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At least 1,153 records · Page 64

Uncovering the linear boron environment in Na 3 BP 2 through solid-state 11 B NMR spectroscopy

Boron-based compounds exhibit a wide range of structural diversity, with potential applications spanning organic and inorganic chemistry. Herein, we focus on the characterization of the linear boron-phosphorus unit P═B═P in Na 3 BP 2 using solid-state nuclear magnetic resonance (ssNMR) spectroscopy and density functional theory (DFT) calculations. High-resolution 11 B ssNMR spectra were recorded at two fields, and key parameters such as chemical shift anisotropy (CSA), quadrupolar coupling constants (C Q ), and electric field gradient (EFG) tensors were extracted. The 11 B NMR results revealed a distinct chemical environment for the two-coordinate boron atom, with a CSA span (Ω) of 280 ppm and a C Q of 3.0 MHz. These values were further validated through periodic plane-wave DFT calculations, which showed good agreement with experimental results. The obtained spectral parameters are compared to other linear boron units, such as the BO 2 motif, providing a broader context for understanding boron coordination in inorganic compounds. This work expands the body of NMR knowledge on boron-containing materials, particularly for linear boron motifs. The findings contribute to the growing field of boron chemistry and its potential applications in advanced materials.

Porter, Andrew P. [Ames Laboratory (AMES), Ames, I↗

Facilitating Heliophysics Research by the Virtual Wave Observatory (VWO) Context Data Search Capability

Wave phenomena, ranging from freely propagating electromagnetic radiation (e.g., solar radio bursts, AKR) to plasma wave modes trapped in various plasma regimes (e.g., whistlers, Langmuir and ULF waves) and atmospheric gravity waves, are ubiquitous in the heliosphere. Because waves can propagate, wave data obtained at a given observing location may pertain to wave oscillations generated locally or from afar. While wave data analysis requires knowledge of wave characteristics specific to different wave modes, the search for appropriate data for heliophysics wave studies also requires knowledge of wave phenomena. In addition to deciding whether the interested wave activity is electrostatic (i.e., locally trapped) or electromagnetic (with propagation over distances), considerations must be given to the dependence of the wave activity on observer's location or viewing geometry, propagating frequency range and whether the wave data were acquired by passive or active observations. Occurances of natural wave emissions i the magnetosphere (e.g, auroral kilometric radiation) are often dependent also on the state (e.e., context) of the magnetosphere that varies with the changing solar wind, IMF and geomagnetic conditions. Fung and Shao [2008] showed recently that magnetospheric state can be specified by a set of suitably time-shifted solar wind, IMF and the multi-scale geomagnetic response parameters. These parameters form a magnetospheric state vector that provides the basis for searching magnetospheric wave data by their context conditions. Using the IMAGE Radio Plasma Imager (RPI) data and the NASA Magnetospheric State Query System (MSOS) [Fung, 2004], this presentation demonstrates the VWO context data search capability under development and solicits feedback from the Heliophysics research community for improvements.

Fung, Shing F.↗

LRAT: Lightning Radiative Transfer

In this report, we extend to cloud physics the work done for single and multiple scattering of electromagnetic waves. We consider the scattering of light, visible or infrared, by a spherical cloud represented by a statistically homogeneous ensemble of configurations of N identical spherical water droplets whose centers are uniformly distributed in its volume V. The ensemble is specified by the average number rho of scatterers in unit volume and by rho f(R) with f(R) as the distribution function for separations R of pairs. The incident light, vector-phi(sub 0) a plane electromagnetic wave with harmonic time dependence, is from outside the cloud. The propagation parameter kappa(sub 0) and the index of refraction eta(sub 0) determine physically the medium outside the distribution of scatterers. We solve the interior problem separately to obtain the bulk parameters for the scatterer equivalent to the ensemble of spherical droplets. With the interior solution or the equivalent medium approach, the multiple scattering problem is reduced to that of an equivalent single scatterer excited from outside illumination. A dispersion relation which determines the bulk propagation parameter K and the bulk index of refraction eta of the cloud is given in terms of the vector equivalent scattering amplitude vector-G and the dyadic scattering amplitude tilde-g of the single object in isolation. Based on this transfer model we will have the ability to consider clouds composed of inhomogeneous distribution of water and/or ice particles and we will be able to take into account particle size distributions within the cloud. We will also be able to study the effects of cloud composition (i.e., particle shape, size, composition, orientation, location) on the polarization of the single or the multiple scattered waves. Finally, this study will provide a new starting point for studying the problem of lightning radiative transfer.

