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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 OSTI2015

Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study

The solvent dynamics around fluorinated acetonitrile is characterized by 2-dimensional infrared spectroscopy and atomistic simulations. The lineshape of the linear infrared spectrum is better captured by semiempirical (density functional tight binding) mixed quantum mechanical/molecular mechanics simulations, whereas force field simulations with multipolar interactions yield lineshapes that are significantly too narrow. For the solvent dynamics, a relatively slow time scale of 2 ps is found from the experiments and supported by the mixed quantum mechanical/molecular mechanics simulations. With multipolar force fields fitted to the available thermodynamical data, the time scale is considerably faster—on the 0.5 ps time scale. The simulations provide evidence for a well established CF–HOH hydrogen bond (population of 25%) which is found from the radial distribution function g(r) from both, force field and quantum mechanics/molecular mechanics simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Searches for large-scale anisotropy in the arrival directions of cosmic rays detected above energy of 10{sup 19} eV at the Pierre Auger observatory and the telescope array

Spherical harmonic moments are well-suited for capturing anisotropy at any scale in the flux of cosmic rays. An unambiguous measurement of the full set of spherical harmonic coefficients requires full-sky coverage. This can be achieved by combining data from observatories located in both the northern and southern hemispheres. To this end, a joint analysis using data recorded at the Telescope Array and the Pierre Auger Observatory above 10{sup 19} eV is presented in this work. The resulting multipolar expansion of the flux of cosmic rays allows us to perform a series of anisotropy searches, and in particular to report on the angular power spectrum of cosmic rays above 10{sup 19} eV. No significant deviation from isotropic expectations is found throughout the analyses performed. Upper limits on the amplitudes of the dipole and quadrupole moments are derived as a function of the direction in the sky, varying between 7% and 13% for the dipole and between 7% and 10% for a symmetric quadrupole.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Local properties of the large-scale peaks of the CMB temperature

In the present work, we study the largest structures of the CMB temperature measured by Planck in terms of the most prominent peaks on the sky, which, in particular, are located in the southern galactic hemisphere. Besides these large-scale features, the well-known Cold Spot anomaly is included in the analysis. All these peaks would contribute significantly to some of the CMB large-scale anomalies, as the parity and hemispherical asymmetries, the dipole modulation, the alignment between the quadrupole and the octopole, or in the case of the Cold Spot, to the non-Gaussianity of the field. The analysis of the peaks is performed by using their multipolar profiles, which characterize the local shape of the peaks in terms of the discrete Fourier transform of the azimuthal angle. In order to quantify the local anisotropy of the peaks, the distribution of the phases of the multipolar profiles is studied by using the Rayleigh random walk methodology. Finally, a direct analysis of the 2-dimensional field around the peaks is performed in order to take into account the effect of the galactic mask. The results of the analysis conclude that, once the peak amplitude and its first and second order derivatives at the centre are conditioned, the rest of the field is compatible with the standard model. In particular, it is observed that the Cold Spot anomaly is caused by the large value of curvature at the centre.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Fracton superfluid hydrodynamics

We examine the hydrodynamics of systems with spontaneously broken multipolar symmetries using a systematic effective field theory. We focus on the simplest nontrivial setting: a system with charge and dipole symmetry, but without momentum conservation. When no symmetries are broken, our formalism reproduces the quartic subdiffusion (ω ~ –ik 4 ) characteristic of “fracton hydrodynamics” with conserved dipole moment. Our formalism also captures spontaneous breaking of charge and/or dipole symmetry. When charge symmetry is spontaneously broken, the hydrodynamic modes are quadratically propagating and quartically relaxing (ω ~ ±k 2 – ik 4 ). When the dipole symmetry is spontaneously broken but the charge symmetry is preserved, then we find quadratically relaxing (diffusive) transverse modes, plus another mode which, depending on parameters, may be either purely diffusive (ω ~ – ik 2 ) or quadratically propagating and quadratically relaxing (ω ~ ± k 2 – ik 2 ). Furthermore, our work provides concrete predictions that may be tested in near-term cold atom experiments, and also lays out a general framework that may be applied to study systems with spontaneously broken multipolar symmetries.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

