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DOE OSTI2024

Evidence of a distinct collective mode in Kagome superconductors

The collective modes of the superconducting order parameter fluctuation can provide key insights into the nature of the superconductor. Recently, a family of superconductors has emerged in non-magnetic kagome materials AV 3 Sb 5 (A = K, Rb, Cs), exhibiting fertile emergent phenomenology. However, the collective behaviors of Cooper pairs have not been studied. Here, we report a distinct collective mode in CsV 3-x Ta x Sb 5 using scanning tunneling microscope/spectroscopy. The spectral line-shape is well-described by one isotropic and one anisotropic superconducting gap, and a bosonic mode due to electron-mode coupling. With increasing x, the two gaps move closer in energy, merge into two isotropic gaps of equal amplitude, and then increase synchronously. The mode energy decreases monotonically to well below 2Δ and survives even after the charge density wave order is suppressed. We propose the interpretation of this collective mode as Leggett mode between different superconducting components or the Bardasis-Schrieffer mode due to a subleading superconducting component.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1974

Thermodynamic derivatives of infrared absorptance

Calculation of the concentration, pressure, and temperature dependence of the spectral absorptance of a vibrational absorption band. A smooth thermodynamic dependence was found for wavelength intervals where the average absorptance is less than 0.65. Individual rotational lines, whose parameters are often well known, were used as bases in the calculation of medium resolution spectra. Two modes of calculation were combined: well-separated rotational lines plus interaction terms, or strongly overlapping lines that were represented by a compound line of similar shape plus corrections. The 1.9- and 6.3-micron bands of H2O and the 4.3-micron band of CO2 were examined in detail and compared with experiment.

Broersma, S.↗

NASA NTRS1987

The structure and dynamics of Bok globule B335

Results are reported from mm-wave observations CO isotopes and other molecules in the Bok globule B335 (Lynd L663). The data cover the C-12O, C-13O, C-18O, and H-12CO(+) J = 1 yields of 0 rotational transition. Spectral data were also obtained for the preceding molecules and C-17O, H-13CO(+) and DCO(+). The data were used to calculate quantitative density and mass relationships and distributions, determine the rotational parameters, and characterize the force balance within the cloud for inclusion in a spherically averaged cloud model. A nonspherical cloud model which considers magnetic fields is presented. B335 has a dense core within a moderately dense cylindrically shaped envelope, which in turn is surrounded by a more diffuse elliptical envelope. The object is 250 pc from the earth.

Frerking, Margaret A.↗

DOE OSTI2022

Large-eddy simulation of non-vaporizing sprays using the spectral-element method

Predictive simulations of high-pressure sprays require accurate representation of the turbulent gaseous flow field generated by liquid jet. Typically, the accuracy that can be obtained with low-order numerical methods (e.g. finite volume, finite element) is limited by stability issues in fine grids and the order of convergence of the method. In this work, we resolve the turbulent flow field in an Eulerian manner using the high-order spectral element method, coupled with a Lagrangian parcels approach to model the atomizing liquid jet. Large eddy simulations of single-hole sprays under non-evaporative conditions were conducted and compared against experimental data from Margot et al. (2008) and Spray A data from the Engine Combustion Network. The sensitivity of liquid penetration and droplet sizes to different breakup model parameters was studied. The effect of different numerical parameters, such as polynomial order of the solution (grid resolution), on liquid penetration was also analyzed. The method achieved grid-independent results using p-refinement, achieving finer resolution (by a factor of x 1.7 - x 3.5) in the gas-phase solution than in state-of-the-art simulations using the finite-volume method. Here the results showed good agreement with experimental data, demonstrating the ability of the current method to accurately capture liquid penetration and the shape of the spray.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Self-consistent integrated modeling of combined hybrid discharge-laser produced plasma devices for extreme ultraviolet metrology

Discharge- and laser-produced plasma (DLPP) devices are being used as light sources for extreme ultraviolet (EUV) generation. A key challenge for both, DPP and LPP, is achieving sufficient brightness to support the throughput requirements of nanometrology tools. To simulate the environment of a hybrid DLPP device and optimize the EUV output, we have developed an integrated HEIGHTS-DLPP computer simulation package. The package integrates simulation of two evolving plasmas (DPP and LPP) and includes modeling of a set of integrated self-consistent processes: external power source and plasma energy balance, plasma resistive magnetohydrodynamics, plasma heat conduction, detailed radiation transport (RT), and laser absorption and refraction. We simulated and optimized DLPP devices using Xe gas as a target material. We synchronized the external circuit parameters, chamber gas parameters, and laser beam temporal and spatial profiles to achieve maximum EUV output. The full 3D Monte Carlo scheme was integrated for detailed RT and EUV output calculations in Xe using more than 3600 spectral groups. The modeling results are in good agreement with Julich Forschungszentrum experimental data. Theoretical models, developed and integrated into the HEIGHTS package, showed wide capabilities and flexibility. In conclusion, the models and package can be used for optimization of the experimental parameters and settings, investigation of DLPP devices with complex design, analyzing the impact of integrated spatial effects and working timeline arrangement on the final EUV output, and EUV source size, shape, and angular distribution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS2012

