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At least 1,099 records · Page 61

The millimeter-wave spectrum of the CaF radical (X(sup 2)Sigma(+))

The pure rotational spectrum of the CaF radical has been measured in the laboratory using millimeter/sub-mm direct absorption spectroscopy. Fourteen rotational transitions have been detected originating in the v = 0 mode of the species. Rotational lines of the vibrationally excited v = 1, 2, and 3 states have also been observed. Spin-rotation splittings, as well as hyperfine interactions arising from the nuclear spin of the fluorine atom, were resolved in the CaF spectra. Rotational, fine-structure, and in some cases, hyperfine parameters were determined for the various vibrational modes of the molecule from a nonlinear least-squares fit to the data, using a (sup 2)Sigma Hamiltonian, and are in agreement with past measurements. The newly measured rest frequencies for CaF, which are accurate to at least + or - 100 kHz, will enable astronomical searches to be conducted for the molecule in interstellar and circumstellar gas. Given the recent detection of AlF in IRC + 10216, metal fluoride species may be more abundant than previously thought.

Anderson, M. A.↗

Beam-spin asymmetry Σ for Σ – hyperon photoproduction off the neutron

We report a new measurement of the beam-spin asymmetry $\boldsymbol{\Sigma}$ for the $\vec{\gamma} n \rightarrow K^+\Sigma^-$ reaction using quasi-free neutrons in a liquid-deuterium target. The new dataset includes data at previously unmeasured photon energy and angular ranges, thereby providing new constraints on partial wave analyses used to extract properties of the excited nucleon states. The experimental data were obtained using the CEBAF Large Acceptance Spectrometer (CLAS), housed in Hall B of the Thomas Jefferson National Accelerator Facility (JLab). The CLAS detector measured reaction products from a liquid-deuterium target produced by an energy-tagged, linearly polarised photon beam with energies in the range 1.1 to 2.3 GeV. Predictions from an isobar model indicate strong sensitivity to $N(1720)3/2^+$, $\Delta(1900)1/2^-$, and $N(1895)1/2^-$, with the latter being a state not considered in previous photoproduction analyses. When our data are incorporated in the fits of partial-wave analyses, one observes significant changes in $\gamma$-$n$ couplings of the resonances which have small branching ratios to the $\pi N$ channel.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Many-body factorization and position–momentum equivalence of nuclear short-range correlations

While mean-field approximations, such as the nuclear shell model, provide a good description of many bulk nuclear properties, they fail to capture the important effects of nucleon–nucleon correlations such as the short-distance and high-momentum components of the nuclear many-body wave function1. Here, we study these components using the effective pair-based generalized contact formalism and ab initio quantum Monte Carlo calculations of nuclei from deuteron to 40 Ca. We observe a universal factorization of the many-body nuclear wave function at short distance into a strongly interacting pair and a weakly interacting residual system. The residual system distribution is consistent with that of an uncorrelated system, showing that short-distance correlation effects are predominantly embedded in two-body correlations. Spin- and isospin-dependent ‘nuclear contact terms’ are extracted in both coordinate and momentum space for different realistic nuclear potentials. The contact coefficient ratio between two different nuclei shows very little dependence on the nuclear interaction model. These findings thus allow extending the application of mean-field approximations to short-range correlated pair formation by showing that the relative abundance of short-range pairs in the nucleus is a long-range (that is, mean field) quantity that is insensitive to the short-distance nature of the nuclear force.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Isostructural Phase Transition of Fe 2 ⁢O 3 under Laser Shock Compression

We present in situ x-ray diffraction and velocity measurements of Fe 2⁢ O 3 under laser shock compression at pressures between 38–122 GPa. None of the high-pressure phases reported by static compression studies were observed. Instead, we observed an isostructural phase transition from 𝛼−Fe 2⁢ O 3 to a new 𝛼′−Fe 2 ⁢O 3 phase at a pressure of 50–62 GPa. The 𝛼′−Fe 2⁢ O 3 phase differs from 𝛼−Fe 2 ⁢O 3 by an 11% volume drop and a different unit cell compressibility. We further observed a two-wave structure in the velocity profile, which can be related to an intermediate regime where both 𝛼 and 𝛼′ phases coexist. Furthermore, density functional theory calculations with a Hubbard parameter indicate that the observed unit cell volume drop can be associated with a spin transition following a magnetic collapse.

