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DOE OSTI2025

Seedless nonresonant gas-flow velocimetry with single-shot coherent Rayleigh-Brillouin scattering

We demonstrate neutral gas-flow velocimetry by exploiting the optical dipole forces exerted by precisely tailored high-intensity laser fields on polarizable particles, in the form of single-shot coherent Rayleigh-Brillouin scattering (CRBS). This enables mapping of the velocity distribution function of the particles in a single laser shot of approximately 200 ns duration, allowing us to perform spectroscopic measurements in the time, rather than the frequency, domain. Importantly, CRBS results in a coherent signal beam, which renders the technique ideal for measurements in optically noisy environments. By correlating the time shift of the resulting spectrum to the Doppler shift caused by the bulk motion of particles, we perform neutral gas-flow velocimetry without the need to seed the flow, nondestructively, for a variety of gases, atomic or molecular. We demonstrate gas-flow velocimetry at flow velocities as low as 1 m ⁢s −1 , with similar velocity resolution, while temperature and gas density can also be estimated from the same single-shot spectra. To prove the effectiveness of the measurement technique, we benchmark it against Pitot tube measurements, which show excellent agreement.

Gerakis, Alexandros [Luxembourg Institute of Scien↗

DOE OSTI2025

QCD splitting functions beyond kinematical limits

In this talk, I will present a new decomposition of QCD splitting functions, carried out systematically up to second order in the strong coupling. The core idea is to separate the splitting functions into two components: scalar dipole radiator functions and pure splitting remainders. While these pieces include terms that are formally subleading in the soft or collinear limits, they turn out to be universal and well understood. Unlike conventional approaches, our construction does not rely on any soft or collinear approximations. This framework not only offers a clearer understanding of the structure of higher-order QCD corrections but also paves the way for more robust subtraction schemes in precision calculations.

Knobbe, Max [Fermilab]↗

NASA NTRS1972

The relation between momentum transfer and capture and total scattering cross sections for ion-dipole collisions

Numerical values of momentum transfer cross sections sigma sub m for ion-dipole collisions are compared with the corresponding capture cross sections sigma sub c as a function of ion velocity and rotational temperature. For values of dipole moment mu from 1 to 4 Debyes the sigma sub m/sigma sub c ratio is in the range 1.2 to 2.0 (roughly). This is in contrast to the simple relation for Langevin collisions where sigma sub m/sigma sub c is equal to or approximately 1.10 independent of polarizability of the target atom. At low temperatures, the momentum transfer cross sections can be as large as 2000 A squared but they are only about 15 to 30 percent of the total scattering cross sections sigma sub S.

Dugan, J. V., Jr.↗

NASA NTRS1974

The influence of the direction of the geomagnetic dipole on the position of the neutral sheet

An analysis of neutral sheet crossings detected by the NASA-Goddard Space Flight Center magnetometer on the Explorer 34 satellite has shown that the diurnal wobble of the geomagnetic dipole measurably influences the position of the neutral sheet at 30 earth radii. Viewed in the solar-ecliptic coordinate system, the dipole wobble originates from the 11 deg angle between the earth's spin axis and the dipole axis, has a period of 24 hours, and can be resolved into components of motion perpendicular and parallel to the earth-sun line. The perpendicular component exerts a torque on the magnetotail and causes the neutral sheet to pivot about an axis approximately parallel to the solar wind direction. The parallel component encourages the neutral sheet to move above and below the solar-magnetospheric equatorial plane with an amplitude of 1 earth radius. This latter motion is consistent with the neutral sheet's being hinged at a geocentric distance of 5.25 earth radii.