Deriving Plasma Densities and Elemental Abundances from SERTS Differential Emission Measure Analysis

We use high-resolution spectral emission line data obtained by the SERTS instrument during three rocket flights to demonstrate a new approach for constraining electron densities of solar active region plasma.We apply differential emission measure (DEM) forward-fitting techniques to characterize the multithermal solar plasma producing the observed EUV spectra, with constraints on the high-temperature plasma from the Yohkoh Soft X-ray Telescope. In this iterative process, we compare line intensities predicted by an input source distribution to observed line intensities for multiple iron ion species, and search a broad range of densities to optimize chi-square simultaneously for the many available density-sensitive lines. This produces a density weighted by the DEM, which appears to be useful for characterizing the bulk of the emitting plasma over a significant range of temperature. This "DEM-weighted density" technique is complementary to the use of density-sensitive line ratios and less affected by uncertainties in atomic data and ionization fraction for any specific line. Once the DEM shape and the DEM-weighted density have been established from the iron lines, the relative elemental abundances can be determined for other lines in the spectrum. We have also identified spectral lines in the SERTS wavelength range that may be problematic

corona↗

NASA NTRS1999

Cloud Spatial Structure and 3D Radiative Transfer

Cahalan, Robert F.↗

NASA NTRS2012

Evidence for Type Ia Supernova Diversity from Ultraviolet Observations with the Hubble Space Telescope

We present ultraviolet (UV) spectroscopy and photometry of four Type Ia supernovae (SNe 2004dt, 2004ef, 2005M, and 2005cf) obtained with the UV prism of the Advanced Camera for Surveys on the Hubble Space Telescope, This dataset provides unique spectral time series down to 2000 A. Significant diversity is seen in the near-maximum-light spectra (approx.2000-3500 A) for this small sample. The corresponding photometric data, together with archival data from Swift Ultraviolet/Optical Telescope observations, provide further evidence of increased dispersion in the UV emission with respect to the optical. The peak luminosities measured in the uvw lIF250W filter are found to correlate with the B-band light-curve shape parameter .(Delta)m15(B), but with much larger scatter relative to the correlation in the broad-band B band (e.g., approx. 0.4 mag versus approx. 0.2 mag for those with 0.8 <.(Delta)m15(B) < 1.7 mag). SN 2004dt is found as an outlier of this correlation (at> 3(sigma), being brighter than normal SNe Ia such as SN 2005cf by approx. 0,9 mag and approx. 2.0 mag in the uvwl1F250W and uvm2/F220W filters, respectively. We show that different progenitor metallicity or line-expansion velocities alone cannot explain such a large discrepancy. Viewing-angle effects, such as due to an asymmetric explosion, may have a significant influence on the flux emitted in the UV region. Detailed modeling is needed to disentangle and quantify the above effects

Wang, Xiaofeng↗

NASA NTRS2018

Polarimetric Remote Sensing of Atmospheric Aerosols: Instruments, Methodologies, Results, and Perspectives

Polarimetry is one of the most promising types of remote sensing for improved characterization of atmospheric aerosol. Indeed, aerosol particles constitute a highly variable atmospheric component characterized by a large number of parameters describing particle sizes, morphologies (including shape and internal structure), absorption and scattering properties, amounts, horizontal and vertical distribution, etc. Reliable monitoring of all these parameters is very challenging, and therefore the aerosol effects on climate and environment are considered to be among the most uncertain factors in climate and environmental research. In this regard, observations that provide both the angular distribution of the scattered atmospheric radiation as well as its polarization state at multiple wavelengths covering the UV–SWIR spectral range carry substantial implicit information on the atmospheric composition. Therefore, high expectations in improving aerosol characterization are associated with detailed passive photopolarimetric observations. The critical need to use space-borne polarimetry for global accurate monitoring of detailed aerosol properties was first articulated in the late 1980s and early 1990s. By now, several orbital instruments have already provided polarization observations from space, and a number of advanced missions are scheduled for launch in the coming years by international and national space agencies. The first and most extensive record of polarimetric imagery was provided by POLDER-I, POLDER-II, and POLDER/PARASOL multi-angle multi-spectral polarization sensors. Polarimetric observations with the POLDER-like design intended for collecting extensive multi-angular multi-spectral measurements will be provided by several instruments, such as the MAI/TG-2, CAPI/TanSat, and DPC/GF-5 sensors recently launched by the Chinese Space Agency. Instruments such as the 3MI/MetOp-SG, MAIA, SpexOne and HARP2 on PACE, POSP, SMAC, PCF, DPC–Lidar, ScanPol and MSIP/Aerosol-UA, MAP/Copernicus CO2 Monitoring, etc. are planned to be launched by different space agencies in the coming decade. The concepts of these future instruments, their technical designs, and the accompanying algorithm development have been tested intensively and analyzed using diverse airborne prototypes. Certain polarimetric capabilities have also been implemented in such satellite sensors as GOME-2/MetOp and SGLI/GCOM-C.