Phanord, Dieudonne D.↗

Investigations of Remote Plasma Irregularites by Radio Sounding: Applications of the Radio Plasma Imager on IMAGE

The Radio Plasma Imager (RPI) on the Imager for Magnetopause-to-Aurora Global Exploration (IMAGE) mission operates like a radar by transmitting and receiving coherent electromagnetic pulses. Long-range echoes of electromagnetic sounder waves are reflected at remote plasma cutoffs. Thus, analyses of RPI observations will yield the plasma parameters and distances to the remote reflection points. These analyses assume that the reflecting plasma surfaces are cold and are sufficiently smooth that they effectively behave as plane mirrors to the incoming sounder waves, i.e., that geometric optics can be used. The RPI will employ pulse compression and spectral integration techniques, perfected in ground-based ionospheric digital sounders, in order to enhance the signal-to-noise ratio in long-range magnetospheric sounding. When plasma irregularities exist in the remote magnetospheric plasmas that are being probed by the sounder waves, echo signatures may become complicated. Ionospheric sounding experience indicates that while topside sounding echo strengths can actually be enhanced by the presence of irregularities, ground-based sounding indicates that coherent detection techniques can still be employed. In this paper we investigate the plasma conditions that will allow coherent signals to be detected by the RPI and the signatures to be expected, such as scattering and plasma resonances, in the presence of multi-scale irregularities, may possibly have on RPI signals. Sounding of irregular plasma structures in the plasmasphere, plasmapause and magnetopause are also discussed.

Fung, Shing F.↗

Scale Analysis of Moist Thermodynamics in a Simple Model and the Relationship between Moisture Modes and Gravity Waves

Abstract Observations and theory of convectively coupled equatorial waves suggest that they can be categorized into two distinct groups. Moisture modes are waves whose thermodynamics are governed by moisture fluctuations. The thermodynamics of the gravity wave group, on the other hand, are rooted in buoyancy (temperature) fluctuations. On the basis of scale analysis, it is found that a simple nondimensional parameter—akin to the Rossby number—can explain the processes that lead to the existence of these two groups. This parameter, defined as Nmode, indicates that moisture modes arise when anomalous convection lasts sufficiently long so that dry gravity waves eliminate the temperature anomalies in the convective region, satisfying weak temperature gradient (WTG) balance. This process causes moisture anomalies to dominate the distribution of moist enthalpy (or moist static energy), and hence the evolution of the wave. Conversely, convectively coupled gravity waves arise when anomalous convection eliminates the moisture anomalies more rapidly than dry gravity waves can adjust the troposphere toward WTG balance, causing temperature to govern the moist enthalpy distribution and evolution. Spectral analysis of reanalysis data indicates that slowly propagating waves (cp ~ 3 m s−1) are likely to be moisture modes while fast waves (cp ~ 30 m s−1) exhibit gravity wave behavior, with “mixed moisture–gravity” waves existing in between. While these findings are obtained from a highly idealized framework, it is hypothesized that they can be extended to understand simulations of convectively coupled waves in GCMs and the thermodynamics of more complex phenomena.

