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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

CMB-PAInT: An inpainting tool for the cosmic microwave background

Abstract The presence of astrophysical emissions in microwave observations forces us to perform component separation to extract the Cosmic Microwave Background (CMB) signal. However, even in the most optimistic cases, there are still strongly contaminated regions, such as the Galactic plane or those with emission from extragalactic point sources, which require the use of a mask. Since many CMB analyses, especially the ones working in harmonic space, need the whole sky map, it is crucial to develop a reliable inpainting algorithm that replaces the values of the excluded pixels by others statistically compatible with the rest of the sky. This is especially important when working withQandUsky maps in order to obtainE- andB-mode maps which are free fromE-to-Bleakage. In this work we study a method based on Gaussian Constrained Realizations (GCR), that can deal with both intensity and polarization. Several tests have been performed to asses the validation of the method, including the study of the one-dimensional probability distribution function (1-PDF),E- andB-mode map reconstruction, and power spectra estimation. We have considered two scenarios for the input simulation: one case with only CMB signal and a second one including also Planck PR4 semi-realistic noise. Even if we are limited to low resolution maps, N side = 64 ifT,QandUare considered, we believe that this is a useful approach to be applied to future missions such as LiteBIRD, where the target are the largest scales.

Astronomy & Astrophysics↗
DOE OSTI2025

Cosmological perturbation theory for large scale structure in phase space

We develop a framework for Large Scale Structure (LSS) perturbation theory, that solves the Vlasov-Poisson system of equations for the distribution function in full phase space. This approach relaxes the usual apriori assumption of negligible velocity dispersion underlying the Standard Perturbation Theory (SPT). We apply the new method to rederive the usual SPT kernels up to third order in the perturbative expansion. We also show that a counterterm, identical to the one introduced by standard Effective Field Theory (EFT) methods, naturally arises within our framework. We finish by making a precise connection to EFT techniques, which reveals the necessity of the EFTofLSS to self-consistently model the long-wavelength fluid, and illustrates the importance of having theoretical control over short distance fluctuations.

Cosmological perturbation theory in GR and beyond↗
DOE OSTI2022

A Conditional Autoencoder for Galaxy Photometric Parameter Estimation

Astronomical photometric surveys routinely image billions of galaxies, and traditionally infer the parameters of a parametric model for each galaxy. This approach has served us well, but the computational expense of deriving a full posterior probability distribution function is a challenge for increasingly ambitious surveys. In this paper, we use deep learning methods to characterize galaxy images, training a conditional autoencoder on mock data. The autoencoder can reconstruct and denoise galaxy images via a latent space engineered to include semantically meaningful parameters, such as brightness, location, size, and shape. Our model recovers galaxy fluxes and shapes on mock data with a lower variance than the Hyper Suprime-Cam photometry pipeline, and returns reasonable answers even for inputs outside the range of its training data. When applied to data in the training range, the regression errors on all extracted parameters are nearly unbiased with a variance near the Cramr-Rao bound.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The Sensitivity of GPz Estimates of Photo-z Posterior PDFs to Realistically Complex Training Set Imperfections

The accurate estimation of photometric redshifts is crucial to many upcoming galaxy surveys, for example, the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST). Almost all Rubin extragalactic and cosmological science requires accurate and precise calculation of photometric redshifts; many diverse approaches to this problem are currently in the process of being developed, validated, and tested. In this work, we use the photometric redshift code GPz to examine two realistically complex training set imperfections scenarios for machine learning based photometric redshift calculation: (i) where the spectroscopic training set has a very different distribution in color–magnitude space to the test set, and (ii) where the effect of emission line confusion causes a fraction of the training spectroscopic sample to not have the true redshift. By evaluating the sensitivity of GPz to a range of increasingly severe imperfections, with a range of metrics (both of photo-z point estimates as well as posterior probability distribution functions, PDFs), we quantify the degree to which predictions get worse with higher degrees of degradation. In particular, we find that there is a substantial drop-off in photo-z quality when line-confusion goes above ~1%, and sample incompleteness below a redshift of 1.5, for an experimental setup using data from the Buzzard Flock synthetic sky catalogs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Investigation of mode activity in NBI-heated experiments of Wendelstein 7-X