Aerosols↗

NASA NTRS1991

Domain-decomposed preconditionings for transport operators

The performance was tested of five different interface preconditionings for domain decomposed convection diffusion problems, including a novel one known as the spectral probe, while varying mesh parameters, Reynolds number, ratio of subdomain diffusion coefficients, and domain aspect ratio. The preconditioners are representative of the range of practically computable possibilities that have appeared in the domain decomposition literature for the treatment of nonoverlapping subdomains. It is shown that through a large number of numerical examples that no single preconditioner can be considered uniformly superior or uniformly inferior to the rest, but that knowledge of particulars, including the shape and strength of the convection, is important in selecting among them in a given problem.

Chan, Tony F.↗

NASA NTRS2001

Cloud Spatial Structure and 3D Radiative Transfer

Cloud radiative properties are sensitive to drop size and other parameters of cloud micro-structure, but also to cloud shape, spacing, and other parameters of cloud macro-structure, including internal fractal structure. New information on cloud structure is being derived from a variety of cloud radars and lidars. Ongoing field programs such as DoE/ARM are improving the measurement and modelling of physical and radiative properties of clouds. A parallel effort is underway to improve cloud remote sensing, especially from the new suite of EOS (Earth Observing System) instruments which are beginning to provide higher spectral, spatial resolution, and/or angular resolution. Key parameters for improving pixel-scale retrievals are cloud thickness and photon mean-free-path, which together determine the scale of "radiative smoothing" of cloud fluxes and radiances. This scale has been observed as a change in the spatial spectrum of Landsat cloud radiances, and was also recently found with the Goddard micropulse lidar, by searching for returns from directions nonparallel to the incident beam. "Offbeam" Lidar returns are now being used to estimate the cloud "radiative Green's function", (G). G depends on cloud thickness and may be used to retrieve that important quantity. G is also being applied to improving simple estimates of cloud radiative properties that are based on the "Independent Pixel Approximation" or IPA. This and other measurements of 3D transfer in clouds, coupled with Monte Carlo and other 3D transfer methods, are beginning to provide a better understanding of the dependence of radiation on cloud inhomogeneity, and to suggest new retrieval and parameterization algorithms which take account of cloud inhomogeneity. An international "Intercomparison of 3D Radiation Codes" or I3RC, program is underway to coordinate and evaluate the variety of 3D radiative transfer methods now available, and to make them more widely available. Information is on the Web at: http://climate.gsfc.nasa.gov/I3RC. Input consists of selected cloud fields derived from data sources such as radar, microwave and satellite, and from models involved in the GEWEX Cloud Systems Studies. Output is selected radiative quantities that characterize the large-scale properties of the fields of radiative fluxes and heating. Several example cloud fields will be used to illustrate the effects of cloud inhomogeneity and 3D radiation.