High-Resolution {alpha} and Electron Spectroscopy of {sup 249}{sub 98}Cf

alpha-particle spectra of Cf-249 have been measured with a double-focusing magnetic spectrometer and with passivated implanted planar silicon (PIPS) detectors. The conversion-electron spectra of Cf-249 have been measured with a cooled Si(Li) detector and with a room-temperature PIPS detector. Precise energies of a groups in the decay of Cf-249 have been measured with respect to the known energy of Cf-250. In addition, alpha-electron, alpha-gamma, and gamma-gamma coincidence measurements were also performed to determine the spin-parity of the previously known 643.64-keV level. From electron intensities, conversion coefficients of transitions in the daughter Cm-245 have been determined. The measured L-3 conversion coefficients of the 333.4- and 388.2-keV transitions are found to be in agreement with the theoretical conversion coefficients for pure E1 multipolarity. On the other hand, the K, L-1 + L-2, M, and N conversion coefficients are approximately twice the theoretical values for pure E1 transitions. These measurements indicate anomalous E1 conversion coefficients for the 333.4- and 388.2-keV transitions, as has been pointed out in earlier measurements. The measured conversion coefficient of the 255.5-keV transition gives an M1 multipolarity for this transition which establishes a spin-parity of 7/2(-) and the 7/2(-)[743] single-particle assignment to the 643.64-keV level.

Ahmad, I.↗
DOE OSTI2014

Nuclear forward scattering of synchrotron radiation by 99 Ru

In this study, we measured nuclear forward scattering spectra utilizing the 99 Ru transition, 89.571(3) keV, with a notably mixed E2/M1 multipolarity. The extension of the standard evaluation routines to include mixed multipolarity allows us to extract electric and magnetic hyperfine interactions from 99 Ru-containing compounds. This paves the way for several other high-energy Mössbauer transitions, E~90 keV. Lastly, the high energy of such transitions allows for operando nuclear forward scattering studies in real devices.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Bright magnetic dipole radiation from two-dimensional lead-halide perovskites

Light-matter interactions in semiconductors are uniformly treated within the electric dipole approximation; multipolar interactions are considered “forbidden.” We experimentally demonstrate that this approximation inadequately describes light emission in two-dimensional (2D) hybrid organic-inorganic perovskites (HOIPs), solution processable semiconductors with promising optoelectronic properties. By exploiting the highly oriented crystal structure, we use energy-momentum spectroscopies to demonstrate that an exciton-like sideband in 2D HOIPs exhibits a multipolar radiation pattern with highly directed emission. Electromagnetic and quantum-mechanical analyses indicate that this emission originates from an out-of-plane magnetic dipole transition arising from the 2D character of electronic states. Symmetry arguments and temperature-dependent measurements suggest a dynamic symmetry-breaking mechanism that is active over a broad temperature range. These results challenge the paradigm of electric dipole–dominated light-matter interactions in optoelectronic materials, provide new perspectives on the origins of unexpected sideband emission in HOIPs, and tease the possibility of metamaterial-like scattering phenomena at the quantum-mechanical level.

42 ENGINEERING↗
DOE OSTI2021

Linear polarization–direction correlations in $\gamma $-ray scattering experiments

Scattering measurements with incident linearly polarized γ rays provide information on spins, parities, and γ-ray multipolarity mixing coefficients, and, therefore, on the nuclear matrix elements involved in the transitions. Here, we present the general formalism for analyzing the observed angular correlations. The expressions are used to compute three-dimensional radiation patterns, which are important tools for optimizing experimental setups. Frequently, γ-ray transitions can proceed via two multipolarities that mix coherently. In such cases, the relative phases of the nuclear matrix elements are important when comparing results from different measurements. We discuss different phase conventions that have been used in the literature and present their relationships. Finally, we propose a basic experimental geometry consisting of detectors located at four different spatial locations. For this geometry, we present the measured anisotropies of the emitted γ rays in graphical format as an aid in the data analysis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Hydrodynamics of higher-rank gauge theories

We extend recent work on hydrodynamics with global multipolar symmetries — known as “fracton hydrodynamics” — to systems in which the multipolar symmetries are gauged. We refer to the latter as “fracton magnetohydrodynamics”, in analogy to conventional magnetohydrodynamics (MHD), which governs systems with gauged charge conservation. We show that fracton MHD arises naturally from higher-rank Maxwell’s equations and in systems with one-form symmetries obeying certain constraints; while we focus on “minimal” higher-rank generalizations of MHD that realize diffusion, our methods may also be used to identify other, more exotic hydrodynamic theories (e.g., with magnetic subdiffusion). In contrast to semi-microscopic derivations of MHD, our approach elucidates the origin of the hydrodynamic modes by identifying the corresponding higher-form symmetries. Being rooted in symmetries, the hydrodynamic modes may persist even when the semi-microscopic equations no longer provide an accurate description of the system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Representation of the QM Subsystem for Long-Range Electrostatic Interaction in Non-Periodic Ab Initio QM/MM Calculations

