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At least 307 records · Page 17

Bond dissociation energy and electronic spectroscopy of Cr + (NH 3 ) and its isotopomers

The electronic spectra of Cr + (NH 3 ), Cr + (ND 3 ), and Cr + ( 15 NH 3 ) have been measured from 14 200 to 17 400 cm -1 using photodissociation spectroscopy. Transitions are predominantly observed from the 6 A 1 ground state, in which the Cr + has a 3$d$ 5 electronic configuration, to the $|tilde{B}$ 6 E ($Π$) state (3$d$ 4 4s). There is extensive vibronic structure in the spectrum due to a long progression in the Cr–N stretch and transitions to all six spin-orbit levels in the upper state. The spin-orbit splitting in the excited state is observed to be A so $'$ = 39 cm -1 . For the lowest spin-orbit level, the Cr–N stretching frequency in the excited state is 343 cm -1 , with an anharmonicity of 4.2 cm -1 . The 6 E ($Π$) origin is predicted to lie at T 0 = 14 697 cm -1 . The first peak observed is due to v$'$ = 1, so the observed photodissociation onset is thermodynamic rather than spectroscopic, giving D 0 (Cr + -NH 3 ) = 14 830 ± 100 cm -1 (177.4 ± 1.2 kJ/mol) and D 0 (Cr + –ND 3 ) = 15 040 ± 30 cm -1 (179.9 ± 0.4 kJ/mol). The 6 E ($Π$) state of Cr + (NH 3 ) is ~2740 cm -1 less strongly bound than the ground state, and the Cr–N bond length increases by 0.23 ± 0.03 Å upon electronic excitation. Calculations at the time-dependent density functional theory (M06) and equations of motion coupled cluster, with single and double excitations (EOM-CCSD) level fairly accurately predict the energy and vibrational frequency of the excited state. Multi-reference configuration interaction calculations show how the spin-orbit states of Cr + (NH 3 ) evolve into those of Cr + + NH 3 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Photoionization of the I 4d and valence orbitals of methyl iodide

Here, the photoabsorption and photoionization dynamics of the I 4d and valence orbitals in methyl iodide have been studied both experimentally and theoretically. Synchrotron radiation has been employed to measure the total ion yield in the vicinity of the I 4d ionization thresholds. The observed structure, due to excitations into Rydberg or valence states, has been assigned using transition energies and relative intensities computed with time-dependent density functional theory within the Tamm–Dancoff approximation. Photoelectron spectra, recorded with plane polarized radiation in two polarization geometries, have allowed the effect of autoionization on the valence electron angular distributions to be investigated. The spectra obtained at photon energies of 50.62 and 52.34 eV, coinciding respectively with the I 4d 5/2 → σ* and 4d 3/2 → σ* transitions, reveal, in addition to valence shell photoelectron bands, features not associated with simple photoionization of the parent molecule. High resolution photoelectron spectra of the I 4d main-lines display structure resulting from spin–orbit coupling and molecular field splitting. The binding energies of the five states contributing to the (I 4d) -1 ionization have been determined. The iodine (in CH 3 I) N 45 VV Auger spectrum has been measured and the observed structure has been assigned using the core hole binding energies derived in the present work together with established ionization energies of the doubly charged ion. The experimentally determined Auger electron angular distributions have been discussed in relation to the theoretical angular distribution parameter characterizing the spatial alignment of molecular axes in the (I 4d) -1 state.