36 MATERIALS SCIENCE↗

Planetary Radar Astronomy

Radar is a powerful technique that has furnished otherwise unavailable information about solar system bodies for three decades. The advantages of radar in planetary astronomy result from: (1) the observer's control of all the attributes of the coherent signal used to illuminate the target, especially the wave form's time/frequency modulation and polarization; (2) the ability of radar to resolve objects spatially via measurements of the distribution of echo power in time delay and Doppler frequency; (3) the pronounced degree to which delay-Doppler measurements constrain orbits and spin vectors; and (4) centimeter-to-meter wavelengths, which easily penetrate optically opaque planetary clouds and cometary comae, permit investigation of near-surface macrostructure and bulk density, and are sensitive to high concentrations of metal or, in certain situations, ice. Planetary radar astronomy has primarily involved observations with Earth-based radar telescopes, but also includes some experiments with a spaceborne transmitter or receiver. In addition to providing a wealth of information about the geological and dynamical properties of asteroids, comets, the inner planets, and natural satellites, radar experiments have established the scale of the solar system, have contributed significantly to the accuracy of planetary ephemerides, and have helped to constrain theories of gravitation. This review outlines radar astronomical techniques and describes principal observational results.

Ostro, Steven J.↗

Traveling-Wave Maser for 32 GHz

The figure depicts a traveling-wave ruby maser that has been designed (though not yet implemented in hardware) to serve as a low-noise amplifier for reception of weak radio signals in the frequency band of 31.8 to 32.3 GHz. The design offers significant improvements over previous designs of 32-GHz traveling-wave masers. In addition, relative to prior designs of 32-GHz amplifiers based on high-electron-mobility transistors, this design affords higher immunity to radio-frequency interference and lower equivalent input noise temperature. In addition to the basic frequency-band and low-noise requirements, the initial design problem included a requirement for capability of operation in a closed-cycle helium refrigerator at a temperature .4 K and a requirement that the design be mechanically simplified, relative to prior designs, in order to minimize the cost of fabrication and assembly. Previous attempts to build 32- GHz traveling-wave masers involved the use of metallic slow-wave structures comprising coupled transverse electromagnetic (TEM)-mode resonators that were subject to very tight tolerances and, hence, were expensive to fabricate and assemble. Impedance matching for coupling signals into and out of these earlier masers was very difficult. A key feature of the design is a slow-wave structure, the metallic portions of which would be mechanically relatively simple in that, unlike in prior slow-wave structures, there would be no internal metal steps, irises, or posts. The metallic portions of the slow-wave structure would consist only of two rectangular metal waveguide arms. The arms would contain sections filled with the active material (ruby) alternating with evanescent-wave sections. This structure would be transparent in both the signal-frequency band (the aforementioned range of 31.8 to 32.3 GHz) and the pump-frequency band (65.75 to 66.75 GHz), and would impose large slowing factors in both frequency bands. Resonant ferrite isolators would be placed in the evanescent-wave sections to provide reverse loss needed to suppress reverse propagation of power at the signal frequency. This design is expected to afford a large gain-bandwidth product at the signal frequency and efficient coupling of the pump power into the paramagnetic spin resonances of the ruby sections. The more efficiently the pump power could be thus coupled, the more efficiently it could be utilized and the heat load on the refrigerator correspondingly reduced.

Shell, James↗

From tensors to qubits

We discuss recent progress in Tensor Lattice Field Theory and economical, symmetry preserving, truncations suitable for quantum computations or simulations. We focus on spin and gauge models with continuous Abelian symmetries such as the Abelian Higgs model and emphasize noise-robust implementations of Gauss's law. We discuss recent progress concerning the comparison between field digitizations and character expansions, symmetry breaking in tensor language, wave-packet preparation and possible new implementations of Abelian models using Rydberg atoms.