In QM/MM calculations, it is essential to handle electrostatic interactions between the QM and MM subsystems accurately and efficiently. To achieve maximal efficiency, it is convenient to adopt a hybrid scheme, where the QM electron density is used explicitly in the evaluation of short-range QM/MM electrostatic interactions, while a multipolar representation for the QM electron density is employed to account for the long-range QM/MM electrostatic interactions. In order to avoid energy discontinuity at the cutoffs, which separate the short- and long-range QM/MM electrostatic interactions, a switching function should be utilized to ensure a smooth potential energy surface. In this study, we benchmarked the accuracy of such hybrid embedding schemes for QM/MM electrostatic interactions using different multipolar representations, switching functions and cutoff distances. For test systems (neutral and anionic oxyluciferin in MM (aqueous and enzyme) environments), the best accuracy was acquired with a combination of QM electrostatic potential (ESP) charges and dipoles and two switching functions (long-range electrostatic corrections (LREC) and Switch) in the treatment of long-range QM/MM electrostatics. It allowed us to apply a 10Å distance cutoff and still obtain QM/MM electrostatics/polarization energies within 0.1 kcal/mol and time-dependent density functional theory (TDDFT)/MM vertical excitation energies within 10−3 eV from theoretical reference values.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Atlas of Nuclear Isomers

We present an atlas of nuclear isomers containing the experimental data for the isomers with a half-life ≥ 10 ns together with their various properties such as excitation-energy, half-life, decay mode(s), spin-parity, energies and multipolarities of emitted gamma transitions, etc. The ENSDF database complemented by the XUNDL database has been extensively used in extracting the relevant data. Recent literature from primary nuclear physics journals, and the NSR bibliographic database have been searched to ensure that the compiled data Table is as complete and current as possible. The data from NUBASE-12 have also been checked for completeness, but as far as possible original references have been cited. Many interesting systematic features of nuclear isomers emerge, some of them new; these are discussed and presented in various graphs and figures. The cutoff date for the extraction of data from the literature is August 15, 2015.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Nuclear Data Sheets for A = 224

The experimental nuclear spectroscopic data for ten experimentally known nuclides of mass number 224 (Bi, Po, At, Rn, Fr, Ra, Ac, Th, Pa, U) have been evaluated and presented together with the Adopted properties for levels and γ rays. For {sup 224}Bi, {sup 224}Po, {sup 224}At, {sup 224}Rn, {sup 224}Fr, {sup 224}Pa and {sup 224}U nuclei, only the ground–state information is known. Half–lives of ground states of 224Bi and 224Po have not yet been measured. The decay of {sup 224}Rn to {sup 224}Fr has been studied, but no decay scheme has been proposed. The decay of {sup 224}Ac to {sup 224}Ra is reported only in an abstract style conference proceedings. For a definite Jπ assignment for ground state of {sup 224}Ac, a detailed study of this decay may be helpful. In the decay of {sup 228}Pa to {sup 224}Ac, authors of 1994Ah03 state that the lowest state observed in their work may not be the ground state. Thus an extensive study of {sup 228}Pa α decay, and studies involving nuclear reactions are warranted since the level scheme of {sup 224}Ac presented in this evaluation is considered as incomplete due to the lack of confirmed information about multipolarities, mixing ratios and other spectroscopic details. Three new nuclides {sup 224}Bi, {sup 224}Po, and {sup 224}At are added in this revision, together with new in–beam γ–ray and Coulomb excitation data for {sup 224}Ra. Although, not much new experimental data have appeared since the previous evaluation (1997Ar05), extensive modifications have been made in almost all the datasets. This work supersedes the information presented in the previous NDS evaluations of A = 224: 1997Ar05, 1986Ma45 and 1976El05.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Nuclear Data Sheets for A = 227

The evaluated spectroscopic data are presented for ten known nuclides of mass 227 (Po, At, Rn, Fr, Ra, Ac, Th, Pa, U, Np). For {sup 227}Po, {sup 227}At, {sup 227}Rn, {sup 227}Pa, {sup 227}U and {sup 227}Np nuclei, only the ground-state information is available. Their decay characteristics are mostly unknown. Levels in {sup 227}Fr are known only from the decay of {sup 227}Rn to {sup 227}Fr. This decay scheme at present cannot be normalized to deduce γ intensities per 100 decays due to lack of knowledge about multipolarities of many low-energy transitions. The levels in {sup 227}Ra, {sup 227}Ac and {sup 227}Th are known from several decays and reactions, including particle-transfer data for {sup 227}Ra and {sup 227}Ac. The decay scheme of {sup 227}Ra to {sup 227}Ac was last studied in 1971 using small Ge detectors. Improved γ-ray intensity data need to be obtained with a better γ-detection system. The datasets for {sup 227}Ac have undergone extensive revisions, including detailed data for 231Pa α decay from 1986BaYK report, and single-proton transfer data from 1986MaYU thesis. High-spin (J>13/2 or so) structures are known only for 227Th. Level lifetime data are quite scarce for all the nuclides in this mass chain, thus limiting the knowledge of reduced transition probabilities. Band structures for {sup 227}Fr, {sup 227}Ra, {sup 227}Ac and {sup 227}Th are known in detail, together with evidence of weak octupole deformation and consequent parity-doublet structures. This evaluation was carried out as part of a joint IAEA-ICTP workshop for Nuclear Structure and Decay Data, organized and hosted by the IAEA, Vienna and ICTP, Trieste, March 24–28, 2014. The evaluation work was coordinated by B. Singh (McMaster). This work supersedes previous A=227 evaluation (2001Br31) published by E. Browne which covered literature before May 2001.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Substrate matters: Coupled phonon modes of a spherical particle on a substrate probed with EELS