74 ATOMIC AND MOLECULAR PHYSICS↗

Integration of Concentrating Solar Power with High Temperature Electrolysis for Hydrogen Production: Preprint

Hydrogen (H2) has been identified as a leading sustainable contender to replace fossil fuels in transportation and electricity generation. H2 production can be achieved by concentrating solar thermal power (CSP) systems collecting thermal energy from the sun to various chemical processes for fuel production. Fuel production via solar thermal chemical processes integrated with CSP uses the full spectrum of sunlight compared with photovoltaic power conversion and stores solar energy directly and efficiently [1]. The solar fuel production can be realized by thermochemical processes (e.g., water splitting for H2 production, carbon dioxide reduction, or methane reforming) or thermal electrochemical methods (e.g., integration with solid oxide electrolysis cell). Technology development for CSP-integrated solar fuel production requires broad technological bases from solar energy collection to chemical energy conversion. H2 generated from renewable sources can be an energy carrier for a carbon-free economy. Integrating CSP with high temperature electrolysis (HTE) using solid oxide electrolysis cells (SOEC) provides a renewable path for H2 generation. The CSP-HTE integration approach provides the benefit of thermal energy storage (TES) for continuous operation, improved capacity, and SOEC life. H2 gas has low energy density for transportation, pipeline networks are expensive, and H2 liquefaction is energy intensive. However, an alternative method for H2 distribution is to use carbon dioxide (CO2) capture and liquid hydrocarbon synthesis to convert solar energy into liquid fuels that are compatible with the existing fossil fuel infrastructure.

concentrating solar thermal power↗

The period structure of the ZZ Ceti variables

The current observational status of the period structure of ZZ Ceti stars is reviewed, and in particular those features which appear to be the most important for theory to explain, or which may be relevant to the directions of theoretical development are discussed. Mechanisms to explain the broad range of period structure are suggested. Multiple nonradial modes, probably corresponding to different radial overtones, may be simultaneously excited in each star. The excitation energy of individual stars is distributed among permitted modes by nonlinear resonant coupling. In addition, rotational splitting of the nonradial modes can produce closely spaced periods which results in modulation of the light curve. Amplitude/spectral complexity correlation results from the appearance in the power spectrum of harmonics and cross-frequencies which are the effects brought on by increasing nonlinearity of the pulsations.

Mcgraw, J. T.↗

Spectral representation of high-frequency Space Shuttle data

High frequency Space Shuttle liftoff data are treated by autoregressive (AR) and autoregressive-moving-average (ARMA) digital algorithms. These algorithms provide useful information on the spectral densities of the data. Further, they yield spectral models, which lend themeselves to incorporation into the concept of the random response spectrum. This concept yields a reasonably smooth power spectrum for the design of structural and mechanical systems when the available data bank is limited. Due to the nonstationary of the liftoff event, the pertinent data are split into three slices. Each of the slices is associated with a rather distinguished phase of the liftoff event, in which stationarity can be expected. The presented results are preliminary in nature; they aim to call attention to the availability of the discussed concepts and to the need to augment the Space Shuttle data bank as more flights are completed.

Spanos, P. D.↗

Random Tensor Networks with Non-trivial Links

Abstract Random tensor networks are a powerful toy model for understanding the entanglement structure of holographic quantum gravity. However, unlike holographic quantum gravity, their entanglement spectra are flat. It has therefore been argued that a better model consists of random tensor networks with link states that are not maximally entangled, i.e., have non-trivial spectra. In this work, we initiate a systematic study of the entanglement properties of these networks. We employ tools from free probability, random matrix theory, and one-shot quantum information theory to study random tensor networks with bounded and unbounded variation in link spectra, and in cases where a subsystem has one or multiple minimal cuts. If the link states have bounded spectral variation, the limiting entanglement spectrum of a subsystem with two minimal cuts can be expressed as a free product of the entanglement spectra of each cut, along with a Marchenko–Pastur distribution. For a class of states with unbounded spectral variation, analogous to semiclassical states in quantum gravity, we relate the limiting entanglement spectrum of a subsystem with two minimal cuts to the distribution of the minimal entanglement across the two cuts. In doing so, we draw connections to previous work on split transfer protocols, entanglement negativity in random tensor networks, and Euclidean path integrals in quantum gravity.