54 ENVIRONMENTAL SCIENCES↗

Scale Analysis of Moist Thermodynamics in a Simple Model and the Relationship Between Moisture Modes and Gravity Waves

Observations and theory of convectively-coupled equatorial waves suggest that they can be categorized into two distinct groups. Moisture modes are waves whose thermodynamics are governed by moisture fluctuations. The thermodynamics of the gravity wave group, on the other hand, are rooted in buoyancy (temperature) fluctuations. On the basis of scale analysis it is found that a simple nondimensional parameter –akin to the Rossby number– can explain the processes that lead to the existence of these two groups. This parameter, defined as Nmode, indicates that moisture modes arise when anomalous convection lasts sufficiently long so that dry gravity waves eliminate the temperature anomalies in the convective region, satisfying weak temperature gradient (WTG) balance. This process causes moisture anomalies to dominate the distribution of moist enthalpy (or moist static energy), and hence the evolution of the wave. Conversely, convectively-coupled gravity waves arise when anomalous convection eliminates the moisture anomalies more rapidly than dry gravity waves can adjust the troposphere towards WTG balance, causing temperature to govern the moist enthalpy distribution and evolution. Spectral analysis of reanalysis data indicates that slowly-propagating waves (cp ~ 3 m s-1) are likely to be moisture modes while fast waves (cp ~ 30 m s-1) exhibit gravity wave behavior, with "mixed moisture-gravity" waves existing in between. While these findings are obtained from a highly idealized framework, it is hypothesized that they can be extended to understand simulations of convectively-coupled waves in GCMs and the thermodynamics of more complex phenomena.

Angel F Adames↗

Numerical studies of electron dynamics in oblique quasi-perpendicular collisionless shock waves

Linear and nonlinear electron damping of the whistler precursor wave train to low Mach number quasi-perpendicular oblique shocks is studied using a one-dimensional electromagnetic plasma simulation code with particle electrons and ions. In some parameter regimes, electrons are observed to trap along the magnetic field lines in the potential of the whistler precursor wave train. This trapping can lead to significant electron heating in front of the shock for low beta(e). Use of a 64-processor hypercube concurrent computer has enabled long runs using realistic mass ratios in the full particle in-cell code and thus simulate shock parameter regimes and phenomena not previously studied numerically.

Liewer, P. C.↗

The benefits of diligence: how precise are predicted gravitational wave spectra in models with phase transitions?

Models of particle physics that feature phase transitions typically provide predictions for stochastic gravitational wave signals at future detectors and such predictions are used to delineate portions of the model parameter space that can be constrained. The question is: how precise are such predictions? Uncertainties enter in the calculation of the macroscopic thermal parameters and the dynamics of the phase transition itself. We calculate such uncertainties with increasing levels of sophistication in treating the phase transition dynamics. Currently, the highest level of diligence corresponds to careful treatments of the source lifetime; mean bubble separation; going beyond the bag model approximation in solving the hydrodynamics equations and explicitly calculating the fraction of energy in the fluid from these equations rather than using a fit; and including fits for the energy lost to vorticity modes and reheating effects. The lowest level of diligence incorporates none of these effects. We compute the percolation and nucleation temperatures, the mean bubble separation, the fluid velocity, and ultimately the gravitational wave spectrum corresponding to the level of highest diligence for three explicit examples: SMEFT, a dark sector Higgs model, and the real singlet-extended Standard Model (xSM). In each model, we contrast different levels of diligence in the calculation and find that the difference in the final predicted signal can be several orders of magnitude. Our results indicate that calculating the gravitational wave spectrum for particle physics models and deducing precise constraints on the parameter space of such models continues to remain very much a work in progress and warrants care.

79 ASTRONOMY AND ASTROPHYSICS↗

On unitarity of the Coon amplitude

The Coon amplitude is a one-parameter deformation of the Veneziano amplitude. We explore the unitarity of the Coon amplitude through its partial wave expansion using tools from q-calculus. Our analysis establishes manifest positivity on the leading and sub-leading Regge trajectories in arbitrary spacetime dimensions D, while revealing a violation of unitarity in a certain region of (q, D) parameter space starting at the sub-sub-leading Regge order. A combination of numerical studies and analytic arguments allows us to argue for the manifest positivity of the partial wave coefficients in fixed spin and Regge asymptotics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Photoinduced enhancement of superconductivity in the plaquette Hubbard model