Using vibrational electron energy loss spectroscopy (vib-EELS) combined with numerical modeling, we investigate the physical mechanisms governing the phonon coupling between a spherical particle sustaining multipolar surface phonon modes and an underlying thin film. Depending upon their dielectric composition, a variety of hybrid phonon modes arise in the EEL spectrum due to the interaction between polarization charges in the particle and film. Mirror charge effects and phonon mode hybridization are the active mechanisms acting on dielectric and metallic-type films, respectively. Furthermore, processes beyond dipole-dipole interactions are required to describe the sphere-film coupling.

Localized surface phonon response↗
DOE OSTI2014

Systematic study of iodine nuclei in A∼125 mass region

Excited states of {sup 127}I were populated via {sup 124}Sn({sup 7}Li,{sup 4}nγ){sup 127}I fusion-evaporation reaction at beam energy of 33 MeV. Multipolarities of several transitions were determined and spins of corresponding states have been confirmed. The band-head spin and parity of an already reported band at 2901.2 keV has been confirmed. Based on the observed characteristic features and by comparing with the systematics of odd mass iodine nuclei, a πg{sub 7/2}⊗νh{sub 11/2}{sup 2} configuration has been proposed for this band. The experimental B(M1)/B(E2) values for πg{sub 7/2} band were compared with the theoretical results of semi classical model of Frauendorf and Donau and found in well agreement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Excitation of {sup 111m}Cd, {sup 113m}In, and {sup 115m}In isomeric states by photons of energy up to 8 MeV

Experimental results on the excitation of isomeric nuclear states in the reactions {sup 111}Cd(γ, γ′){sup 111m}Cd, {sup 113}In(γ, γ′){sup 113m}In, and {sup 115}In(γ, γ′){sup 115m}In studied by the activation method at photon energies of up to 8 MeV are presented. The respective experiments were performed at the LUE-8 linear electron accelerator of the Institute for Nuclear Research (INR, Moscow). A method for calculating cross sections per equivalent photon was developed with the aid of a simulation on the basis of the GEANT-4 code. The data obtained in this way are discussed from the point of view of the possibility of studying collective nuclear excitations of various multipolarity near the threshold.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Investigations of Properties of {sup 89}Y Levels with Reactor Fast Neutrons

By employing a beam of reactor fast neutrons, the spectrum of gamma rays up to an energy of 4.6MeV and their angular distributions with respect to the neutron-beamaxis aremeasured in the reaction {sup 89}Y(n, n'γ). The multipolarities and multipole-mixture parameters for 34 gamma transitions and the spin–parities J{sup π} of states excited in this reaction are determined. The lifetimes of the lowest 32 levels of 89Y were measured by the Doppler shift attenuation method, and the reduced probabilities for the respective gamma transitions were calculated. Levels of the K{sup π} = +5/2{sup +} and K{sup π} = −7/2{sup +} bands associated with, respectively, prolate and oblate deformation shapes are found in {sup 89}Y at low excitation energies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Open and Close-Packed, Shape-Engineered Polygonal Nanoparticle Metamolecules with Tailorable Fano Resonances

In this study, a top-down lithographic patterning and deposition process is reported for producing nanoparticles (NPs) with well-defined sizes, shapes, and compositions that are often not accessible by wet-chemical synthetic methods. These NPs are ligated and harvested from the substrate surface to prepare colloidal NP dispersions. Using a template-assisted assembly technique, fabricated NPs are driven by capillary forces to assemble into size- and shape-engineered templates and organize into open or close-packed multi-NP structures or NP metamolecules. The sizes and shapes of the NPs and of the templates control the NP number, coordination, interparticle gap size, disorder, and location of defects such as voids in the NP metamolecules. The plasmonic resonances of polygonal-shaped Au NPs are exploited to correlate the structure and optical properties of assembled NP metamolecules. Comparing open and close-packed architectures highlights that introduction of a center NP to form close-packed assemblies supports collective interactions, altering magnetic optical modes and multipolar interactions in Fano resonances. Decreasing the distance between NPs strengthens the plasmonic coupling, and the structural symmetries of the NP metamolecules determine the orientation-dependent scattering response.

77 NANOSCIENCE AND NANOTECHNOLOGY↗