The 2018 operation phase (OP 1.2b) of the stellarator Wendelstein 7-X (W7-X) included, for the first time, neutral beam injection (NBI) to heat the plasma. Since the injection geometry at W7-X is not parallel, this generates both passing and trapped fast particles. During longer phases of NBI injection, with the primary purpose to study the heating efficiency of this system, Alfvén eigenmodes (AEs) were observed by a number of diagnostics, including the phase contrast imaging (PCI) system, the magnetic pick-up coils (Mirnov coils), and the soft x-ray multi-camera tomography system (XMCTS). Alfvén eigenmodes are of great interest for future fusion reactors as it has been shown that the resonant interaction of fast ions with self-excited AEs can lead to enhanced transport of fast ions and potentially to energy losses. This is especially true for so-called gap-modes, Alfvén eigenmodes with frequencies in gaps of the continuous spectrum, since they lack continuum damping. These modes are commonly known to be excited by fast ions, but other destabilizing mechanisms, e.g. the electron-pressure gradient are also possible. In this article we present a first analysis of the experimentally observed frequencies from the theoretical side. The calculation of shear Alfvén wave continua for selected cases and the assignment of observed frequencies to the gaps of the continuous spectra are presented. Using the ideal-MHD code CKA (Könies A. 2007 10th IAEA TM on Energetic Particles in Magnetic Confinement System), we find gap modes that match the experimental measurements in terms of the observed frequencies. We emphasize the crucial roles played by the coupling of sound and Alfvén waves as well as of the Doppler shift arising as a consequence of the radial electric field in W7-X. We employ the perturbative gyrokinetic code CKA-EUTERPE (Feh´er 2013 Simulation of the interaction between Alfv´en waves and fast particles), using a slowing-down distribution function for the fast ions as calculated by the Monte-Carlo particle following code ASCOT (Hirvijoki et al 2014 Comput. Phys. Commun. 185 1310–21) to assess the fast-ion drive. Here we find that the fast-ion drive is insufficient to overcome the background-plasma damping. The fact that unstable modes were observed experimentally may point to problems with the modelling or indicate the existence of other destabilizing mechanisms, e.g. associated with the electron-pressure gradient (Windisch et al 2017 Plasma Phys. Control. Fusion 59 105002) that sensitively depend on the profiles of the background plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Cold-hot coupled waves in a flowing magnetized plasma

Abstract Nonlinear coupling of cold and hot waves in a flowing magnetized plasma is analyzed with the Vlasov equation. An analytical solution is obtained for cold waves of a small amplitude (weak flow) and a long wavelength. The distribution function is obtained by integrating the kinetic equation along a perturbed phase-space trajectory for a time-varying plasma flow. The kinetic description presents a generalized dispersion relation that involves resonances depending on cold and hot wave dispersions. Coherent fluid motion leads to radiation peaks in addition to the cyclotron harmonics, where the wavenumber of the cold wave determines the peak frequencies. The peaks appear narrow when the wave propagates perpendicular to the time-averaged flow while they become broad due to the Doppler effect when the wave propagates parallel to the flow. Fully kinetic particle-in-cell simulations corroborate the theoretical predictions. The dispersion relation and resulting wave spectra provide information about plasma parameters and flow properties.

Physics↗
DOE OSTI2021

Compressional Alfvén eigenmodes excited by runaway electrons

Compressional Alfvén eigenmodes (CAEs) driven by energetic ions have been observed in magnetic fusion experiments. In this paper, we show that the modes can also be driven by runaway electrons formed in post-disruption plasma, which may explain kinetic instabilities observed in DIII-D disruption experiments with massive gas injection. The spatial structure is calculated, as are the frequencies which are in agreement with experimental observations. Using a runaway electron distribution function obtained from a kinetic simulation, the mode growth rates are calculated and found to exceed the collisional damping rate when the runaway electron density exceeds a threshold value. The excitation of CAEs poses a new possible approach to mitigate seed runaway electrons during the current quench and surpassing the avalanche.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Beam modulation and bump-on-tail effects on Alfvén eigenmode stability in DIII-D