Bowling, S. B.↗

DOE OSTI2021

Analyses of the excited 5f 1 optical spectra of Th 3+ compounds

We look at the electronic structure of Th(Cp") 3 (Cp" = η 5 -C 5 H 3 (SiMe 3 -1,3), a molecule which has a 6d 1 ground configuration and an excited 5f 1 configuration beginning approximately 14,000 cm -1 higher, is reexamined. The ground state of the 6d 1 configuration in a crystal field of D 3h symmetry is shown to be an orbitally quenched 2 A 1' state, best described as a pure 2 D 1/2 state. Electric dipole selection rules from this state to the states for the 5f 1 configuration in a D 3h crystal field result in the 5f 1 truncated optical spectrum observed. The optical spectrum of the square planar Th 3+ compound [Li(THF) 4 ][Th(OAr') 4 ], where (OAr' = OC 6 H 2 tBu 2 -2,6-Me-4), is discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Nuclear multipole responses from chiral effective field theory interactions

We probe nuclear multipole resonances in the framework of the random-phase approximation by using the interaction obtained from the chiral effective field theory. The three-nucleon force is included in a form of the in-medium two-nucleon interaction, which was derived from the chiral three-nucleon force. The isoscalar monopole, isoscalar dipole, isovector dipole, and isoscalar quadrupole resonances of the closed-shell 56,68,78 Ni have been investigated. The calculations reasonably reproduce the experimental multipole resonances of 56,68 Ni, and well describe the pygmy dipole resonance and dipole polarizability measured in 68 Ni. The multipole resonances of 78 Ni, including pygmy dipole resonance and dipole polarizability, are predicted. The detailed effects of the tensor force and three-body force are analyzed by dissecting the chiral interaction. In this work, we find that in general the tensor force effect on electric giant resonances is not as significant as the effect from the three-body force, although the tensor force provides more than half of the binding energy. The effect from three-body force is strong in light nuclei. Particularly, three-body force is crucial for the formation of the pygmy resonance in calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1992

A global magnetohydrodynamic simulation of magnetospheric dynamics when the IMF is southward: Mapping to the auroral zone

A high resolution global magnetohydrodynamic simulation model is used to investigate magnetospheric dynamics during intervals with southward interplanetary magnetic field (IMF). When the southward IMF reaches the dayside magnetopause reconnection begins and magnetic flux is convected into the tail lobes. After about 35 m, reconnection begins within the plasma sheet near midnight at x = -14 RE. Later the x-line moves towards the magnetopause. The reconnection occurs just tailward of the region where the tail attaches onto the dipole dominated inner magnetosphere. Later when all the plasma sheet field lines have reconnected a plasmoid moves down the tail. The region of the ionosphere where the energy flux from the magnetosphere is greatest is calculated. The energy flux is confined to a region which approximates the auroral oval.

Walker, Raymond J.↗

NASA NTRS1994

Flat microwave spectra seen at X-class flares

We report peculiar spectral activity of four large microwave bursts as obtained from the Solar Arrays at the Owens Valey Radio Observatory during observations of X-class flares on 24 May 1990 and 7, 8, 22 March 1991. Main observational points that we newly uncovered are: (1) flat flux spectra over 1-18 GHz in large amounts of flux ranging from 10(exp 2) to 10(exp 4) s.f.u. at the maximum phase, (2) a common evolutionary pattern in which the spectral region of dominant flux shifts from high frequencies at the initial rise to low frequencies at the decaying phase, and (3) unusual time profiles that are impulsive at high frequencies but more extended at lower frequencies. We carry out the model calculations of microwave spectra under assumptions of gyrosynchrotron mechanism and a dipole field configuration to reproduce the observational characteristics. Our results are summarized as follows. First, a flat microwave spectrum reaching up to 10(exp 2) - 10(exp 4) s.f.u. may occur in a case where a magnetic loop is extended to an angular size of approximately (0.7-7.0) x 10(exp -7) sterad and contains a huge number (N(E greater than 10 keV) approx. 10(exp 36) - 10(exp 38)) of nonthermal electrons with power-law index approx. 3-3.5 over the entire volume. Second, the observed spectral activity could adequately be accounted for by the shrinking of the region of nonthermal electrons to the loop top and by the softening of the power-law spectrum of electrons in a time scale ranging 3-45 min depending on the event. Third, the extended microwave activity at lower frequencies is probably due to electrons trapped in the loop top where magnetic fields are low. Finally, we clarify the physical distinction between these large, extended microwave bursts and the gradual/post-microwave bursts often seen in weak events, both of which are characterized by long-period activity and broadband spectra.

