group

X-ray emission from 30 resolved AGN's are used to study the dipole moment of their flux distribution on the sky. The data are derived from the Piccinotti et al. (1982) survey. X-ray fluxes are analyzed in terms of the alignment with the direction of the Local Group (LG) of galaxies. It is observed that the direction of the dipole moment of the flux is (313 deg, 38 deg); the dipole direction deviates from the LG velocity by 39 deg. It is detected that the amplitude of the dipole is about 50 percent of the corresponding monopole. Based on a comparison of the data with previous observations it is suggested that the X-ray emission from AGNs traces the underlying mass distribution at least as strongly as optical and IR emission from galaxies.

Miyaji, Takamitsu↗

NASA NTRS1981

A comparison of characteristic times for satellite absorption of energetic protons trapped in the Jovian and Saturnian magnetic fields

The characteristic times for the absorption of energetic particles trapped in the Jupiter and Saturn magnetospheres by the respective planetary satellites are compared on the basis of Pioneer 10 and 11 data. Characteristic radiation lifetimes with respect to satellite absorption were calculated on the basis of a model of the radial diffusion of particles by the violation of the third adiabatic invariant in the presence of perfectly absorbing satellites, taking into account the tilt and offset of the planetary magnetic dipole moment vectors with respect to the spin axis and the finite gyroradii and bounce periods of the trapped particles. For energetic particles of dipole moments from 1 to 10,000 MeV/G, it is found that the Saturnian times average at least an order of magnitude less than the Jovian times, and the Jovian times increase with increasing trapped particle magnetic mirror latitude. If it is assumed that the rates of radial diffusion are comparable in the two magnetospheres, the results indicate that the Saturnian satellites are more efficient absorbers of inwardly diffusing ions than are the Jovian satellites, due to the near rotational symmetry of the Saturnian magnetic field.

Hood, L. L.↗

NASA NTRS1984

Continental and oceanic crustal magnetization modelling

Inversion of magnetic data from the MAGSAT satellite, to arrive at intensities of magnetization of the Earth's crust, was performed by two different methods. The first method uses a spherical harmonic model of the magnetic field. The coefficients believed to represent sources in the Earth's crust can then be inverted to arrive at vertical dipole moments per unit area at the Earth's surface. The spherical harmonic models contain coefficients of degrees of harmonics up to 23. The dipole moment per unit area for a surface element can then be determined by summing the contribution for each individual degree of harmonic. The magnetic moments were calculated for continental and oceanic areas separately as well as over certain latitudinal segments. Of primary concern was to determine whether there are any differences between continental and oceanic areas. The second analysis with magnetization intensities was made using narrower ranges of degrees of harmonics, assuming that higher degrees are present in the core field signal.

Harrison, C. G. A.↗

NASA NTRS1979

Model magnetosphere of Mercury

A three-dimensional quantitative model of Mercury's magnetosphere based on Mariner 10 data is presented. The model assumes that the Mercury surface magnetic field consists of a dipole, a quadrupole, and an octupole. The dipole moment is determined, noting that the intensity of the quadrupole moment is 45% of the dipole, and that of the octupole moment is 29% of the dipole. The model meets four critical tests: (1) it produces the smallest residuals, (2) it can reproduce the crossing of a tail current sheet by Mariner 10, (3) all planetary field lines are confined inside the model magnetosphere, and (4) the size of the model agrees with the magnetopause crossings observed from Mariner 10. In addition, the plasma characteristics and regions of quiet and disturbed signatures observed from Mariner 10 are discussed.

Whang, Y. C.↗

NASA NTRS1984

Line strengths of N2O in the 1120-1440/cm region

Line strengths of N2O and its isotopic derivatives in the 1120-1440/cm region were measured at low pressure and high resolution (0.0054/cm). The band strength, rotationless dipole moment matrix elements, and F factor coefficients were considered. First-order nondegenerate perturbation theory was employed to derive explicit expressions for the rotationless dipole moment matrix elements and F factor coefficients. This made it possible to obtain general expressions for the F factor. The derived expressions were also applicable to CO2 bands.

Toth, R. A.↗

DOE OSTI2026

Optimizing injection for the storage ring proton-EDM experiment

The proposed proton electric dipole moment (pEDM) experiment at Brookhaven National Laboratory (BNL), to be built inside the alternating gradient synchrotron (AGS) tunnel, aims to measure the proton’s electric dipole moment with a sensitivity of 10 −29 𝑒 cm. This paper presents the design of the injection line from the AGS booster to the pEDM storage ring, utilizing portions of the existing booster-to-AGS (BtA) transfer line. Building on the symmetric-hybrid lattice design [, Comprehensive symmetric-hybrid ring design for a proton-EDM experiment at below 10 −29 𝑒 cm, Phys. Rev. D 105, 032001 (2022)], our study emphasizes rigorous optics matching, detailed particle and spin tracking, and systematic error mitigation essential for achieving a target sensitivity of 10 −29 𝑒 cm. This design preserves the proton’s vertical spin orientation within ±20 mrad, a critical requirement for the pEDM measurement. Particle and spin tracking simulations using the ray-tracing code Zgoubi [F. Méot, Zgoubi users’ guide, Technical Report, Brookhaven National Laboratory (BNL), Relativistic Heavy Ion Collider (RHIC), Upton, NY, 2012] validate the design’s performance, demonstrating its feasibility for this precision experiment. The simulation results demonstrate that both clockwise (CW) and counterclockwise (CCW) injection lines meet the stringent beam envelope and polarization requirements.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