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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
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

Optical encoder devices and systems

Devices, systems and methods for encoding information using optical components are described. An example photonic filtered sampler includes a spectral shaper configured to receive an optical pulse train, a dispersive element positioned to receive an output of the spectral shaper and to expand spectral contents thereof in time, and a modulator configured to receive an output of the dispersive element and a radio frequency (RF) signal, and to produce a modulated output optical signal in accordance with the RF signal. In this configuration, one or more characteristics of the modulated output optical signal is determined based on a spectral shape provided by the spectral shaper and dispersive properties of the dispersive element.

Buckley, Brandon Walter↗
DOE OSTI2020

High Resolution Data Analysis: Plans and Prospects [Book Chapter]

Herein, a report on the progress on the high resolution data analysis of the ADMX experimental results is presented. In this paper, tools are developed and tested on a blind injection mimicking a Maxwellian like signal in the frequency domain. This blind injection will be used as a test bed which can be later implemented on all the high resolution data. The high resolution data is stored in the Fermilab server. In this analysis a PostgreSQL query was made to ensure the blind injection is in the middle of the frequency spectrum and 19 such files were found. The time series data is read using a c++ program. An apodization function is applied on the time series data and zero filled to reduce the frequency spacing in order to achieve a better interpolation. A FFTW header is used to compute the Fourier transform of the time series data. A Savitzky–Golay filter is applied on the unnormalized power which then can be used to remove the spectral shape. Each frequency spectrum has a bandwidth of 50 kHz.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Development of a triple-moment ice-phase cloud microphysics scheme and its application to the Single Column Atmosphere Model

Parameterization of cloud microphysics is critical for accurate simulation of weather and climate, in which the characteristics of cloud particle spectrum inevitably further affect climate simulation by changing the cloud evolution and cloud radiation effects. The popular currently used double-moment cloud microphysics schemes in numerical models can predict the intercept (N 0 ) and slope (λ) parameters of cloud particle spectrum but cannot predict the spectral shape parameter (μ), which hinders accurate description of cloud physical processes in climate models. Therefore, in the present study, we built upon the ideas of previously developed triple-moment cloud microphysics scheme, considered radar reflectivity factor as the third predictor in addition to number and mass concentration, and introduced its related prediction equation to the Single Column Atmosphere Model Version 5.3 (SCAM5.3). Moreover, the relevant microphysical process formulas in the model were revised, and a triple-moment ice-cloud microphysics scheme was constructed to predict the μ of ice particle spectrum. Based on this model, a 29-day case of the Atmospheric Radiation Measurement Program in the summer of 1997 (ARM97) was simulated, and the differences in cloud fraction and radiation simulations between the double- and triple-moment schemes were analysed. The μ of ice particle spectrum predicted by the triple-moment scheme mainly ranged from 0 to 4; the peak value was around 2, and at least 85% of the μ values were greater than the default 0. Therefore, the μ=0 setting in the double-moment scheme is unreasonable. Moreover, the developed triple-moment ice-cloud microphysics scheme yielded a narrower ice particle spectrum, which was closer to the observation results of previous studies, than the double-moment cloud microphysics scheme (e.g., height=233 hPa). Furthermore, compared with the double-moment scheme, the triple-moment scheme achieved closer simulations of the cloud fraction observations, particularly for ice clouds in the upper levels. Considering the close association between cloud fraction and radiation, the error with the triple-moment scheme was smaller than that with the double-moment scheme regardless of the shortwave (surface downward shortwave radiation, net downward shortwave radiation at the top of the atmosphere, and net shortwave radiation at the surface) or longwave (surface downward longwave radiation and net longwave radiation at the surface) flux density. Finally, the improvement mechanism of the triple-moment scheme on cloud fraction and radiation simulations was explored. The major reason is that the triple-moment scheme weakens the autoconversion of ice crystal to form snow and enhances the growth process of ice crystal deposition, thereby increasing the mass concentration of ice crystals and ice cloud fraction. Overall, the developed triple-moment ice-cloud microphysics scheme can help improve the simulation ability of models for cloud-climate feedback and other processes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

