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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Bayesian Exploration and Surrogate Emulation of Nonlinear Beam-Response Geometry in the LBNF Beamline

Next-generation long-baseline neutrino experiments aim to achieve multi-MW proton beam power while reducing accelerator-induced systematic uncertainties. At Fermilab, the LBNF beamline is designed for 1.2 MW operation with PIP-II and is upgradeable to 2.4 MW. DUNE will probe the three-flavor neutrino paradigm and search for CP violation, requiring precise neutrino-flux normalization and improved control of accelerator-related uncertainties. Within the LBNF beamline, the System for On-Axis Neutrino Detection (SAND) will constrain flux uncertainties using precision near-detector measurements, while the Muon Monitor System (MuMS) will provide beamline diagnostics sensitive to the proton beam, target, and horn configuration. However, the pion phase space relevant for DUNE depends simultaneously on many correlated parameters, including beam centroid, beam width, horn current and alignment, target position, optics shifts, and radiation-induced changes. Consequently, MuMS observables exhibit nonlinear and coupled responses that are difficult to characterize using traditional one-parameter scans. To address this challenge, we are developing a Bayesian Exploration framework coupled to physics-informed surrogate emulators trained on Geant4 beamline simulations. Gaussian-process emulators provide both fast predictions and uncertainty estimates, enabling adaptive selection of new simulation points in beam-parameter space. As an initial demonstration, we construct surrogate emulators for MuMS response observables using a verified simulation campaign spanning proton-beam steering conditions. The emulators reproduce the simulated dependence of MuMS centroid and gradient observables while providing predictive uncertainties, and serve as the foundation for future multidimensional exploration including beam width, horn current, and additional beamline parameters. This work establishes a framework for uncertainty-aware beam monitoring, adaptive simulation campaigns, and rapid beam-response inference for future DUNE operations.

Ganguly, Sudeshna [Fermilab] (ORCID:00000003163482↗
DOE OSTI2021

Data compression and covariance matrix inspection: Cosmic shear

Covariance matrices are among the most difficult pieces of end-to-end cosmological analyses. In principle, for two-point functions, each component involves a four-point function, and the resulting covariance often has hundreds of thousands of elements. We investigate various compression mechanisms capable of vastly reducing the size of the covariance matrix in the context of cosmic shear statistics. This helps identify which of its parts are most crucial to parameter estimation. We start with simple compression methods, by isolating and “removing” 200 modes associated with the lowest eigenvalues, then those with the lowest signal-to-noise ratio, before moving on to more sophisticated schemes like compression at the tomographic level and, finally, with the massively optimized parameter estimation and data compression (MOPED). We find that, while most of these approaches prove useful for a few parameters of interest, like Ω m , the simplest yield a loss of constraining power on the intrinsic alignment (IA) parameters as well as S 8 . For the case considered—cosmic shear from the first year of data from the Dark Energy Survey—only MOPED was able to replicate the original constraints in the 16-parameter space. Finally, we apply a tolerance test to the elements of the compressed covariance matrix obtained with MOPED and confirm that the IA parameter A IA is the most susceptible to inaccuracies in the covariance matrix.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

First Search for Dark Sector 𝑒 + ⁢𝑒 − Explanations of the MiniBooNE Anomaly at MicroBooNE

We present MicroBooNE’s first search for dark sector 𝑒 + ⁢𝑒 − explanations of the long-standing MiniBooNE anomaly. The MiniBooNE anomaly has garnered significant attention over the past 20 years including previous MicroBooNE investigations into both anomalous electron and photon excesses, but its origin still remains unclear. In this Letter, we provide the first direct test of dark sector models in which dark neutrinos, produced through neutrino-induced scattering, decay into missing energy and visible 𝑒 + ⁢𝑒 − pairs comprising the MiniBooNE anomaly. Many such models have recently gained traction as a viable solution to the anomaly while evading past bounds. Using an exposure of 6.87 × 10 20 protons-on-target in the Booster Neutrino Beam, we implement a selection targeting forward-going, coherently produced 𝑒 + ⁢𝑒 − events. After unblinding, we observe 95 events, which we compare with the constrained background-only prediction of 69.7 ±17.3. This analysis sets the world’s first direct limits on these dark sector models and, at the 95% confidence level, excludes the entirety of the single dark neutrino and majority of the dual dark neutrino, parameter space that is viable as a solution to the MiniBooNE anomaly.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Modeling neutrino-induced scale-dependent galaxy clustering for photometric galaxy surveys

Abstract The increasing statistical precision of photometric redshift surveys requires improved accuracy of theoretical predictions for large-scale structure observables to obtain unbiased cosmological constraints. In ΛCDM cosmologies, massive neutrinos stream freely at small cosmological scales, suppressing the small-scale power spectrum. In massive neutrino cosmologies, galaxy bias modeling needs to accurately relate the scale-dependent growth of the underlying matter field to observed galaxy clustering statistics. In this work, we implement a computationally efficient approximation of the neutrino-induced scale-dependent bias (NISDB). Through simulated likelihood analyses of Dark Energy Survey Year 3 (DESY3) and Legacy Survey of Space and Time Year 1 (LSSTY1) synthetic data that contain an appreciable NISDB, we examine the impact of linear galaxy bias and neutrino mass modeling choices on cosmological parameter inference. We find model misspecification of the NISDB approximation and neutrino mass models to decrease the constraining power of photometric galaxy surveys and cause parameter biases in the cosmological interpretation of future surveys. We quantify these biases and devise mitigation strategies.