Meurice, Yannick↗

Structural modulation and spin glassiness upon oxidation in oxygen storage material LnFeMnO 4+x for Ln = Y, Lu, and Yb

The mixed valence multiferroic LnFe 2+ Fe 3+ O 4 (where Ln = Y, Lu, and Yb) can reversibly uptake oxygen into its lattice, which is evidenced by a crystallographic phase transition along with the appearance of structural modulations. In this study, we show that the Mn-substituted version of this multiferroic can also be readily oxidized to LnFe 3+ Mn 3+ O 4.5 revealing similar oxygen storage behavior. Through neutron, electron, and synchrotron x-ray diffraction studies, we observe a structural modulation that we attribute to a displacement wave in the fully oxidized compound. This wave exhibits commensurability with a wavevector q = (-2/7, 1/7, 0). Bond valence summation analysis of plausible interstitial oxygen positions suggests that oxygen insertion likely occurs at the middle of the Fe/Mn–O bipyramid layers. The structural modulation of LnFeMnO 4.5 is two-dimensional, propagates along the ab-plane, and is highly symmetric as 12 identical modulation vectors are observed in the diffraction patterns. The nature of the lanthanide, Ln 3+ , does not seem to influence such modulations since we observe identical satellite reflections for all three samples of Ln = Y, Lu, and Yb. Both LnFeMnO 4 and LnFeMnO 4.5 display spin glassy behavior with 2D short-range magnetic ordering being observed in LnFeMnO 4 . Analysis of the neutron diffraction data reveals a correlation length of ~10 nm. Upon oxidation to LnFeMnO 4.5 , the short-range magnetic order is significantly suppressed.

36 MATERIALS SCIENCE↗

Hybridization of Bogoliubov Quasiparticles between Adjacent CuO 2 Layers in the Triple-Layer Cuprate Bi 2 Sr 2 Ca 2 Cu 3 O 10 + δ Studied by Angle-Resolved Photoemission Spectroscopy

Hybridization of Bogoliubov quasiparticles (BQPs) between the CuO 2 layers in the triple-layer cuprate high-temperature superconductor Bi 2 Sr 2 Cu 2 Cu 3 O 10+δ is studied by angle-resolved photoemission spectroscopy (ARPES). In the superconducting state, an anticrossing gap opens between the outer- and inner-BQP bands, which we attribute primarily to interlayer single-particle hopping with possible contributions from interlayer Cooper pairing. We find that the d-wave superconducting gap of both BQP bands smoothly develops with momentum without an abrupt jump in contrast to a previous ARPES study. Hybridization between the BQPs also gradually increases in going from the off nodal to the antinodal region, which is explained by the momentum dependence of the interlayer single-particle hopping. As possible mechanisms for the enhancement of the superconducting transition temperature, the hybridization between the BQPs as well as the combination of phonon modes of the triple CuO 2 layers and spin fluctuations represented by a four-well model are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Crystallization of polarons through charge and spin ordering transitions in 1T-TaS 2

The interaction of electrons with the lattice in metals can lead to reduction of their kinetic energy to the point where they may form heavy, dressed quasiparticles—polarons. Unfortunately, polaronic lattice distortions are difficult to distinguish from more conventional charge- and spin-ordering phenomena at low temperatures. Here we present a study of local symmetry breaking of the lattice structure on the picosecond timescale in the prototype layered dichalcogenide Mott insulator 1T-TaS 2 using X-ray pair-distribution function measurements. We clearly identify symmetry-breaking polaronic lattice distortions at temperatures well above the ordered phases, and record the evolution of broken symmetry states from 915 K to 15 K. The data imply that charge ordering is driven by polaron crystallization into a Wigner crystal-like state, rather than Fermi surface nesting or conventional electron-phonon coupling. At intermediate temperatures the local lattice distortions are found to be consistent with a quantum spin liquid state.

36 MATERIALS SCIENCE↗

Charge density modulation and defect ordering in the $Na_xMnBi_y$ magnetic semimetal