Cahalan, Robert F.↗

NASA NTRS2011

Photocatalytic Active Radiation Measurements and Use

Photocatalytic materials are being used to purify air, to kill microbes, and to keep surfaces clean. A wide variety of materials are being developed, many of which have different abilities to absorb various wavelengths of light. Material variability, combined with both spectral illumination intensity and spectral distribution variability, will produce a wide range of performance results. The proposed technology estimates photocatalytic active radiation (PcAR), a unit of radiation that normalizes the amount of light based on its spectral distribution and on the ability of the material to absorb that radiation. Photocatalytic reactions depend upon the number of electron-hole pairs generated at the photocatalytic surface. The number of electron-hole pairs produced depends on the number of photons per unit area per second striking the surface that can be absorbed and whose energy exceeds the bandgap of the photocatalytic material. A convenient parameter to describe the number of useful photons is the number of moles of photons striking the surface per unit area per second. The unit of micro-einsteins (or micromoles) of photons per m2 per sec is commonly used for photochemical and photoelectric-like phenomena. This type of parameter is used in photochemistry, such as in the conversion of light energy for photosynthesis. Photosynthetic response correlates with the number of photons rather than by energy because, in this photochemical process, each molecule is activated by the absorption of one photon. In photosynthesis, the number of photons absorbed in the 400 700 nm spectral range is estimated and is referred to as photosynthetic active radiation (PAR). PAR is defined in terms of the photosynthetic photon flux density measured in micro-einsteins of photons per m2 per sec. PcAR is an equivalent, similarly modeled parameter that has been defined for the photocatalytic processes. Two methods to measure the PcAR level are being proposed. In the first method, a calibrated spectrometer with a cosine receptor is used to measure the spectral irradiance. This measurement, in conjunction with the photocatalytic response as a function of wavelength, is used to estimate the PcAR. The photocatalytic response function is determined by measuring photocatalytic reactivity as a function of wavelength. In the second method, simple shaped photocatalytic response functions can be simulated with a broad-band detector with a cosine receptor appropriately filtered to represent the spectral response of the photocatalytic material. This second method can be less expensive than using a calibrated spectrometer.

Davis, Bruce A.↗

DOE OSTI2022

The effects of advanced spectral line shapes on atmospheric carbon dioxide retrievals

Line shape effects such as speed-dependence and collisional (Dicke) narrowing are manifest in high signal-to-noise ratio laboratory spectra for a wide range of molecular species and sample conditions. However, these effects are usually neglected in spectroscopic models used in remote sensing of atmospheric greenhouse gases. Here, in this study, we examine the effects of line profile choice on laboratory spectra and XCO 2 values retrieved from Total Carbon Column Observing Network (TCCON) spectra. To this end, we utilize limiting cases of the Hartmann-Tran profile (HTP) with shape parameters recently measured by cavity ring-down spectroscopy. Significant differences highlighting the importance of including speed-dependence effects in forward models were observed both in scaling retrievals as well as profile retrievals. However, because of uncertainties associated with the atmospheric temperature gradient, it was not possible to extract accurate carbon column profiles even with inclusion of these new line shape parameters and advanced line profiles.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Extracting doubly excited state lifetimes in helium directly in the time domain with attosecond noncollinear four-wave-mixing spectroscopy

The helium atom, with one nucleus and two electrons, is a prototypical system to study quantum many-body dynamics. Doubly excited states, or quantum states in which both electrons are excited by one photon, showcase electronic-correlation mediated effects. In this paper, the natural lifetimes of the doubly excited 1 P o 2 s n p Rydberg series and the 1 S e 2 p 2 dark state in helium in the 60–65 eV region are measured directly in the time domain with extreme-ultraviolet/near-infrared noncollinear attosecond four-wave-mixing (FWM) spectroscopy. The measured lifetimes agree with lifetimes deduced from spectral linewidths and theoretical predictions, and the roles of specific decay mechanisms are considered. While complex spectral line shapes in the form of Fano resonances are common in absorption spectroscopy of autoionizing states, the background-free and thus homodyned character of noncollinear FWM results exclusively in Lorentzian spectral features in the absence of strong-field effects. The onset of strong-field effects that would affect the extraction of accurate natural lifetimes in helium by FWM is determined to be approximately 0.3 Rabi cycles. This study provides a systematic understanding of the FWM parameters necessary to enable accurate lifetime extractions, which can be utilized in more complex quantum systems in the future. Published by the American Physical Society 2024

Rupprecht, Patrick (ORCID:000000026491793X)↗

NASA NTRS2012

The Rise and Fall of Star Formation Histories of Blue Galaxies at Redshifts 0.2 < z < 1.4

Popular cosmological scenarios predict that galaxies form hierarchically from the merger of many progenitor, each with their own unique star formation history (SFH). We use the approach recently developed by Pacifici et al. to constrain the SFHs of 4517 blue (presumably star-forming) galaxies with spectroscopic redshifts in the range O.2 < z < 1:4 from the All-Wavelength Extended Groth Strip International Survey (AEGIS). This consists in the Bayesian analysis of the observed galaxy spectral ' energy distributions with a comprehensive library of synthetic spectra assembled using state-of-the-art models of star formation and chemical enrichment histories, stellar population synthesis, nebular emission and attenuation by dust. We constrain the SFH of each galaxy in our sample by comparing the observed fluxes in the B, R,l and K(sub s) bands and rest-frame optical emission-line luminosities with those of one million model spectral energy distributions. We explore the dependence of the resulting SFH on galaxy stellar mass and redshift. We find that the average SFHs of high-mass galaxies rise and fall in a roughly symmetric bell-shaped manner, while those of low-mass galaxies rise progressively in time, consistent with the typically stronger activity of star formation in low-mass compared to high-mass galaxies. For galaxies of all masses, the star formation activity rises more rapidly at high than at low redshift. These findings imply that the standard approximation of exponentially declining SFHs wIdely used to interpret observed galaxy spectral energy distributions is not appropriate to constrain the physical parameters of star-forming galaxies at intermediate redshifts.