Beam modulation effects on Alfvén eigenmode stability have been investigated in a recent DIII-D experiment and show that variations in neutral beam modulation period can have an impact on the beam driven Alfvén eigenmode spectrum and resultant fast ion transport despite similar time-averaged input power. The experiment was carried out during the current ramp phase of L-mode discharges heated with sub-Alfvénic 50–80 kV deuterium neutral beams that drive a variety of Alfvén eigenmodes unstable. The modulation period of two interleaved beams with different tangency radii was varied from shot to shot in order to modify the relative time dependent mix of the beam pitch angle distribution as well as the persistence of a bump-on-tail feature near the injection energy (a feature confirmed by imaging neutral particle analyzer measurements). As the beam modulation period is varied from 7 ms to 30 ms on/off (typical full energy slowing down time of τ slow ≈ 50 ms at mid-radius), toroidicity-induced Alfvén eigenmodes (TAEs) located in the outer periphery of the plasma become intermittent and coincident with the more tangential beam. Core mode activity changes from reversed shear Alfvén eigenmodes (RSAEs) to a mix of RSAE and beta-induced Alfvén eigenmodes. Discharges with 30 ms on/off period do not have a persistent bump-on-tail feature, have the lowest average mode amplitude and least fast ion transport. Furthermore, detailed analysis of an individual TAE using TRANSP kick modeling (Monte Carlo evolution of the distribution function with probabilistic 'kicks' by the AEs) and the resistive MHD code with kinetic fast ions, MEGA, find no strong role of energy gradient drive due to bump-on-tail features. Instead, the observed TAE modulation with interleaved beams is likely a pitch angle dependent result combined with slowing down of the tangential beam between pulses. For the conditions investigated, bump-on-tail contributions to TAE drive were found to be 5% or less of the total drive at any given time.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Simulation of convective transport during frequency chirping of a TAE using the MEGA code

Here, we present a procedure to examine energetic particle phase-space during long range frequency chirping phenomena in tokamak plasmas. To apply the proposed method, we have performed self-consistent simulations using the MEGA code and analyzed the simulation data. We demonstrate a traveling wave in phase-space and that there exist specific slices of phase-space on which the resonant particles lie throughout the wave evolution. For non-linear evolution of an n = 6 toroidicity-induced Alfvén eigenmode (TAE), our results reveal the formation of coherent phase-space structures (holes/clumps) after coarse-graining of the distribution function. These structures cause a convective transport in phase-space which implies a radial drift of the resonant particles. We also demonstrate that the rate of frequency chirping increases with the TAE damping rate. Our observations of the TAE behavior and the corresponding phase-space dynamics are consistent with the Berk–Breizman theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Parallel transport modeling of linear divertor simulators with fundamental ion cyclotron heating *

Abstract The Material Plasma Exposure eXperiment (MPEX) is a steady state linear device with the goal to perform plasma material interaction studies at future fusion reactor relevant conditions. A prototype of MPEX referred as ‘Proto-MPEX’ is designed to carry out research and development related to source, heating and transport concepts on the planned full MPEX device. The auxiliary heating schemes in MPEX are based on cyclotron resonance heating with radio frequency (RF) waves. Ion cyclotron heating (ICH) and electron cyclotron heating in MPEX are used to independently heat the ions and electrons and provide fusion divertor conditions ranging from sheath-limited to fully detached divertor regimes at a material target. A hybrid particle-in-cell code- PICOS++ is developed and applied to understand the plasma parallel transport during ICH in MPEX/Proto-MPEX to the target. With this tool, evolution of the distribution function of MPEX/Proto-MPEX ions is modeled in the presence of (a) Coulomb collisions, (b) volumetric particle sources and (c) quasi-linear RF-based ICH. The code is benchmarked against experimental data from Proto-MPEX and simulation data from B2.5 EIRENE. The experimental observation of ‘density-drop’ near the target in Proto-MPEX and MPEX during ICH is demonstrated and explained via physics-based arguments using PICOS++ modeling. In fact, the density drops at the target during ICH in Proto-MPEX/MPEX to conserve the flux and to compensate for the increased flow during ICH. Furthermore, sensitivity scans of various plasma parameters with respect to ICH power are performed for MPEX to investigate its role on plasma transport and particle and energy fluxes at the target.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Analysis of fusion alphas interaction with RF waves in D-T plasma at JET

This work studies the influence of RF waves in ICRH range of frequency on fusion alphas during the recent JET D-T campaign. Fusion alphas from D-T reactions are born with energies of about 3.5MeV and therefore have significant Doppler shift enabling synergistic interaction between them and RF waves at broad range of frequencies including the ones foreseen for future fusion machines ITER and SPARC. Resonant interaction between RF waves and alphas, also called synergistic effects, will modify the alpha distribution and ultimately will have an impact on alpha orbit losses and heating. Data from JET 3.43T/2.3MA pulses based on the hybrid scenario during the DTE2 campaign were used for the analysis in this study. The impact of synergistic effects on alpha orbit losses and alpha heating is assessed. Conclusions are based on analysis of experimental data for fast alphas losses, i.e. measurements from neutral particle analyser, fast ion losses scintillator detector, Faraday cups, and TRANSP simulations. Experimental data and TRANSP analysis indicate that there are indeed changes in the alphas' distribution function due to interaction with RF waves. Data from the scintillator detector and the Faraday cups were compared for pulses with and without ICRH power and versus cases with enhanced alpha losses due to MHD activities. The trends from these diagnostics consistently show no additional alpha losses due to interaction with RF waves. TRANSP predictions for the impact of the synergistic effects on alpha heating show up to 42% increase in alpha electron heating and up to 25% increase in alpha ion heating. These effects however become negligibly small, less than 1%, when alpha heating is compared to the total auxiliary hearting power in the investigated JET pulses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Etched Silicon Planar CRL Optics for the High-Energy X-ray Diffraction Beamlines 11-ID-B and 11-ID-C at the APS