Lee, Jeongwoo W.↗

NASA NTRS2003

Improving the Science Observing Efficiency of the Chandra X-ray Observatory via Chandra Radiation

The Chandra X-ray Observatory (CXO), NASA' latest "Great Observatory", swas launched on July 23, 1999 and reached its final orbit on August 7, 1999. The CXO is in a highly elliptical orbit, approximately 140,000 km x 10,000 km, and has a period of approximately 63.5 hours (approx. 2.65 days). It transits the Earth's Van Allen belts once per orbit during which no science observations can be performed due to the high radiation environment. The Chandra X-ray Observatory Center currently uses the National Space Science Data Center's "near Earth" AP-8/AE-8 radiation belt model to predict the start and end times of passage through the radiation belts. Our earlier analysis demonstrated that our implementation of the AP-8/AE-8 model (a simple dipole model of the Earth's magnetic field) does not always give sufficiently accurate predictions of the start and end times of transit of the Van Allen belts. This led to a change in our operating procedure whereby we "padded" the start and end times of transit by 10 kiloseconds (ks) so that ACIS, the primary science instrument on-board Chandra, would not be exposed to the "fringes" of the Van Allen belts on ingress and egress for any given transit. This additional 20 ks per orbit during which Chandra is unable to perform science observations sums to approximately 3 Ms of "lost" science time per year and therefore reduces the science observing efficiency of the Observatory. To address the need for a higher fidelity radiation model appropriate for the Chandra orbit, the Chandra Radiation Model (CRM) was developed. The CRM is an ion model for the outer magnetosphere and is based on data from the EPIC/ICS instrument on-board the Geotail satellite as well as data from the CEPPAD/IPS instrument on-board the Polar satellite. With the production and implementation of the CRM, we present the results of a study designed to investigate the science observing time that may be recovered by using the CRM as a function of the additional low-energy proton exposure to ACIS.

Virani, Shanil↗

NASA NTRS2003

Improving the Science Observing Efficiency of the Chandra X-Ray Observatory via the Chandra Radiation Model

The Chandra X-ray Observatory (CXO), NASA's latest "Great Observatory", was launched on July 23, 1999 and reached its final orbit on August 7, 1999. The CXO is in a highly elliptical orbit, approximately 140,000 km x 10,000 km, and has a period of approximately 63.5 hours (N 2.65 days). It transits the Earth's Van Allen belts once per orbit during which no science observations can be performed due to the high radiation environment. The Chandra X-ray Observatory Center currently uses the National Space Science Data Center's "near Earth" AP-8/AE-8 radiation belt model to predict the start and end times of passage through the radiation belts. Our earlier analysis demonstrated that our implementation of the AP-8/AE-8 model (a simple dipole model of the Earth's magnetic field) does not always give sufficiently accurate predictions of the start and end times of transit of the Van Allen belts. This led to a change in our operating procedure whereby we "padded" the start and end times of transit by 10 kiloseconds (ks) so that ACIS, the primary science instrument on-board Chandra, would not be exposed to the "fringes" of the Van Allen belts on ingress and egress for any given transit. This additional 20 ks per orbit during which Chandra is unable to perform science observations sums to approximately 3 Ms of "lost" science time per year and therefore reduces the science observing efficiency of the Observatory. To address the need for a higher fidelity radiation model appropriate for the Chandra orbit, the Chandra Radiation Model (CRM) was developed. The CRM is an ion model for the outer magnetosphere and is based on data from the EPIC/ICS instrument on-board the Geotail satellite as well as data from the CEPPAD/IPS instrument on-board the Polar satellite. With the production and Implementation of the CRM, we present the results of a study designed to investigate the science observing time that may be recovered by using the CRM as a function of the additional low-energy proton exposure to ACIS.

