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At least 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Carbonation of MgO Single Crystals: Implications for Direct Air Capture of CO 2

Direct air capture (DAC) may be feasible to remove carbon dioxide (CO 2 ) from the atmosphere at the gigaton scale, holding promise to become a major contributor to climate change mitigation. Mineral looping using magnesium oxide (MgO) is potentially an economical, efficient, and sustainable pathway to gigaton-scale DAC. The hydroxylation and carbonation of MgO determine the efficiency of the looping process, but their rates and mechanisms remain uncertain. Here, in this work, MgO single crystals were reacted in air or CO 2 at varying humidities and characterized by X-ray scattering, microscopy, and vibrational spectroscopy. Results show that the hydroxylation formed a brucite (Mg(OH) 2 )-like layer immediately after crystal cleaving. Concurrently, the carbonation formed hydrated magnesium carbonate phases, including barringtonite (MgCO 3 ·2H 2 O) and nesquehonite (MgCO 3 ·2H 2 O), in the layer. Rapid initial growth of the layer is also manifested in short-range bending/warping of nanocrystallites, resulting in multiple orientations of the same phases on the surface. The layer growth slowed down over time, indicating surface passivation. The formation of barringtonite and nesquehonite with 1:1 CO 3 /Mg ratio indicates an efficient carbonation when compared to other magnesium carbonate phases of lower ratio. Our results are essential for understanding surface passivation mechanisms and tackling the passivation issue of mineral looping DAC technology.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Frustrated charge density wave and quasi-long-range bond-orientational order in the magnetic kagome FeGe

The intrinsic frustrated nature of a kagome lattice is amenable to the realization of exotic phases of matter, such as quantum spin liquids or spin ices, and the multiple-q charge density waves (CDW) in the kagome metals. Despite intense efforts to understand the mechanism driving the electronic modulations, its origin is still unknown and obscured by competing interactions and intertwined orders. Here, we identify a dimerization-driven 2D hexagonal charge-diffuse precursor in the antiferromagnetic kagome metal FeGe and demonstrate that the fraction of dimerized/undimerized states is the relevant order parameter of the multiple-q CDW of a continuous phase transition. The pretransitional charge fluctuations with propagation vector q = q M at T CDW < T < T*(125 K) are anisotropic, hence holding a quasi-long-range bond-orientational order. The broken translational symmetry emerges from the anisotropic diffuse precursor, akin to the Ising scenario of antiferromagnetic triangular lattices. The temperature and momentum dependence of the critical scattering show parallels to the stacked hexatic B-phases reported in liquid crystals and transient states of CDWs and highlight the key role of the topological defect-mediated melting of the CDW in FeGe.

Subires, D. [Donostia International Physics Center↗
DOE OSTI2025

Identifying environmentally induced calibration changes in cryogenic RF axion detector systems using deep neural networks

The axion is a compelling hypothetical particle that could account for the dark matter in our universe while simultaneously solving the strong CP problem in quantum chromodynamics. The most sensitive axion detection technique demonstrated so far makes use of a high Q cavity immersed in a strong magnetic field, where axions are converted to microwave photons. This is called an axion haloscope and has primarily targeted the 1–10 GHz range. As searches scan up in axion mass, toward the parameter space favored by theoretical predictions, individual cavity sizes decrease in order to achieve higher frequencies. This shrinking cavity volume translates directly to a loss in signal-to-noise, motivating the plan to replace individual cavity detectors with arrays of cavities. When the transition from one to (N) multiple cavities occurs, haloscope searches are anticipated to become much more complicated to operate, requiring N times as many measurements but also the new requirement that N detectors operate in unison, which can be achieved by locking them to a common frequency. To offset this anticipated increase in detector complexity, we aim to develop new tools for diagnosing experiments using neural networks. Current experiments monitor scattering parameters of their receiver for periodically measuring cavity quality factor and coupling. However, off-resonant data remain relatively useless. In this paper, we ask if it is possible that off-resonant information contained in vector network analyzer scans could be used to diagnose equipment failures/anomalies and measure physical conditions (e.g., temperatures and ambient magnetic field). We demonstrate a proof-of-concept that AI techniques can help manage the complexity of an axion haloscope search for operators.