We report the focusing of high-energy X-rays is most commonly achieved by commercially available compound refractive lenses (CRL), which are added together in larger structures. There is a need for high-energy X-ray beamlines to enable focusing in only one dimension down to a few micrometers to study layered materials and thin films. High-energy X-rays above 50 keV require often 100 lenses or more, therefore it is more efficient to etch the complete arrays of lenses into a monolithic substrate like a silicon wafer. Custom lens arrays were fabricated for the high-energy x-ray beamlines 11-ID-B, and 11-ID-C at the Argonne National Laboratory. The fabrication required tuning parameters of the Bosch process to optimize the etching of deep vertical sidewalls at a reasonable speed without overheating. The beamline 11-ID-B is equipped with lens arrays of 85-110 lenses for 59 keV and 190-250 lenses for 87 keV photon energy, focusing the beam vertically below 5.0 µm at the sample positions between 1600 mm to 2100 mm. 11-ID-C has received arrays of 435 lenses that focus 106 keV X-rays to a vertical height of 2.0 µm at the sample position. In both cases, the flux density gain in the focal spot is larger than a factor of 20, relative to using slits to cut the beam size. The lens setup is permanently installed and can be moved in and out of the beam during the experiment without further alignment. The lenses have enabled operando diffraction studies on interfaces in batteries and the development of pair distribution function (PDF) analysis using grazing incidence geometry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Accelerating LHC event generation with simplified pilot runs and fast PDFs

High-precision calculations are an indispensable ingredient for the success of the LHC physics programme, yet their poor computing efficiency has been a growing cause for concern, threatening to become a paralysing bottleneck in the coming years. We present solutions to eliminate the apprehension by focussing on two major components of generalpurpose Monte Carlo event generators: the evaluation of parton distribution functions, and the generation of perturbative matrix elements. We show that for the cost-driving event samples employed by the ATLAS experiment to model omnipresent, irreducible Standard Model backgrounds, such as weak boson or top-quark pair production in association with jets, these computational components dominate the overall run time by up to 80 %. We demonstrate that a reduction of the computing footprint of LHAPDF and SHERPA by factors of around 40 can be achieved for multi-leg NLO event generation.

Bothmann, Enrico [Gottingen U.]↗
DOE OSTI2025

LTAU-FF: Loss Trajectory Analysis for Uncertainty in atomistic Force Fields

Model ensembles are effective tools for estimating prediction uncertainty in deep learning atomistic force fields. However, their widespread adoption is hindered by high computational costs and overconfident error estimates. In this work, we address these challenges by leveraging distributions of per-sample errors obtained during training and employing a distance-based similarity search in the model latent space. Our method, which we call LTAU (Loss Trajectory Analysis for Uncertainty), efficiently estimates the full probability distribution function of errors for any test point using the logged training errors, achieving speeds that are 2–3 orders of magnitudes faster than typical ensemble methods and allowing it to be used for tasks where training or evaluating multiple models would be infeasible. We apply LTAU towards estimating parametric uncertainty in atomistic force fields (LTAU-FF), demonstrating that it produces well-calibrated confidence intervals and predicts errors that correlate strongly with the true errors for data near the training domain. Furthermore, we show that the errors predicted by LTAU-FF can be used in practical applications for detecting out-of-domain data, tuning model performance, and predicting failure during simulations. We believe that LTAU will be a valuable tool for uncertainty quantification in atomistic force fields and is a promising method that should be further explored in other domains of machine learning.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Global Sensitivity Analysis of a Reactive Transport Model for Mineral Scale Formation During Hydraulic Fracturing