Physics↗

Manganese Binding Properties of Human Calprotectin under Conditions of High and Low Calcium: X-ray Crystallographic and Advanced Electron Paramagnetic Resonance Spectroscopic Analysis

The antimicrobial protein calprotectin (CP), a hetero-oligomer of the S100 family members S100A8 and S100A9, is the only identified mammalian Mn(II)-sequestering protein. Human CP uses Ca(II) ions to tune its Mn(II) affinity at a biologically unprecedented hexahistidine site that forms at the S100A8/S100A9 interface, and the molecular basis for this phenomenon requires elucidation. Here in this paper, we investigate the remarkable Mn(II) coordination chemistry of human CP using X-ray crystallography as well as continuous-wave (CW) and pulse electron paramagnetic resonance (EPR) spectroscopies. An X-ray crystallographic structure of Mn(II)-CP containing one Mn(II), two Ca(II), and two Na(I) ions per CP heterodimer is reported. The CW EPR spectrum of Ca(II)- and Mn(II)-bound CP prepared with a 10:0.9:1 Ca(II):Mn(II):CP ratio is characterized by an unusually low zero-field splitting of 485 MHz (E/D = 0.30) for the S = 5/2 Mn(II) ion, consistent with the high symmetry of the His6 binding site observed crystallographically. Results from electron spin–echo envelope modulation and electron–nuclear double resonance experiments reveal that the six Mn(II)-coordinating histidine residues of Ca(II)- and Mn(II)-bound CP are spectroscopically equivalent. The observed 15 N (I = 1/2) hyperfine couplings (A) arise from two distinct classes of nitrogen atoms: the coordinating ε-nitrogen of the imidazole ring of each histidine ligand (A = [3.45, 3.71, 5.91] MHz) and the distal δ-nitrogen (A = [0.11, 0.18, 0.42] MHz). In the absence of Ca(II), the binding affinity of CP for Mn(II) drops by two to three orders of magnitude and coincides with Mn(II) binding at the His6 site as well as other sites. This study demonstrates the role of Ca(II) in enabling high-affinity and specific binding of Mn(II) to the His 6 site of human calprotectin.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pure spin current injection of single-layer monochalcogenides

We compute the spectrum of pure spin current injection in ferroelectric single-layer SnS, SnSe, GeS, and GeSe. The formalism takes into account the coherent spin dynamics of optically excited conduction states split in energy by spin–orbit coupling. The velocity of the electron's spins is calculated as a function of incoming photon energy and angle of linearly polarized light within a full electronic band structure scheme using density functional theory. We find peak speeds of 520, 360, 270 and 370 Km s -1 for SnS, SnSe, GeS and GeSe, respectively which are an order of magnitude larger than those found in bulk semiconductors, e.g., GaAs and CdSe. Interestingly, the spin velocity is almost independent of the direction of polarization of light in a range of photon energies. Our results demonstrate that single-layer SnS, SnSe, GeS and GeSe are candidates to produce on demand spin-current in spintronics applications.

2D-monochalcogenides↗

Fisher for complements: extracting cosmology and neutrino mass from the counts-in-cells PDF

In this work, we comprehensively analyse the cosmology dependence of counts-in-cells statistics. Furthermore, we focus on the shape of the one-point probability distribution function (PDF) of the matter density field at mildly non-linear scales. Based on large-deviation statistics, we parametrize the cosmology dependence of the matter PDF in terms of the linear power spectrum, the growth factor, the spherical collapse dynamics, and the non-linear variance. We extend our formalism to include massive neutrinos, finding that the total matter PDF is highly sensitive to the total neutrino mass Mν and can disentangle it from the clustering amplitude σ 8 . Additionally, using more than a million PDFs extracted from the Quijote simulations, we determine the response of the matter PDF to changing parameters in the νΛCDM model and successfully cross-validate the theoretical model and the simulation measurements. We present the first νΛCDM Fisher forecast for the matter PDF at multiple scales and redshifts, and its combination with the matter power spectrum. We establish that the matter PDF and the matter power spectrum are highly complementary at mildly non-linear scales. The matter PDF is particularly powerful for constraining the matter density Ωm, clustering amplitude σ 8 and the total neutrino mass Mν. Adding the mildly non-linear matter PDF to the mildly non-linear matter power spectrum improves constraints on Ω m by a factor of 5 and σ 8 by a factor of 2 when considering the three lowest redshifts. In our joint analysis of the matter PDF and matter power spectrum at three redshifts, the total neutrino mass is constrained to better than 0.01 eV with a total volume of 6 (Gpc h -1 ) 3 . We discuss how density-split statistics can be used to translate those encouraging results for the matter PDF into realistic observables in galaxy surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Cross-phase-modulation-induced temporal reflection and waveguiding of optical pulses