On-chip pulse shaping of entangled photons

The miniaturization of optical systems via integrated photonics is critical to the ultimate scalability and performance of photonic quantum processors, yet many longstanding optical signal processing capabilities—such as Fourier-transform pulse shaping—remain unrealized on chip. In this work, we demonstrate on-chip spectral shaping of entangled photons using a multichannel microring-resonator-based silicon photonic pulse shaper. Achieving line-by-line phase control on a 3 GHz grid for two frequency-bin-entangled qudits, the pulse shaper's fine spectral resolution enables control of nanosecond-scale temporal features, which are observed by direct coincidence detection of biphoton correlation functions that show excellent agreement with theory. This work marks a demonstration of biphoton pulse shaping using an integrated spectral shaper and holds significant promise for applications in photonic quantum information processing.

Entanglement manipulation↗
DOE OSTI2023

X-ray continuum spectroscopy of inertial confinement fusion implosions at the National Ignition Facility

A methodology for measuring x-ray continuum spectra of inertial confinement fusion (ICF) implosions is described. The method relies on the use of ConSpec, a high-throughput spectrometer using a highly annealed pyrolytic graphite crystal , which measures the spectra in the ≃20–30 keV range. Due to its conical shape, the crystal is sagittally focusing a Bragg-reflected x-ray spectrum into a line, which enhances the recorded x-ray emission signal above the high neutron-induced background accompanying ICF implosions at the National Ignition Facility. To improve the overall measurement accuracy, the sensitivity of the spectrometer measured in an off-line x-ray laboratory setting was revised. The error analysis was expanded to include the accuracy of the off-line measurements, the effect of the neutron-induced background, as well as the influence of possible errors in alignment of the instrument to the ICF target. Here we demonstrate how the improved methodology is applied in the analysis of ConSpec data with examples of a relatively low-neutron-yield implosion using a tritium–hydrogen–deuterium mix as a fuel and a high-yield deuterium–tritium (DT) implosion producing high level of the background. In both cases, the shape of the measured spectrum agrees with the exponentially decaying spectral shape of bremsstrahlung emission to within ±10%. In the case of the high-yield DT experiment, non-monotonic deviations slightly exceeding the measurement uncertainties are observed and discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Parameterizations of Entrainment-Mixing Mechanisms and their Effects on Cloud Droplet Spectral Width Based on Numerical Simulations

Entrainment-mixing mechanisms significantly affect cloud droplet number concentration, radius, and spectral shape. Quantitative examination of entrainment-mixing effects on cloud droplet spectral width is lacking. Here, we examine the effects of entrainment-mixing processes on cloud microphysics by 12,218 different setups, each simulated 10 times using the Explicit Mixing Parcel Model (EMPM) driven by the observational data from the Third Tibetan Plateau Atmospheric Scientific Experiment (TIPEX-III) campaign. Parameterizations of entrainment-mixing mechanisms are developed by relating homogeneous mixing degree to transition scale number that depends on the dissipation rate and droplet evaporation time scale. The correlation between relative dispersion of cloud droplet size distribution and homogeneous mixing degree changes from negative to positive with the decreasing homogeneous mixing degree. The different relationships are closely related to the competition between complete and partial droplet evaporation and the number concentration of small droplets, which are quantitatively described by two newly introduced dimensionless numbers. The competition is significantly affected by relative humidity and mixing fraction of entrained air as well as turbulence dissipation rate, but not much by cloud droplet number concentration. Especially, when relative humidity and dissipation rate are high, there is only a negative correlation. This study sheds new light on generalizing the homogeneous/inhomogeneous concept by considering relative dispersion, and also provides parameterizations of entrainment-mixing processes and relative dispersion for atmospheric models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Multidimensional coherent spectroscopy of light-driven states and their collective modes in multiband superconductors