Injection of water-based hydraulic fracturing fluid (HFF) into tight shale gas/oil formations can increase formation permeability and enhance production rates, but this process frequently causes mineral scale formation that can occlude pore space and hinder flow. To identify the most important factors that control the formation of mineral scales, we applied a novel global sensitivity analysis method—distance-based generalized sensitivity analysis (DGSA)—to a reactive transport model (RTM) that was previously built and calibrated to simulate precipitation of barite [BaSO4] and iron (hydr)oxide [Fe(OH) 3 ] in shale matrices and on fracture surfaces. Reactive transport simulations were run with model parameters randomly sampled based on assigned uncertainties. Modeling results for barite and Fe(OH)3 formation were clustered using machine-learning algorithms. A list of ranked critical input parameters was obtained after statistical quantification of cumulative distribution functions of input parameters. We found that barite formation is most sensitive to the rate of sulfate ion generation, which is determined by the pyrite dissolution rate coefficient and oxidant availability. In addition, barite formation is sensitive to the initial amounts of barite in HFF and shale, followed by barite thermodynamics/kinetics. For Fe(OH) 3 formation, the ranked factors are Fe(OH)3 precipitation rate coefficients, initial HFF pH, initial Fe(OH) 3 amount in HFF, and oxidant availability. Overall, our results provide insights into managing mineral scale formation during hydraulic fracturing to enhance production. Meanwhile, this study serves as an example of global sensitivity analysis of RTMs using the efficient, straightforward, and open-source DGSA method.

58 GEOSCIENCES↗
DOE OSTI2025

Towards Mitigating Electron Beam-Induced Damage in MOFs Using Low Dose Electron Microscopy for In-Situ Room-Temperature Measurements

Metal-Organic Frameworks (MOFs) have emerged as a versatile class of materials with applications in gas storage and separation, catalysis, and drug delivery [1]. Understanding their damage mechanisms in under various environmental conditions is crucial for optimizing performance and stability [2]. This study employs a combination of Length Structural Coherence (LSC) analysis in electron scattering and Electron Energy Loss Spectroscopy (EELS) to elucidate the damage mechanisms in two representative MOFs. MIL101(Fe), and MIL101(Cr). Here, the primary objective is to reveal structural and chemical changes that occur under electron beam irradiation in Scanning Transmission Electron Microscopy (STEM), both in the pristine state and during in-situ CO and CO 2 adsorption. By combining LSC in Radial Distribution Function (RDF) analysis with EELS, comprehensive insights into the nanoscale alterations are obtained and correlated to the electron dose rate.

dos Santos, Gabriel T. [Northwestern University, E↗
DOE OSTI2020

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

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

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Compact galaxies and the size–mass galaxy distribution from a colour-selected sample at 0.04 < z < 0.15 supplemented by ugrizYJHK photometric redshifts

ABSTRACT The size–mass galaxy distribution is a key diagnostic for galaxy evolution. Massive compact galaxies are potential surviving relics of a high-redshift phase of star formation. Some of these could be nearly unresolved in Sloan Digital Sky Survey (SDSS) imaging and thus not included in galaxy samples. To overcome this, a sample was selected from the combination of SDSS and UKIRT Infrared Deep Sky Survey (UKIDSS) photometry to r < 17.8. This was done using colour–colour selection, and then by obtaining accurate photometric redshifts (photo-z) using scaled flux matching (SFM). Compared to spectroscopic redshifts (spec-z), SFM obtained a 1σ scatter of 0.0125 with only 0.3 per cent outliers (|Δln (1 + z)| > 0.06). A sample of 163 186 galaxies was obtained with 0.04 < z < 0.15 over $2300\, {\rm deg}^2$ using a combination of spec-z and photo-z. Following Barro et al. log Σ1.5 = log M* − 1.5log r50, maj was used to define compactness. The spectroscopic completeness was 76 per cent for compact galaxies (log Σ1.5 > 10.5) compared to 92 per cent for normal-sized galaxies. This difference is primarily attributed to SDSS ‘fibre collisions’ and not the completeness of the main galaxy sample selection. Using environmental overdensities, this confirms that compact quiescent galaxies are significantly more likely to be found in high-density environments compared to normal-sized galaxies. By comparison with a high-redshift sample from 3D-HST, log Σ1.5 distribution functions show significant evolution, with this being a compelling way to compare with simulations such as EAGLE. The number density of compact quiescent galaxies drops by a factor of about 30 from z ∼ 2 to log (n/Mpc−3) = − 5.3 ± 0.4 in the SDSS–UKIDSS sample. The uncertainty is dominated by the steep cut off in log Σ1.5, which is demonstrated conclusively using this complete sample.

Baldry, Ivan K.↗