Cross-phase modulation (XPM) is commonly viewed as a nonlinear process that chirps a probe pulse and modifies its spectrum when an intense pump pulse overlaps with it. Here we present an alternative view of XPM in which the pump pulse creates a moving refractive-index boundary that splits the probe pulse into two parts with distinct optical spectra through temporal reflection and refraction inside a dispersive nonlinear medium. The probe even undergoes a temporal version of total internal reflection for sufficiently intense pump pulses, a phenomenon that can be exploited for making temporal waveguides. In this paper we investigate the practical conditions under which XPM can be exploited for temporal reflection and waveguiding. The width and shape of pump pulses as well as the nature of medium dispersion at the pump and probe wavelength (normal versus anomalous) play important roles. A super-Gaussian shape of pump pulses is particularly helpful because of its relatively sharp edges. When the pump wavelength lies in the anomalous-dispersion regime, the pump pulse can form a soliton,whose unique properties can be exploited to advantage. We also discuss a potential application of XPM-induced temporal waveguides for compensating timing jitter.

36 MATERIALS SCIENCE↗

Three-Flavor Neutrino Oscillations with MINOS+

This dissertation presents the analysis of the last two years of data from the MINOS+ long-baseline neutrino oscillation experiment. The analysis explores the data above the first oscillation maximum for neutrinos in the standard three-flavor neutrino oscillation model, adding significantly more neutrino events and constraining the model with increased precision. The analysis of the high-energy region of the MINOS+ data set, where previously there has been limited study, can help constrain alternative models or possibly show evidence of new phenomena. The predecessor to MINOS+, the MINOS experiment, measured $\nu_\mu$ disappearance and $\nu_{e}$ appearance using Fermilab's NuMI $\nu_\mu$ beam from 2005 to 2012. During this period the neutrino beam's energy spectrum was focused to peak near the first oscillation maximum. In addition to measuring accelerator beam neutrinos, the MINOS Far Detector collected a sample of atmospheric neutrinos from 2003 to 2011. With the se two samples, MINOS measured the atmospheric mass splitting, $\Delta{m}^2_{32}$, at the 5\% level and the value of $\sin^2\theta_{23}$ at the 15\% level. The data also constrained the CP violating parameter $\delta_{\rm CP}$. The MINOS+ experiment exposed the MINOS detectors to a neutrino beam peaked at energies above the oscillation maximum from 2013 to 2016. With this higher energy neutrino beam, MINOS+ measures the shape of the $\nu_\mu$ survival probability away from the oscillation maximum with unprecedented precision. Measuring the shape of the oscillation probability as a function of neutrino energy is an essential test of the three-flavor oscillation model. At these higher energies where the standard oscillation probability decreases, the neutrino energy spectrum is sensitive to potential perturbations from mixing with additional sterile neutrinos or non-standard neutrino interactions. This analysis of the complete data set from MINOS+ finds no significant deviatio ns from the three-flavor oscillation probability in the ener! gy region of 4 to 10\,GeV covered by the neutrino beam. This provides increased confidence in the three-flavor model in this region and provides new constraints of the atmospheric oscillation parameters, $\Delta{m}^2_{32}$ and $\sin^2\theta_{23}$, by combining the MINOS and MINOS+ data sets. The hierarchy of the neutrino masses is related to the sign of $\Delta{m}^2_{32}$. When $\Delta{m}^2_{32} > 0$, the mass hierarchy is classified as normal. When $\Delta{m}^2_{32} < 0$, the mass hierarchy is classified as inverted. This analysis cannot rule out either of the mass hierarchies. For the normal mass hierarchy, the combined analysis measures $\lvert{\Delta{m}^2_{32}}\rvert = 2.41\pm 0.09 \times 10^{-3}\,{\mathrm{eV}^2}$ at 68\% C.L. and $\sin^2\theta_{23} = 0.42_{-0.06}^{+0.23}$ at 90\% C.L. For the inverted mass hierarchy, this analysis measures $\lvert{\Delta{m}^2_{32}}\rvert = 2.47_{-0.10}^{+0.08} \times 10^{-3}\,{\mathrm{eV}^2}$ at 68\% C.L. and $\sin^2\theta_{23} = 0.42_{ -0.06}^{+0.23}$ at 90\% C.L. In addition to the analysis and measurement of the atmospheric oscillation parameters using MINOS+, this work updates the constraint on $\delta_{\rm CP}$ from MINOS and performs an exploratory combination using $\nu_\mu$ disappearance data from the NOvA experiment. The NOvA experiment uses the NuMI beam in an off-axis strategy that results in a narrow flux of muon neutrinos at the first oscillation maximum and allows precision measurements of the three-flavor parameters. Since NOvA and MINOS+ shared the same neutrino beam, their data can be combined taking advantage of common beam related uncertainties. Combined, the data from the MINOS, MINOS+, and NOvA experiments precisely map $\nu_\mu$ oscillation probabilities using the same neutrino beam in a way that could not be attempted before.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Indirect searches of the degenerate MSSM