We present a comprehensive theory of light-controlled multiband superconductivity, and apply it to predict distinctive signatures of light-driven superconducting (SC) states in terahertz multidimensional coherent spectroscopy (THz-MDCS) experiments. We first derive gauge-invariant Maxwell-Bloch equations for multiband BCS superconductors with spatial fluctuations. We consider driving electromagnetic fields determined self-consistently by Maxwell's equations. By calculating the THz-MDCS spectra measured experimentally in the clean SC limit, we identify unique signatures of finite-momentum Cooper-pairing states that live longer than the laser pulse. They are controlled by a pair of THz laser pulses with well-defined relative phase (pulse pair). The pseudospin oscillators that describe the properties of these SC states are parametrically driven by both finite-momentum Cooper pairing and by time oscillations of the order-parameter relative phase. We show that such strong parametric driving leads to drastic changes in the THz-MDCS spectral shape from the predictions of third-order nonlinear susceptibility calculations. These spectral changes strongly depend on the interband-to-intraband interaction ratio and on the collective modes of the light-driven state. For negligible interband interaction, the spectra show a transition with increasing field, from traditional pump-probe, four-wave-mixing, and third-harmonic generation peaks determined by the laser frequency to sidebands determined by the excitations of the driven system. These sidebands emerge from difference-frequency Raman processes in the nonequilibrium SC state. For interband couplings weaker than the intraband pairing, we show that the Leggett phase collective mode leads to harmonic sidebands around the traditional pump-probe peaks. Additional Higgs collective mode peaks result from light-induced inversion-symmetry breaking in a thin-film geometry. For strong interband coupling, we find a transition from a nonequilibrium finite Cooper-pair momentum state characterized by hybrid-Higgs amplitude mode peaks in THz-MDCS spectra to a driven state identified experimentally by the emergence of Floquet-type sidebands at bi-Higgs frequencies. Those dominant bi-Higgs-frequency satellites are manifestations of a new order parameter relative phase collective mode that characterizes the nonequilibrium SC state. The predicted interaction- and field-dependent transitions in the spectral profile allow us to propose THz-MDCS experiments for quantum tomography of light-driven superconductivity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

What controls the UV-to-X-ray continuum shape in quasars?

ABSTRACT We present an investigation of the interdependence of the optical-to-X-ray spectral slope (αox), the He ii equivalent-width (EW), and the monochromatic luminosity at 2500 Å (L2500). The values of αox and He ii EW are indicators of the strength/shape of the quasar ionizing continuum, from the ultraviolet (UV; 1500–2500 Å), through the extreme ultraviolet (EUV; 300–50 Å), to the X-ray (2 keV) regime. For this investigation, we measure the He ii EW of 206 radioquiet quasars devoid of broad absorption lines that have high-quality spectral observations of the UV and 2 keV X-rays. The sample spans wide redshift (≈0.13–3.5) and luminosity (log(L2500) ≈ 29.2–32.5 erg s−1 Hz−1) ranges. We recover the well-known αox–L2500 and He ii EW–L2500 anticorrelations, and we find a similarly strong correlation between αox and He ii EW, and thus the overall spectral shape from the UV, through the EUV, to the X-ray regime is largely set by luminosity. A significant αox– He ii EW correlation remains after removing the contribution of L2500 from each quantity, and thus the emission in the EUV and the X-rays are also directly tied. This set of relations is surprising, since the UV, EUV, and X-ray emission are expected to be formed in three physically distinct regions. Our results indicate the presence of a redshift-independent physical mechanism that couples the continuum emission from these three different regions, and thus controls the overall continuum shape from the UV to the X-ray regime.

Timlin III, John D.↗
DOE OSTI2025

Control over Banded Morphologies and Circular Dichroism in Chiral Halide Perovskites

Chiral halide perovskites (c-HPs) merge the chirality of organic cations with the semiconducting properties of metal halide frameworks, creating a family of chiral semiconductors with tunable chiroptoelectronic behavior. Here, we describe the impact of periodic banded morphologies of textured c-HP ( R/S -NEA) 2 PbBr 4 films (NEA = 1- (1-naphthyl)ethylammonium) on their chiroptical behavior. Due to the interplay between the crystalline and glassy phases, the c-HP film growth is driven by rhythmic precipitation, producing a distinctive controllable radial banded pattern with the ( R/S -NEA) 2 PbBr 4 inorganic planes oriented parallel to the substrate. The banded morphology can be controlled, as evidenced by the growth temperature dictating the ridge-to-ridge spacing as well as the density of banded regions. The resulting circular dichroism (CD) spectral shape, intensity, and polarity vary in a seemingly random manner across processing conditions. However, these spectral features can be explained by considering key features of the banded morphology, such as refraction of the incident light due to surface morphology, birefringence, and stacked, rotated crystallites. These effects cannot be canceled by averaging front and back CD spectra of c-HP films, and our model incorporating these effects reproduces all observed CD spectra remarkably well. The control over the c-HP morphology and prediction capabilities of our CD modeling leads to further understanding of this class of semiconductors and the possibility of exploiting structural features for light polarization control akin to enhanced metamaterials.