Engel, Andrew W. [Pacific Northwest National Labor↗
NASA NTRS1985

Multiple Raman up-conversion of radiation from pre-existing Langmuir turbulence

Little is known regarding the mechanisms involved in the production of radiation at frequencies which are much higher than the maximum plasma frequency in nonmagnetic plasmas. It is pointed out that radiation at high multiples of the plasma frequency has been observed in laser-pellet experiments, in relativistic beam-plasma interactions, and in low-energy beam-plasma interactions. Radiation at twice the plasma frequency can be produced by coalescence of two Langmuir waves. Another approach is based on radiation near the plasma frequency or its second harmonic, produced by instability or by external sources. Raman scatter from preexisting Langmuir turbulence is permitted repeatedly. At each step such scattering will produce frequency upshifts (anti-Stokes process) and downshifts (Stokes process). The present paper is concerned with this process. Attention is given to equilibrium spectra, analytic approximations, laser-plasma interaction and coherent radiation from relativistic electron beams.

Russell, D.↗
NASA NTRS2003

Some Remarks on GMRES for Transport Theory

We review some work on the application of GMRES to the solution of the discrete ordinates transport equation in one-dimension. We note that GMRES can be applied directly to the angular flux vector, or it can be applied to only a vector of flux moments as needed to compute the scattering operator of the transport equation. In the former case we illustrate both the delights and defects of ILU right-preconditioners for problems with anisotropic scatter and for problems with upscatter. When working with flux moments we note that GMRES can be used as an accelerator for any existing transport code whose solver is based on a stationary fixed-point iteration, including transport sweeps and DSA transport sweeps. We also provide some numerical illustrations of this idea. We finally show how space can be traded for speed by taking multiple transport sweeps per GMRES iteration. Key Words: transport equation, GMRES, Krylov subspace

Patton, Bruce W.↗
NASA NTRS2008

Absorption in Extended Inhomogeneous Clouds

The launch of several different sensors, including CloudSat, into the A-train constellation of satellites allows us for the first time to compute absorption that can occur in realistic vertically inhomogeneous clouds including multiple cloud decks. CloudSat data show that these situations are common. Therefore, understanding vertically inhomogeneous clouds is important from both climate and satellite atmospheric composition remote sensing perspectives. Satellite passive sensors that operate from the near IR to the UV often rely on radiative cloud pressures derived from absorption in oxygen bands (A, B, gamma, or O2-O2 bands) or from rotational-Raman scattering in order to retrieve information about atmospheric trace gases. The radiative cloud pressure is distinct from the physical cloud top derived from thermal infrared measurements. Therefore, the combination of information from different passive sensors yields some information about the cloud vertical profile. When either or both the clouds or atmospheric absorbers (trace gases and aerosols) are vertically inhomogeneous, the use of an effective cloud pressure derived from these approaches may lead to errors. Here, we focus on several scenarios (deep convective clouds and distinct two layer clouds) based on realistic cloud optical depth vertical profiles derived from the CloudSatfMODIS combination. We focus on implications for trace-gas column amount retrievals (specifically ozone and NO2) and derived surface UV irradiance from the Ozone Monitoring Instrument (OMI) on the Atrain Aura platform.

Joiner, Joanna↗
DOE OSTI2025

Multiple Carrier Generation at an Exceptionally Low Energy Threshold

Multiple carrier generation (MCG), a process wherein two or more carriers are generated from a single high-energy absorbed photon, holds immense promise for quantum sensing, metrology, low-threshold lasers, and photovoltaics. Despite its potential, MCG has faced obstacles such as low efficiency and a high threshold photon energy at least twice the band gap (2?Eg) of the semiconductor, limiting its application only to a class of materials with low Eg. Here, we present a new approach that overcomes this limitation by leveraging carrier-donor scattering to excite secondary electrons from donor states strategically positioned below the conduction band. Our method relies on strong Coulomb interaction, reduced dielectric screening, slow hot carrier cooling, and strictly follows the energy conservation rules. We experimentally demonstrated this idea in a model system of monolayer (1L) MoS2 by exploiting electron-donating chalcogen vacancy states. We observed an exceptionally low MCG threshold of ~1.12?Eg for the first time in 1L MoS2. Remarkably, the quantum yield can be further increased to >3 by increasing the photon energy to 1.65?Eg, representing a substantial advancement over existing methods. Our findings extend the horizon of MCG into next-generation high-performance optoelectronic devices with an on-demand operating spectral range spanning from infrared to ultraviolet.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS↗
DOE OSTI2022

Simultaneous quantification of uranium( VI ), samarium, nitric acid, and temperature with combined ensemble learning, laser fluorescence, and Raman scattering for real-time monitoring