Virani, Shanil↗

DOE OSTI2023

Comparison of Computational Strategies for the Calculation of the Electronic Coupling in Intermolecular Energy and Electron Transport Processes

Electronic couplings in intermolecular electron and energy transfer processes calculated by six different existing computational techniques are compared to nonorthogonal configuration interaction for fragments (NOCI-F) results. The paper addresses the calculation of the electronic coupling in diketopyrrolopyrol, tetracene, 5,5'-difluoroindigo, and benzene–Cl for hole and electron transport, as well as the local exciton and singlet fission coupling. NOCI-F provides a rigorous computational scheme to calculate these couplings, but its computational cost is rather elevated. The here-considered ab initio Frenkel–Davydov (AIFD), Dimer projection (DIPRO), transition dipole moment coupling, Michl–Smith, effective Hamiltonian, and Mulliken–Hush approaches are computationally less demanding, and the comparison with the NOCI-F results shows that the NOCI-F results in the couplings for hole and electron transport are rather accurately predicted by the more approximate schemes but that the NOCI-F exciton transfer and singlet fission couplings are more difficult to reproduce.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1985

Reverberation effects on directionality and response of stationary monopole and dipole sources in a wind tunnel

Analytical solutions for the three dimensional inhomogeneous wave equation with flow in a hardwall rectangular wind tunnel and in the free field are presented for a stationary monopole noise source. Dipole noise sources are calculated by combining two monopoles 180 deg out of phase. Numerical calculations for the modal content, spectral response and directivity for both monopole and dipole sources are presented. In addition, the effect of tunnel alterations, such as the addition of a mounting plate, on the tunnels reverberant response are considered. In the frequency range of practical importance for the turboprop response, important features of the free field directivity can be approximated in a hardwall wind tunnel with flow if the major lobe of the noise source is not directed upstream. However, for an omnidirectional source, such as a monopole, the hardwall wind tunnel and free field response are not comparable.

Baumeister, K. J.↗

NASA NTRS1986

Reverberation effects on directionality and response of stationary monopole and dipole sources in a wind tunnel

Baumeister, K. J.↗

NASA NTRS1992

Electromagnetic scattering in clouds

Techniques used to explain the nature of the optical effects of clouds on the light produced by lightning include a Monte Carlo simulation, an equivalent medium approach, and methods based on Boltzmann transport theory. A cuboidal cloud has been considered using transform methods and a diffusion approximation. Many simplifying assumptions have been used by authors to make this problem tractable. In this report, the cloud will have a spherical shape and its interior will consist of a uniform distribution of identical spherical water droplets. The source will be modeled as a Hertz dipole, electric or magnetic, inside or outside the cloud. An impulsive source is used. Superposition may be employed to obtain a sinusoid within an envelope which describes a lightning event. The problem is investigated by transforming to the frequency domain, obtaining Green's functions, and then using the Cagniard-DeHoop method to symbolically recover the time domain solution.

Solakiewicz, Richard↗

DOE OSTI2025

Gold-Standard Chemical Database 137 (GSCDB137): A Diverse Set of Accurate Energy Differences for Assessing and Developing Density Functionals