14 SOLAR ENERGY↗
DOE OSTI2023

Optical spectral observations of three binary millisecond pulsars

We present the results of optical spectroscopy of stellar companions to three binary millisecond pulsars, PSRs J0621+2514, J2317+1439, and J2302+4442, obtained with the Gran Telescopio Canarias. The spectrum of the J0621+2514 companion shows a blue continuum and prominent Balmer absorption lines. The latter are also resolved in the spectrum of the J2317+1439 companion, showing that both are DA-type white dwarfs. No spectral features are detected for the J2302+4442 companion; however, its broad-band magnitudes and the spectral shape of the continuum emission imply that this is also a DA-type white dwarf. Based on the spectral analyses, we conclude that the companions of J0621+2514 and J2317+1439 are relatively hot, with effective temperatures T eff = 8600 ± 200 and 9600 ± 2000 K, respectively, while the J2302+4442 companion is significantly cooler, T eff <6000 K. We also estimated the distance to J0621+2514 of 1.1 ± 0.3 kpc and argue that its companion and the companion of J2317+1439 are He-core white dwarfs providing constraints on their cooling ages of $\lesssim$2 Gyr.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Light neutral-meson production in pp collisions at $\sqrt{\text{s}}$ = 13 TeV

The momentum-differential invariant cross sections of π 0 and η mesons are reported for pp collisions at $\sqrt{s}$ = 13 TeV at midrapidity (|y| < 0.8). The measurement is performed in a broad transverse-momentum range of 0.2 < p T < 200 GeV/c and 0.4 < p T < 60 GeV/c for the π 0 and η, respectively, extending the p T coverage of previous measurements. Transverse-mass-scaling violation of up to 60% at low transverse momentum has been observed, agreeing with measurements at lower collision energies. Transverse Bjorken x (x T ) scaling of the π 0 cross sections at LHC energies is fulfilled with a power-law exponent of n = 5.01 ± 0.05, consistent with values obtained for charged pions at similar collision energies. The data are compared to predictions from next-to-leading order perturbative QCD calculations, where the π 0 spectrum is best described using the CT18 parton distribution function and the NNFF1.0 or BDSS fragmentation function. Expectations from PYTHIA8 and EPOS LHC overestimate the spectrum for the π 0 and are not able to describe the shape and magnitude of the η spectrum. The charged-particle multiplicity dependent π 0 and η p T spectra show the expected change of the spectral shape, characterized by a flatter slope with increasing multiplicity. This is demonstrated across a broad transverse-momentum range and up to events with a charged-particle multiplicity exceeding five times the mean value in minimum bias collisions. The η/π 0 ratio depends on the charged-particle multiplicity for p T < 4 GeV/c. PYTHIA8 and EPOS LHC qualitatively explain this behavior with an increasing contribution from the feed-down of heavier particles to the π 0 spectrum.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Quantitative infrared spectroscopy of aerosols: Mie theory modeling with experimental validation

Infrared spectroscopy is a well-established method for identifying solid, liquid, and gas-phase chemicals. Accurate infrared spectroscopic analysis requires reference libraries where library endmembers reflect all optical phenomena contributing to the observed spectra. Traditional spectral libraries most often contain molecular-based absorption spectra, but these do not account for the complex scattering effects that become significant when measuring aerosols. In this work, we combine the laboratory-derived, wavelength-dependent complex optical vectors ( n / k ) of liquid dioctyl sebacate (DOS) with Mie scattering theory and the Beer–Lambert law to generate synthetic infrared transmission spectra of aerosolized DOS. Additionally, we record experimental infrared transmission spectra using an FTIR spectrometer coupled to a simple aerosol chamber filled with a quantified number size distribution of aerosolized DOS. The modeled and measured spectra show strong agreement, with Mie scattering effects clearly altering the overall spectral shape as well as the positions and profiles of absorption features. The results demonstrate that synthetic spectra generated from n / k values can reliably capture aerosol-specific spectral behavior and thus serve as a foundation for building scalable, physics-based aerosol reference libraries to enable infrared spectroscopic detection of aerosols.