A degenerate sfermionic particle spectrum can escape constraints from flavor physics, and at the same time evade the limits from the direct searches if the degeneracy extends to the gaugino-higgsino sector. Inspired by this, we consider a scenario where all the soft terms have an approximately common mass scale at M SUSY , with splittings ≲O(10%). As a result, the third generation sfermions have large to maximal (left-right) mixing, the same being the case with charginos and some sectors of the neutralino mass matrix. We study this scenario in the light of discovery of the Higgs boson with mass ~ 125 GeV. We consider constraints from B-physics, the anomalous magnetic moment of the muon and the dark matter relic density. In this study, we find that a supersymmetric spectrum as light as 600 GeV could be consistent with all current data and also account for the observed anomalous magnetic moment of the muon within 2σ. The neutralino relic density is generally too small to saturate the measured cold dark matter relic density. Direct detection limits from XENON100 and LUX put severe constraints on this scenario which will be conclusively probed by XENONnT experiment

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Measuring 20-100 T B-fields using Zeeman splitting of sodium emission lines on a 500 kA pulsed power machine

We have shown that Zeeman splitting of the sodium (Na) D-lines at 5890 and 5896 Å can be used to measure the magnetic field (B-field) produced in high current pulsed power experiments. We have measured the B-field next to a return current conductor in a hybrid X-pinch experiment near a peak current of about 500 kA. Na is deposited on the conductor and then is desorbed and excited by radiation from the hybrid X-pinch. The D-line emission spectrum implies B-fields of about 20 T with a return current post of 4 mm diameter or up to 120 T with a return current wire of 0.455 mm diameter. These measurements were consistent or lower than the expected B-field, thereby showing that basic Zeeman splitting can be used to measure the B-field in a pulsed-power-driven high-energy-density (HED) plasma experiment. We hope to extend these measurement techniques using suitable ionized species to measurements within HED plasmas.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Symmetry and topology of noncentrosymmetric superconductors