Pacifici, Camilla↗

DOE OSTI2021

Electron–Phonon and Spin–Lattice Coupling in Atomically Thin Layers of MnBi 2 Te 4

MnBi 2 Te 4 represents a new class of magnetic topological insulators in which novel quantum phases emerge at temperatures higher than those found in magnetically doped thin films. Here in this paper, we investigate how couplings between electron, spin, and lattice are manifested in the phonon spectra of few-septuple-layer thick MnBi 2 Te 4 . After categorizing phonon modes by their symmetries, we study the systematic changes in frequency, line width, and line shape of a spectrally isolated A1g mode. The electron–phonon coupling increases in thinner flakes as manifested in a broader phonon line width, which is likely due to changes of the electron density of states. In 4- and 5-septuple thick samples, the onset of magnetic order below the Néel temperature is concurrent with a transition to an insulating state. We observe signatures of a reduced electron–phonon scattering across this transition as reflected in the reduced Fano parameter. Finally, spin–lattice coupling is measured and modeled from temperature-dependent phonon frequency.

36 MATERIALS SCIENCE↗

NASA NTRS1999

Cloud Spatial Structure and 3D Radiative Transfer

Cloud radiative properties are sensitive to drop size and other parameters of cloud micro-structure, but also to cloud shape,spacing, and other parameters of cloud macro-structure, including internal fractal structure. New information on cloud structure is being derived from a variety of cloud radars. Ongoing field programs such as Department of Energy's Atmospheric Radiation Measurement (DoE/ARM) are improving the measurement and modelling of physical and radiative properties of clouds. A parallel effort is underway to improve cloud remote sensing, especially from the new suite of EOS-AM1 instruments which will provide higher spectral, spatial resolution, and/or angular resolution. Key parameters for improving pixel-scale retrievals are cloud thickness and photon mean-free-path, which together determine the scale of "radiative smoothing" of cloud fluxes and radiances. This scale has been observed as a change in the spatial spectrum of Landsat cloud radiances, and was also recently found with the Goddard micropulse lidar, by searching for returns from directions nonparallel to the incident beam. "Offbeam" Lidar returns are now being used to estimate the cloud "radiative Green's function", G,which depends on cloud thickness and may be used to retrieve that important quantity. G is also being applied to improving simple IPA estimates of cloud radiative properties. This and other measurements of 3D transfer in clouds, coupled with Monte Carlo and other 3D transfer methods, are beginning to provide a better understanding of the dependence of adiation on cloud inhomogeneity, and to suggest new retrieval and parameterization algorithms which take account of cloud inhomogeneity. An international "Intercomparison of 3D Radiation Codes" or I3RC, program is beginning to coordinate and evaluate the variety of 3D radiative transfer methods now available, and to make them more widely available. Information is on the Web at: http://climate.qsfc.nasa.crov/I3RC. Input consists of selected cloud fields derived from data sources such as radar, microwave and satellite, and from models involved in the GEWEX Cloud Systems Studies. Output is selected radiative quantities that characterize the large- scale properties of the fields of radiative fluxes and heating. Several example cloud fields will be used to illustrate.

Cahalan, Robert F.↗

NASA NTRS2001

Remote-Sensing Reflectance and Inherent Optical Properties for Optically Deep Waters: A Revisit

Remote-sensing reflectance (r(rs)) is defined as the ratio of upwelling radiance to downwelling irradiance. Relationships between remote-sensing reflectance and inherent optical properties serve as the basis for ocean-color modeling, as well as for spectral deduction of oceanic constituents through analytical/semi-analytical models of ocean color. A decade ago, a simple and concise formula based on Monte Carlo simulations was developed by relating rrs to a property u, the ratio of backscattering (b(b)) to the sum of absorption (a) and backscattering (u = b(b)/(a+b(b))). This relationship generally ignored the shape differences in phase functions between molecular scattering and particle scattering. In this study, the relationship is updated with separate parameters for molecular and particle scattering, based on the Radiative Transfer Equation through use of Hydrolight numerical solutions. The new approach fits r(rs) better than an earlier traditional formula, for both clear and turbid waters.

Lee, Zhong-Ping↗