Salcido, Jessica M. O. [Pacific Northwest National↗
DOE OSTI2024

Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds

X-ray absorption spectroscopy (XAS) is an element-specific materials characterization technique that is sensitive to structural and electronic properties. First-principles simulated XAS has been widely used as a powerful tool to interpret experimental spectra and draw physical insights. Recently, there has also been growing interest in building computational XAS databases to enable data analytics and machine learning applications. However, there are non-trivial differences among commonly used XAS simulation codes, both in underlying theoretical formalism and in technical implementation. Reliable and reproducible computational XAS databases require systematic benchmark studies. In this work, we benchmarked Ti K-edge XAS simulations of ten representative Ti-O binary compounds, which we refer to as the Ti-O-10 dataset, using three state-of-the-art codes: XSPECTRA, OCEAN and exciting. We systematically studied the convergence behavior with respect to the input parameters and developed a workflow to automate and standardize the calculations to ensure converged spectra. Our benchmark comparison considers a 35 eV spectral range starting from the K-edge onset, representative of widely used near-edge spectra. Quantitative comparison over this range is based on Spearman’s rank correlation score (r sp ). Our results show: (1) the two Bethe-Salpeter equation (BSE) codes (OCEAN and exciting) have excellent agreement with an average $r$ $sp$ of 0.998; (2) good agreement is obtained between the core-hole potential code (XSPECTRA) and BSE codes (OCEAN and exciting) with an average $r$ $sp$ of 0.990, and this smaller $r$ $sp$ reflects the noticeable differences in the main edge spectral shape that can be primarily attributed to the difference in the strength of the screened core-hole potential; (3) simulations from both methods overall reproduce well the main experimental spectral features of rutile and anatase, and the different treatments of the screened core-hole potential have visible impact on pre-edge intensities and the peak ratio of the main edge; (4) there exist moderate differences in the relative edge alignment of the three codes with a standard deviation of about 0.2 eV, which arise from multiple contributions including the frozen core approximation, final state effects, and different approximations used for the self-energy correction. In conclusion, our benchmark study provides important standards for first-principles XAS simulations with broad impact in data-driven XAS analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Consideration of Initial Cloud Droplet Size Distribution Shapes in Quantifying Different Entrainment-Mixing Mechanisms

Entrainment-mixing process significantly affects cloud micro/macrophysics and the evaluation of aerosol indirect effects. However, it remains an open question as to how to quantify entrainment-mixing mechanism for broad cloud droplet size distributions (CDSDs). Here, CDSDs with different spectral widths are used to initialize the Explicit Mixing Parcel Model to address this problem, and microphysical properties are compared for different CDSD widths. For relatively broad CDSDs, as the number concentration and liquid water content decrease, the volume-mean radius and mean radius increase, which is opposite to the scenario for relatively narrow CDSDs and the homogeneous/inhomogeneous conceptual model. For the relatively broad CDSDs, such relationships could be mistaken as inhomogeneous mixing with subsequent ascent in analysis of the conventional microphysical mixing diagram. This then causes traditional homogenous mixing degrees to be unrealistically negative and not applicable for relatively broad CDSDs. New measures are introduced to explicitly account for the effect of CDSD spectral shapes on quantifying entrainment-mixing mechanism. The new measures yield reasonable ranges of values that conform to the dynamical measures such as the Damköhler and transitional scale numbers, and their temporal variation can be explained physically. This study extends the measures of homogeneous mixing degrees from narrow to broad CDSDs, and sheds new light on the consideration of CDSD shapes in parameterizations of entrainment-mixing mechanism.

54 ENVIRONMENTAL SCIENCES↗