The I-Mn-V antiferromagnet, NaMnBi, develops a very large positive magnetoresistance (MR) up to 10 000% at 2 K and 9 T in crystals showing a semiconductor-to-metal transition (SMT). In the absence of an SMT, a modest (20%) MR is achieved. Here, we show that upon cooling below the magnetic transition, a spatial modulation appears giving rise to new Bragg peaks due to charge and defect ordering in a checkerboard pattern, with two kinds of modulation vectors, $q_1 = \left( \frac{2}{3}, 0, 1 \right)$ and $q_2 = \left( \frac{2}{3}, \frac{1}{3}, \frac {1}{2} \right)$. This constitutes a superlattice transition ($T_s$) that lowers the symmetry from the high-temperature centrosymmetric $P4/nmm$ to the noncentrosymmetric $P\overline{4}m2$. In crystals with a large MR, a close to room temperature $T_s$ is observed with $q_1$ appearing first, followed by $q_2$. In crystals with low MR, however, $T_s$ is much lower and only $q_1$ is observed. Finally, the charge modulation and spin fluctuations may both contribute to the enhancement of MR.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Traces of electron-phonon coupling in one-dimensional cuprates

Abstract The appearance of certain spectral features in one-dimensional (1D) cuprate materials has been attributed to a strong, extended attractive coupling between electrons. Here, using time-dependent density matrix renormalization group methods on a Hubbard-extended Holstein model, we show that extended electron-phonon ( e–ph ) coupling presents an obvious choice to produce such an attractive interaction that reproduces the observed spectral features and doping dependence seen in angle-resolved photoemission experiments: diminished 3 k F spectral weight, prominent spectral intensity of a holon-folding branch, and the correct holon band width. While extended e–ph coupling does not qualitatively alter the ground state of the 1D system compared to the Hubbard model, it quantitatively enhances the long-range superconducting correlations and suppresses spin correlations. Such an extended e–ph interaction may be an important missing ingredient in describing the physics of the structurally similar two-dimensional high-temperature superconducting layered cuprates, which may tip the balance between intertwined orders in favor of uniform d -wave superconductivity.

36 MATERIALS SCIENCE↗

Plasma jet effects on the ionospheric plasma

Heavy ion beams were injected into the ionospheric plasma (experiments ARCS 1 and ARCS 2). In ARCS 1, operation of a 25eV argon ion source, mounted on a plasma diagnostic payload, produced an accelerated electron population; broadband electric field turbulence; large, spin synchronized electric field perturbations; and depletions of thermal ions. In ARCS 2, the ion source was deployed upward along the local magnetic field direction away from the diagnostic payload, and observed effects are contained within several meters of the ion source. However, enhanced wave levels near the LHR frequency are observed at distances up to 1 km, as are the injected ions themselves. A measurement of the dominant wavelength of the enhanced waves is consistent with an inference based upon the accelerated electron population seen in ARCS 1. This electron population is not evident during ARCS 2.

Moore, T. E.↗

An Acoustic Charge Transport Imager for High Definition Television

This project, over its term, included funding to a variety of companies and organizations. In addition to Georgia Tech these included Florida Atlantic University with Dr. William E. Glenn as the P.I., Kodak with Mr. Mike Richardson as the P.I. and M.I.T./Polaroid with Dr. Richard Solomon as the P.I. The focus of the work conducted by these organizations was the development of camera hardware for High Definition Television (HDTV). The focus of the research at Georgia Tech was the development of new semiconductor technology to achieve a next generation solid state imager chip that would operate at a high frame rate (I 70 frames per second), operate at low light levels (via the use of avalanche photodiodes as the detector element) and contain 2 million pixels. The actual cost required to create this new semiconductor technology was probably at least 5 or 6 times the investment made under this program and hence we fell short of achieving this rather grand goal. We did, however, produce a number of spin-off technologies as a result of our efforts. These include, among others, improved avalanche photodiode structures, significant advancement of the state of understanding of ZnO/GaAs structures and significant contributions to the analysis of general GaAs semiconductor devices and the design of Surface Acoustic Wave resonator filters for wireless communication. More of these will be described in the report. The work conducted at the partner sites resulted in the development of 4 prototype HDTV cameras. The HDTV camera developed by Kodak uses the Kodak KAI-2091M high- definition monochrome image sensor. This progressively-scanned charge-coupled device (CCD) can operate at video frame rates and has 9 gm square pixels. The photosensitive area has a 16:9 aspect ratio and is consistent with the "Common Image Format" (CIF). It features an active image area of 1928 horizontal by 1084 vertical pixels and has a 55% fill factor. The camera is designed to operate in continuous mode with an output data rate of 5MHz, which gives a maximum frame rate of 4 frames per second. The MIT/Polaroid group developed two cameras under this program. The cameras have effectively four times the current video spatial resolution and at 60 frames per second are double the normal video frame rate.