We present a detailed analysis of the pairing symmetry and the order parameter topology in superconductors without centre of inversion. Strong spin–orbit coupling of electrons with the crystal lattice leads to a large splitting of the Bloch bands, which makes it necessary to use a multiband description of superconductivity. We identify stable superconducting states and derive the Bogoliubov–de Gennes Hamiltonian, which determines the spectrum of fermionic quasiparticles. To develop a topological classification of the superconducting states we introduce two different types of topological invariants, the Chern numbers and the Maurer–Cartan invariants, and apply them to three-dimensional noncentrosymmetric superconductors, both with and without time reversal symmetry breaking.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Recent Results from Daya Bay

The Daya Bay Reactor Neutrino Experiment was designed to measure θ{sub 1}3, the smallest mixing angle in the three-neutrino mixing framework, with unprecedented precision. The experiment consists of eight functionally identical detectors placed underground at different baselines from three pairs of nuclear reactors in South China. Since Dec. 2011, the experiment has been running stably for more than 4 years, and has collected the largest reactor anti-neutrino sample to date. Daya Bay greatly improved the precision on θ{sub 1}3 and made an independent measurement of the effective mass splitting in the electron antineutrino disappearance channel. Daya Bay also performed a number of other precise measurements, such as a high-statistics determination of the absolute reactor antineutrino flux and spectrum, as well as a search for sterile neutrino mixing, among others. The most recent results from Daya Bay are discussed in this paper, as well as the current status and future prospects of the experiment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

IUE spectrum of the IO torus - Identification of the 5S2-3P2,1 transition of S III

A spectrum of a much higher quality than previously available has been obtained which shows emission features arising from S(+), S(++), S(+++), and an upper limit for O(++). The well-defined splitting of the 1729 A feature is seen as confirming its tentative identification as semiforbidden S III 5S2(0)-3P2,1. The lower contamination of S III 1199 A by H I 1216 A than in most previous IUE spectra of the Io torus makes possible an estimate of the S III 1729 A collision strength. The variation of these features with temperature and their possible presence in spectra of nebulae are discussed.

Moos, H. W.↗

The Solar Disk Sextant - Monitoring the size and shape of the sun

The Solar Disk Sextant (SDS) is a space instrument whose objective is to measure the solar diameter, at different orientations, as a function of time. Results would include the solar oblateness, the oscillation spectrum for use in helioseismology, and the rate of the secular variation of the solar diameter. The required instrumentation precision (a few milliarcsec) is attained by means of an objective beam splitting wedge which produces multiples solar images through consecutive reflections. In order to test the SDS concept a balloonborne version of the instrument has been fabricated and flown on three occasions. Preliminary results of the May 1990 flight are presented.

Sofia, Sabatino↗

Detection of elliptical polarization and mode splitting in discrete Schumann resonance excitations

Elliptical polarization and mode splitting have been detected in the magnetic component of discrete, well defined Schumann resonance excitations. These ELF excitations, which are large electromagnetic transients of approximately 1 s duration, are called Q-bursts and typically occur every few minutes. They are believed to be the signature of the impulsive excitation of the earth-ionosphere cavity by ultra-large lightning currents. In this paper the magnetic polarization and spectral characteristics of four large Q-bursts are examined in detail using a new analysis technique. Two events display right-hand polarization and two display left-hand polarization. The theoretical polarization properties of the central and side multiplets of the Schumann resonances are used to define a local orthogonal coordinate system in the measurement frame in which these components may be separated. Maximum entropy spectrums computed separately for what are identified to be the central and side multiplets in this coordinate system show distinctly different eigenfrequencies for the lowest mode near 7.5 Hz. For the limited number of cases examined the magnitude of the line splitting detected using this technique is roughly 1.4-1.8 Hz, larger by nearly a factor of two than theoretical or observed values of the splitting previously reported. The frequencies of the side multiplets may lie either above or below the frequency of the central multiplet.

Sentman, D. D.↗