We present GSCDB137, a rigorously curated benchmark library of 137 data sets (8377 entries) covering main-group and transition-metal reaction energies and barrier heights, (intra- and intermolecular) noncovalent interactions, dipole moments, polarizabilities, electric-field response energies, and vibrational frequencies. Legacy data from GMTKN55 and MGCDB84 have been updated to today's best reference values; redundant or low-quality points were removed, and many new, property-focused sets were added. Testing 29 popular density functional approximations (DFAs) confirms the expected Jacob's-ladder hierarchy overall but also reveals notable exceptions: functional performance for frequencies and electric-field properties correlates poorly with that for other ground-state energetics. ωB97M-V and ωB97X-V are the most balanced hybrid meta-GGA and hybrid GGA, respectively; B97M-V and revPBE-D4 lead the meta-GGA and GGA classes. Double hybrids lower mean errors by about 30% versus their hybrid analogues but demand careful frozen-core, basis set, and spin contamination treatment. GSCDB137 offers a comprehensive, openly documented platform for rigorous validation of DFA and universal machine learning potentials, and training of the next generation of exchange-correlation functionals.

Liang, Jiashu [University of California, Berkeley,↗

DOE OSTI2022

Simulations of the nEDM@SNS light collection system efficiency

Here, a system for collecting the scintillation light produced by the capture of ultra-cold neutrons (UCN) on polarized 3 He is discussed and results from simulations of its performance are presented. This system will be implemented in nEDM@SNS, the experiment searching for the neutron electric dipole moment (nEDM) at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory. Simulation results show that the light collection system detects on average 17 photoelectrons per UCN- 3 He capture event (sufficient to generate a robust signal), reconstructs the event location in the beam direction to approximately 3 cm accuracy, detects capture events with a high and spatially uniform efficiency (0.95 with 1% variation), and rejects greater than 50% of beta decay background events.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

A new way to unravel the $^{12}$C($\alpha $,$\gamma $)$^{16}$O cross section components using neural networks

The $^{12}$C($\alpha $,$\gamma $)$^{16}$O reaction rate is crucial in determining the carbon-to-oxygen abundance ratio in stellar nucleosynthesis. Measuring this reaction’s cross section at stellar energies is challenging due to its extremely small value, approximately 10 -17 barn at E c.m. = 300 keV. To address this, R-matrix calculations are employed to extrapolate data to lower energies, requiring a comprehensive understanding of each contribution to the cross section. The dominant contributions to the cross section at stellar energies arise from electric dipole (E1) and electric quadrupole (E2) transitions to the ground state of 16 O, along with a significant cascade contribution. Traditionally, these contributions have been separated using the γ-ray angular distribution. In this work, we propose a novel technique using the energy distribution of the 16 O recoils at the focal plane. This method involves a neural network trained on detailed Monte Carlo simulations of the energy distribution of recoils transported through the recoil mass separator ERNA. This approach enables the simultaneous determination of all three contributions with errors around 10% in the energy range E c.m. = 1.0–2.2 MeV. In conclusion, by employing this new technique, we aim to significantly improve the accuracy of determining the cross section of the $^{12}$C($\alpha $,$\gamma $)$^{16}$O reaction at astrophysical energies.

Astrochemistry↗

DOE OSTI2022

Observation of a uniaxial ferroelectric smectic A phase

We report the observation of the smectic A F , a liquid crystal phase of the ferroelectric nematic realm. The smectic A F is a phase of small polar, rod-shaped molecules that form two-dimensional fluid layers spaced by approximately the mean molecular length. The phase is uniaxial, with the molecular director, the local average long-axis orientation, normal to the layer planes, and ferroelectric, with a spontaneous electric polarization parallel to the director. Polarization measurements indicate almost complete polar ordering of the ∼10 Debye longitudinal molecular dipoles, and hysteretic polarization reversal with a coercive field ∼2 × 10 5 V/m is observed. The SmAF phase appears upon cooling in two binary mixtures of partially fluorinated mesogens: 2N/DIO, exhibiting a nematic (N)–smectic Z A (SmZ A )–ferroelectric nematic (N F )–SmA F phase sequence, and 7N/DIO, exhibiting an N–SmZ A –SmA F phase sequence. The latter presents an opportunity to study a transition between two smectic phases having orthogonal systems of layers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