Real-time dynamics techniques have proven increasingly useful in theoretically and experimentally understanding strongly correlated systems. By employing unbiased time-resolved exact diagonalization, we study pump dynamics in the two-dimensional plaquette Hubbard model, where distinct hopping integrals t h and t' h are present within and between plaquettes. In the intermediate coupling regime, a significant enhancement of d-wave superconductivity is observed and compared with that obtained by simply examining expectation values with the eigenstates of the Hamiltonian. Furthermore, our work provides a further understanding of superconductivity in the Hubbard model, extends the description of the pairing amplitude to the frequency-anisotropy plane, and offers a promising approach for experimentally engineering emergent out-of-equilibrium states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Interplanetary observational constraints on Alfven wave acceleration of the solar wind

Spacecraft and interplanetary remote sensing observations of wave spectra are used to constrain the possible role of Alfven waves in the acceleration of high-speed streams in the solar wind. The observations suggest a method for extrapolating the wave energy flux near 1 AU back to the sun in a way that accounts for dissipation. Applying this method both for typical parameters and in the case of a well-studied high-speed stream leads to the conclusion that the Alfven waves observed in the solar wind were not sufficiently energetic near the sun to accelerate the streams.

Roberts, D. A.↗

Spectral structure of pressure measurements made in a combustion duct

A model for acoustic plane wave propagation in a combustion duct through a confined, flowing gas containing soot particles is presented. The model takes into account only heat transfer between the gas and soot particles. As a result, the model depends on only a single parameter which can be written as the ratio of the soot particle thermal relaxation time to the soot particle mass fraction. The model yields expressions for the attenuation and dispersion of the plane wave which depends only on this single parameter. The model was used to calculate pressure spectra in a combustion duct. The results were compared with measured spectra. For particular values of the single free parameter, the calculated spectra resemble the measured spectra. Consequently, the model, to this extent, explains the experimental measurements and provides some insight into the number and type of particles.

Miles, J. H.↗

Experimental Investigation of Elastodynamic Nonlinear Response of Dry Intact, Fractured and Saturated Rock

Nonlinear elastodynamic response of fractured rocks carries crucial information on fracture features that can be exploited to forecast flow properties, friction constitutive behavior and poromechanical response. Well-controlled laboratory experiments are designed to measure the nonlinear elastodynamic response of Westerly granite in three states: dry intact, dry fractured and saturated fractured. We study the effect of fracturing and saturation in modifying the elastodynamic response of the rock. Each sample is tested at a normal stress level of 15 MPa. We measure the elastodynamic response of an intact L-shaped sample of Westerly Granite subjected to normal stress oscillations of prescribed amplitudes (0.2–1 MPa) and frequencies (0.1, 1, 10 Hz). Ultrasonic waves transmitted across the sample are used to monitor the evolution of wave velocity before, during and after dynamic stressing. Furthermore, the nonlinearity of the elastodynamic response is measured in terms of: (1) the offset in normalized wave velocity; (2) the amplitude of wave velocity fluctuation during the oscillations; and (3) recovery rate of the wave velocity post-oscillation. We observe that the three nonlinearity parameters show a similar trend. Irrespective of the parameter, the nonlinearity measures higher for sample in dry-intact condition than that for dry-fractured and the saturated-fractured sample exhibits smaller nonlinearity than the dry-fractured sample. As expected, the saturated sample exhibits less nonlinearity than the dry intact and fractured samples due to the presence of interstitial fluid and the resulting increased interface stiffness. Conversely, the dry intact rock shows a higher nonlinearity than the dry fractured. We use numerical simulations to show that the presence of fracture significantly alters the strain distribution across the bulk of the sample and only the contacting asperities are highly strained, thus resulting in a decrease in the measured elastodynamic nonlinearity.