In this work, laser-induced fluorescence spectroscopy (LIFS), Raman spectroscopy, and a stacked regression ensemble was developed for near real-time quantification of uranium(VI) (1–100 μg mL –1 ), samarium (0–200 μg mL –1 ) and nitric acid (0.1–4 M) with varying temperature (20 °C–45 °C). LIFS applications range from fundamental lab-scale studies to real-time process monitoring at industrial levels, such as nuclear reprocessing applications, provided the phenomena affecting the fluorescence spectrum are accounted for (e.g., absorption, quenching, complexation). Multiple chemometric models were examined and compared to a more traditional multivariate regression approach called partial least squares (PLS). Results obtained on synthetic samples selected using D-optimal experimental design indicated that a stacked regression method, which included ridge regression, random forest, PLS, and an eXtreme gradient boost algorithm, successfully measured uranium(VI) concentrations directly in nitric acid without measuring luminescence lifetimes or standard addition. The top model resulted in percent root-mean-square error of prediction values of 5.2, 1.9, 3.0, and 2.3% for U(VI), Sm 3+ , HNO 3 , and temperature, respectively. The approach may be useful for quantifying fluorescent fission products (e.g., Sm 3+ ) to provide information on burnup of irradiated nuclear fuel. This novel framework reinforces the applicability of LIFS for real-time applications in nuclear fuel cycle applications.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

Retrieval of energy spectra for all flavours of neutrinos from core-collapse supernova with multiple detectors

ABSTRACT We present a new method by which to retrieve energy spectrum for all falvours of neutrinos from core-collapse supernova (CCSN). In the retrieval process, we do not assume any analytic formulas to express the energy spectrum of neutrinos but rather take a direct way of spectrum reconstruction from the observed data; the singular value decomposition algorithm with a newly developed adaptive energy-gridding technique is adopted. We employ three independent reaction channels having different flavour sensitivity to neutrinos. Two reaction channels, inverse beta decay on proton and elastic scattering on electrons, from a water Cherenkov detector such as Super-Kamiokande (SK) and Hyper-Kamiokande (HK), and a charged current reaction channel with Argon from the Deep Underground Neutrino Experiment (DUNE) are adopted. Given neutrino oscillation models, we iteratively search the neutrino energy spectra at the CCSN source until they provide the consistent event counts in the three reaction channels. We test the capability of our method by demonstrating the spectrum retrieval to a theoretical neutrino data computed by our recent three-dimensional CCSN simulation. Although the energy spectrum with either electron-type or electron-type antineutrinos at the CCSN source has relatively large error compared to that of other species, the joint analysis with HK + DUNE or SK + DUNE will provide precise energy spectrum of all flavours of neutrinos at the source. Finally, we discuss perspectives for improvements of our method by using neutrino data of other detectors.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Manufactured solutions for an electromagnetic slot model

The accurate modeling of electromagnetic penetration is an important topic in computational electromagnetics. Electromagnetic penetration occurs through intentional or inadvertent openings in an otherwise closed electromagnetic scatterer, which prevent the contents from being fully shielded from external fields. To efficiently model electromagnetic penetration, aperture or slot models can be used with surface integral equations to solve Maxwell's equations. A necessary step towards establishing the credibility of these models is to assess the correctness of the implementation of the underlying numerical methods through code verification. Surface integral equations and slot models yield multiple interacting sources of numerical error and other challenges, which render traditional code-verification approaches ineffective. In this paper, we provide approaches to separately measure the numerical errors arising from these different error sources for the method-of-moments implementation of the electric-field integral equation with a slot model. Finally, we demonstrate the effectiveness of these approaches for a variety of cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

First measurement of the $Λ–Ξ$ interaction in proton–proton collisions at the LHC

The first experimental information on the strong interaction between $Λ$ and $Ξ$ - strange baryons is presented in this Letter. The correlation function of $Λ–Ξ$ - and $\overline{Λ}$ –$\overline{Ξ}$ + pairs produced in high-multiplicity proton–proton (pp) collisions at $\sqrt{s}$=13 TeV at the LHC is measured as a function of the relative momentum of the pair. The femtoscopy method is used to calculate the correlation function, which is then compared with theoretical expectations obtained using a meson exchange model, chiral effective field theory, and Lattice QCD calculations close to the physical point. Data support predictions of small scattering parameters while discarding versions with large ones, thus suggesting a weak $Λ–Ξ$ - interaction. The limited statistical significance of the data does not yet allow one to constrain the effects of coupled channels like $Σ–Ξ$ and $N–Ω$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Many-Exciton Quantum Dynamics in a Ruddlesden–Popper Tin Iodide