Hunt, William D.↗

Mechanistic insight into the active centers of single/dual-atom Ni/Fe-based oxygen electrocatalysts

Single-atom catalysts with maximum metal utilization efficiency show great potential for sustainable catalytic applications and fundamental mechanistic studies. We here provide a convenient molecular tailoring strategy based on graphitic carbon nitride as support for the rational design of single-site and dual-site single-atom catalysts. Catalysts with single Fe sites exhibit impressive oxygen reduction reaction activity with a half-wave potential of 0.89 V vs. RHE. We find that the single Ni sites are favorable to promote the key structural reconstruction into bridging Ni-O-Fe bonds in dual-site NiFe SAC. Meanwhile, the newly formed Ni-O-Fe bonds create spin channels for electron transfer, resulting in a significant improvement of the oxygen evolution reaction activity with an overpotential of 270 mV at 10 mA cm –2 . We further reveal that the water oxidation reaction follows a dual-site pathway through the deprotonation of *OH at both Ni and Fe sites, leading to the formation of bridging O 2 atop the Ni-O-Fe sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Intertwined spin, charge, and pair correlations in the two-dimensional Hubbard model in the thermodynamic limit

Significance The high-temperature superconducting cuprates are governed by intertwined striped magnetic and charge orders, in addition to superconductivity. Remarkably similar behavior has also been seen in numerical calculations for the Hubbard model describing the copper–oxygen layers in these materials. Finite-cluster methods typically find that spin- and charge-stripe order dominates, while embedded quantum-cluster methods, which access the thermodynamic limit, often conclude that superconductivity does. Here, we report the observation of fluctuating spin and charge stripes in an embedded cluster calculation for the Hubbard model. This discovery demonstrates that striped states survive in the thermodynamic limit and allows us to study their influence on the model’s superconducting properties, where we find evidence for pair-density-wave correlations intertwined with the stripe correlations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

TEAMER: Electrically Engaged Undulation (EEL) System

The Electrically Engaged UnduLation (EEL) system is a buoyancy-driven submersible device for powering oceanographic instruments. Physically, EEL is a slender body whose flexible spine is made up of energy units interconnected by uniaxial hinges. Each unit consists of a pair of piezoelectric elements that converts the bending stress into electrical current to a battery charging circuit. An outer plastic skin forms a seal against water and allows for flexibility at hinge locations. At the top is a bluff body with electronics that holds a ballast for buoyancy adjustment. The bluff body is also responsible for creating fluid instabilities in its wake. When gliding through the water (mode 2), the spine will flex in response to the alternating vortices that shed from the head. This "lock-in" phenomenon occurs when the frequency at which vortices shed resonates with the EEL natural frequency, during which the efficient gaits were found in species of sea snake, eels, and fish. For active propulsion, a single motor can be placed at the first segment and provide the oscillatory input for propulsion similar to a dolphin's kick. Such anguilliform swimming is both efficient and nearly silent compared to a spinning propeller. Ultimately, mimicking bio-locomotion provides a viable path to a drag-reduced, self-propelled energy harvesting system for ocean monitoring.

16 TIDAL AND WAVE POWER↗

Quantum Chemical Treatment of Strongly Correlated Magnetic Systems Based on Heavy Elements. Final Report

The objective of this project over the years has been to develop novel quantum chemical methods and employ them to study the chemistry of systems containing actinides, and transactinides. We have focused on their electronic and spectroscopic properties, their reactivity and utilization as single molecule magnets. We have developed wave-function based methods that are optimal to treat strongly correlated systems, namely systems with many electronic configurations that are all important and should be treated on an equal foot. Moreover, relativistic effects have to be included in the model, with special focus on spin-orbit coupling. We have derived our theories and developed our codes and made them available to the community as parts of open source packages. We have modelled systems in collaboration with experimentalists in the program, so that we could address some of the questions that are relevant to this community. We have also worked in collaboration with people at Lawrence Livermore National Laboratories on a project on super-heavy atoms. We hope that our theoretical predictions will inspire novel experiments. We have trained about 10 students/postdocs during this period, which are now faculty, researchers at national laboratories and in companies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