58 GEOSCIENCES↗

Experimental constraints on the sound velocities of cementite Fe 3 C to core pressures

Sound velocities of cementite Fe 3 C have been measured up to 1.5 Mbar and at 300 K in a diamond anvil cell using the nuclear resonant inelastic X-ray scattering (NRIXS) technique. From the partial phonon density of states (pDOS) and equation of state (EOS) of Fe 3 C, we derived its elastic parameters including shear modulus, compressional (V-p) and shear-wave (V-s) velocities to core pressures. A pressure-induced spin-pairing transition in the powdered Fe3C sample was found to occur gradually between 10 and 50 GPa by the X-ray Emission Spectroscopy (XES) measurements. Following the completion of the spin-pairing transition, the V p and V s of low-spin Fe 3 C increased with pressure at a markedly lower rate than its high-spin counterpart. Our results suggest that the incorporation of carbon in solid iron to form iron carbide phases, Fe 3 C and Fe 7 C 3 , could effectively lower the V s but respectively raise the Poisson's ratio by 0.05 and 0.07 to approach the seismically observed values for the Earth's inner core. In conclusion, the comparison with the preliminary reference Earth model (PREM) implies that an inner core composition containing iron and its carbon-rich alloys can satisfactorily explain the observed seismic properties of the inner core.

58 GEOSCIENCES↗

EPR of Photoexcited Triplet-State Acceptor Porphyrins

The photoexcited triplet states of porphyrin architectures are of significant interest in a wide range of fields including molecular wires, nonlinear optics, and molecular spintronics. Electron paramagnetic resonance (EPR) is a key spectroscopic tool in the characterization of these transient paramagnetic states singularly well suited to quantify spin delocalization. Previous work proposed a means of extracting the absolute signs of the zero-field splitting (ZFS) parameters, D and E, and triplet sublevel populations by transient continuous wave, hyperfine measurements, and magnetophotoselection. Here, we present challenges of this methodology for a series of mesoperfluoroalkyl-substituted zinc porphyrin monomers with orthorhombic symmetries, where interpretation of experimental data must proceed with caution and the validity of the assumptions used in the analysis must be scrutinized. The EPR data are discussed alongside quantum chemical calculations, employing both DFT and CASSCF methodologies. Despite some success of the latter in quantifying the magnitude of the ZFS interaction, the results clearly provide motivation to develop improved methods for ZFS calculations of highly delocalized organic triplet states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Time-dependent heterogeneity leads to transient suppression of the COVID-19 epidemic, not herd immunity

Significance Epidemics generally spread through a succession of waves that reflect factors on multiple timescales. Here, we develop a general approach bridging across these timescales and demonstrate how to incorporate population heterogeneity into a wide class of epidemiological models. We demonstrate that a fragile state of transient collective immunity emerges during early, high-paced stages of the epidemic, leading to suppression of individual epidemic waves. However, this state is not an indication of lasting herd immunity: Subsequent waves may emerge due to stochastic changes in individual social activity. Parameters of transient collective immunity are estimated using empirical data from the COVID-19 epidemic in several US locations.

59 BASIC BIOLOGICAL SCIENCES↗

Conductive Spray Paint Fabricated Cylindrical Coplanar Waveguide for Noncontact Liquid-Level Sensing

A noncontact liquid-level sensor using a cylindrical coplanar waveguide (CCPW) is proposed. The concept is demonstrated using a prototype device made by directly spraying conductive paint on the outer surface of a glass cylinder. The position of the air–liquid interface is measured using the time-domain reflection (TDR) signal from the CCPW. The geometric parameters of the prototype sensor were optimized using a full-wave simulation tool. The experimental results show that the prototype CCPW-based liquid-level sensor has a resolution of 29.8μm over a range of 210 mm at the sweeping frequency bandwidth of 500 MHz–4 GHz. The tradeoff between the resolution and the measurement range was discussed. The proposed sensor provides a low-cost, easy-to-fabricate, and noncontact method for liquid-level measurement, which has potential applications in fuel storage, chemical production, and wastewater treatment.

42 ENGINEERING↗