We present a study on the many-body exciton interactions in a Ruddlesden–Popper tin halide, namely, (PEA) 2 SnI 4 (PEA = phenylethylammonium), using coherent two-dimensional electronic spectroscopy. The optical dephasing times of the third-order polarization observed in these systems are determined by exciton many-body interactions and lattice fluctuations. We investigate the excitation-induced dephasing (EID) and observe a significant reduction of the dephasing time with increasing excitation density as compared to its lead counterpart (PEA) 2 PbI 4 , which we have previously reported in a separate publication [J. Chem. Phys. 2020, 153, 164706]. Surprisingly, we find that the EID interaction parameter is four orders of magnitude higher in (PEA) 2 SnI 4 than that in (PEA) 2 PbI 4 . This increase in the EID rate may be due to exciton localization arising from a more statically disordered lattice in the tin derivative. This is supported by the observation of multiple closely spaced exciton states and the broadening of the linewidth with increasing population time (spectral diffusion), which suggests a static disordered structure relative to the highly dynamic lead-halide. Additionally, we find that the exciton nonlinear coherent lineshape shows evidence of a biexcitonic state with low binding energy (<10 meV) not observed in the lead system. We model the lineshapes based on a stochastic scattering theory that accounts for the interaction with a nonstationary population of dark background excitations. Our study provides evidence of differences in the exciton quantum dynamics between tin- and lead-based Ruddlesden–Popper metal halides (RPMHs) and links them to the exciton–exciton interaction strength and the static disorder aspect of the crystalline structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Consistency of cosmic shear analyses in harmonic and real space

ABSTRACT Recent cosmic shear studies have reported discrepancies of up to 1σ on the parameter ${S_{8}=\sigma _{8}\sqrt{{\Omega _{\rm m}}/0.3}}$ between the analysis of shear power spectra and two-point correlation functions, derived from the same shear catalogues. It is not a priori clear whether the measured discrepancies are consistent with statistical fluctuations. In this paper, we investigate this issue in the context of the forthcoming analyses from the third year data of the Dark Energy Survey (DES Y3). We analyse DES Y3 mock catalogues from Gaussian simulations with a fast and accurate importance sampling pipeline. We show that the methodology for determining matching scale cuts in harmonic and real space is the key factor that contributes to the scatter between constraints derived from the two statistics. We compare the published scales cuts of the KiDS, Subaru-HSC, and DES surveys, and find that the correlation coefficients of posterior means range from over 80 per cent for our proposed cuts, down to 10 per cent for cuts used in the literature. We then study the interaction between scale cuts and systematic uncertainties arising from multiple sources: non-linear power spectrum, baryonic feedback, intrinsic alignments, uncertainties in the point spread function, and redshift distributions. We find that, given DES Y3 characteristics and proposed cuts, these uncertainties affect the two statistics similarly; the differential biases are below a third of the statistical uncertainty, with the largest biases arising from intrinsic alignment and baryonic feedback. While this work is aimed at DES Y3, the tools developed can be applied to Stage-IV surveys where statistical errors will be much smaller.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2008

Broadband Lidar Technique for Precision CO2 Measurement

Presented are preliminary experimental results, sensitivity measurements and discuss our new CO2 lidar system under development. The system is employing an erbium-doped fiber amplifier (EDFA), superluminescent light emitting diode (SLED) as a source and our previously developed Fabry-Perot interferometer subsystem as a detector part. Global measurement of carbon dioxide column with the aim of discovering and quantifying unknown sources and sinks has been a high priority for the last decade. The goal of Active Sensing of CO2 Emissions over Nights, Days, and Seasons (ASCENDS) mission is to significantly enhance the understanding of the role of CO2 in the global carbon cycle. The National Academy of Sciences recommended in its decadal survey that NASA put in orbit a CO2 lidar to satisfy this long standing need. Existing passive sensors suffer from two shortcomings. Their measurement precision can be compromised by the path length uncertainties arising from scattering within the atmosphere. Also passive sensors using sunlight cannot observe the column at night. Both of these difficulties can be ameliorated by lidar techniques. Lidar systems present their own set of problems however. Temperature changes in the atmosphere alter the cross section for individual CO2 absorption features while the different atmospheric pressures encountered passing through the atmosphere broaden the absorption lines. Currently proposed lidars require multiple lasers operating at multiple wavelengths simultaneously in order to untangle these effects. The current goal is to develop an ultra precise, inexpensive new lidar system for precise column measurements of CO2 changes in the lower atmosphere that uses a Fabry-Perot interferometer based system as the detector portion of the instrument and replaces the narrow band laser commonly used in lidars with the newly available high power SLED as the source. This approach reduces the number of individual lasers used in the system from three or more to one - considerably reducing the risk of failure. It also tremendously reduces the requirement for wavelength stability in the source putting this responsibility instead on the Fabry-Perot subsystem.

Heaps, William S.↗
NASA NTRS2014

Release 2 data products from the Ozone Mapping and Profiler Suite (OMPS) Limb Profiler

The OMPS Limb Profiler (LP) was launched on board the NASA Suomi National Polar-orbiting Partnership (SNPP) satellite in October 2011. OMPS-LP is a limb-scattering hyperspectral sensor that provides ozone profiling capability at 1.5 km vertical resolution from cloud top to 60 km altitude. The use of three parallel slits allows global coverage in approximately four days. We have recently completed a full reprocessing of all LP data products, designated as Release 2, that improves the accuracy and quality of these products. Level 1 gridded radiance (L1G) changes include intra-orbit and seasonal correction of variations in wavelength registration, revised static and intra-orbit tangent height adjustments, and simplified pixel selection from multiple images. Ozone profile retrieval changes include removal of the explicit aerosol correction, exclusion of channels contaminated by stratospheric OH emission, a revised instrument noise characterization, improved synthetic solar spectrum, improved pressure and temperature ancillary data, and a revised ozone climatology. Release 2 data products also include aerosol extinction coefficient profiles derived with the prelaunch retrieval algorithm. Our evaluation of OMPS LP Release 2 data quality is good. Zonal average ozone profile comparisons with Aura MLS data typically show good agreement, within 5-10% over the altitude range 20-50 km between 60 deg S and 60 deg N. The aerosol profiles agree well with concurrent satellite measurements such as CALIPSO and OSIRIS, and clearly detect exceptional events such as volcanic eruptions and the Chelyabinsk bolide in February 2013.

Limb scatter↗
DOE OSTI2025

Criticality and Magnetic Phases of Ising Shastry–Sutherland Candidate Holmium Tetraboride

Frustrated magnetic systems arising in geometrically constrained lattices represent rich platforms for exploring unconventional phases of matter, including fractional magnetization plateaus, incommensurate orders and complex domain dynamics. However, determining the microscopic spin configurations that stabilize such phases is a key challenge, especially when in-plane and out-of-plane spin components coexist and compete. Here, we combine neutron scattering and magnetic susceptibility experiments with simulations to investigate the emergence of field-induced fractional plateaus and the related criticality in a frustrated magnet holmium tetraboride (HoB 4 ) that represents the family of rare earth tetraborides that crystalize in a Shastry–Sutherland lattice in the ab plane. We focus on the interplay between classical and quantum criticality near phase boundaries, as well as the role of material defects in the stabilization of the ordered phases. We find that simulations using classical annealing can explain certain observed features in the experimental Laue diffraction and the origin of multiple magnetization plateaus. Our results show that defects and out-of-plane interactions play an important role and can guide the route towards resolving microscopic spin textures in highly frustrated magnets.

Frustration↗
DOE OSTI2025

Effective field theory factorization for diffraction

We derive a factorization formula for coherent and incoherent ep diffraction using the soft collinear effective theory, utilizing multiple power expansion parameters to handle different kinematic regions. This goes beyond the known hard-collinear diffractive factorization to address the small-x Regge dynamics and Pomeron exchange from first principles. The effective field theory analysis also uncovers and factorizes an important irreducible incoherent background generated by color-nonsinglet exchange, dubbed “quasi-diffraction”, for which we calculate the associated Sudakov suppression. For unpolarized scattering we show that there are four diffractive structure functions at leading power, and point out the importance of studying ${F}_{3,4}^D$ through asymmetries, in addition to ${F}_{2,L}^D$. For the quasi-diffractive background, we make model independent predictions for ratios of the corresponding structure functions in a perturbative kinematic region. Our analysis also makes predictions for six leading-power spin-dependent structure functions. Finally, we provide connections to diffractive parton distributions, and assess the Ingelman-Schlein model. Our work lays a path for further QCD-based studies of diffraction.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