Astronomy & Astrophysics↗
DOE OSTI2022

AutoEnRichness: A hybrid empirical and analytical approach for estimating the richness of galaxy clusters

ABSTRACT We introduce AutoEnRichness, a hybrid approach that combines empirical and analytical strategies to determine the richness of galaxy clusters (in the redshift range of 0.1 ≤ z ≤ 0.35) using photometry data from the Sloan Digital Sky Survey Data Release 16, where cluster richness can be used as a proxy for cluster mass. In order to reliably estimate cluster richness, it is vital that the background subtraction is as accurate as possible when distinguishing cluster and field galaxies to mitigate severe contamination. AutoEnRichness is comprised of a multistage machine learning algorithm that performs background subtraction of interloping field galaxies along the cluster line of sight and a conventional luminosity distribution fitting approach that estimates cluster richness based only on the number of galaxies within a magnitude range and search area. In this proof-of-concept study, we obtain a balanced accuracy of 83.20 per cent when distinguishing between cluster and field galaxies as well as a median absolute percentage error of 33.50 per cent between our estimated cluster richnesses and known cluster richnesses within r200. In the future, we aim for AutoEnRichness to be applied on upcoming large-scale optical surveys, such as the Legacy Survey of Space and Time and Euclid, to estimate the richness of a large sample of galaxy groups and clusters from across the halo mass function. This would advance our overall understanding of galaxy evolution within overdense environments as well as enable cosmological parameters to be further constrained.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Fast methods for multisite charge transfer. Processes II. Analytic nuclear gradients and nonadiabatic dynamics for cCASSCF(1,n) and cCASSCF(2n-1,n) wavefunctions

In this work we derive and implement analytic nuclear gradients and derivative couplings for a constrained complete active space self-consistent field with a small active space designed to model electron or hole transfer. Using a Lagrangian formalism, we are able to differentiate both the CASSCF energy and the constraint (which is required for smooth surfaces over a wide range of parameter space), and the resulting efficient algorithm can be immediately applied to nonadiabatic dynamics simulations of charge transfer processes. Here, we run initial surface-hopping simulations of a proton coupled electron transfer event for a phenoxyl–phenol system.

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

Challenges for a QCD axion at the 10 MeV scale

We report on an interesting realization of the QCD axion, with mass in the range $\mathcal{O}$(10) MeV. It has previously been shown that although this scenario is stringently constrained from multiple sources, the model remains viable for a range of parameters that leads to an explanation of the Atomki experiment anomaly. In this article we study in more detail the additional constraints proceeding from recent low energy experiments and study the compatibility of the allowed parameter space with the one leading to consistency of the most recent measurements of the electron anomalous magnetic moment and the fine structure constant. We further provide an ultraviolet completion of this axion variant and show the conditions under which it may lead to the observed quark masses and CKM mixing angles, and remain consistent with experimental constraints on the extended scalar sector appearing in this Standard Model extension. In particular, the decay of the Standard Model-like Higgs boson into two light axions may be relevant and leads to a novel Higgs boson signature that may be searched for at the LHC in the near future.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Interstellar gas heating by primordial black holes

Interstellar gas heating is a powerful cosmology-independent observable for exploring the parameter space of primordial black holes (PBHs) formed in the early Universe that could constitute part of the dark matter (DM). We provide a detailed analysis of the various aspects for this observable, such as PBH emission mechanisms. Using observational data from the Leo T dwarf galaxy, we constrain the PBH abundance over a broad mass-range, M PBH ~ O(1)M ⊙ – 10 7 M ⊙ , relevant for the recently detected gravitational wave signals from intermediate-mass BHs. Here, we also consider PBH gas heating of systems with bulk relative velocity with respect to the DM, such as Galactic clouds.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Spectral Energy Distributions for 258 Local Volume Galaxies

We present model spectral energy distribution (SED) fits to ultraviolet/optical/infrared observations for the 258 nearby galaxies in the Local Volume Legacy survey, a sample dominated by lower-luminosity dwarf irregular systems. The data for each galaxy include up to 26 spatially-integrated broadband and narrowband fluxes from the Galaxy Evolution Explorer, Spitzer Space Telescope, and Infrared Astronomical Satellite space-based platforms, and from the Sloan Digital Sky Survey, Two Micron All Sky Survey, and other ground-based efforts. The CIGALE SED fitting package is employed using a delayed star-formation history with an optional late burst or quenching episode to constrain 11 different free parameters that characterize the properties of each galaxy's stellar and dust emission, with the overriding constraint that the ultraviolet/optical emission absorbed by interstellar dust grains is emitted in equal energy portions at infrared wavelengths. The main results are: (i) 94% of the SED fits yield reduced χ 2 values less than 3; (ii) the modeled stellar masses agree with those derived from 3.6 μm-based measures with a scatter of 0.07 dex; (iii) for a typical galaxy in the sample the SED-derived star-formation rate averaged over the past 100 Myr is about 88% of the value derived from standard hybrid indicators on similar timescales; and (iv) there is a statistically significant inverse relation between the stellar mass fraction appearing in the late burst and the total stellar mass. These results build upon prior SED modeling efforts in the local volume and lay the groundwork for future studies of more distant low-metallicity galaxies with JWST.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Quantifying Quantum Chaos through Microcanonical Distributions of Entanglement

A characteristic feature of “quantum chaotic” systems is that their eigenspectra and eigenstates display universal statistical properties described by random matrix theory (RMT). However, eigenstates of local systems also encode structure beyond RMT. To capture this feature, we introduce a framework that allows us to compare the properties of eigenstates in local systems with those of pure random states. In particular, our framework defines a notion of distance between quantum state ensembles that utilizes the Kullback-Leibler divergence to compare the microcanonical distribution of entanglement entropy (EE) of eigenstates with a reference RMT distribution generated by pure random states (with appropriate constraints). This notion gives rise to a quantitative metric for quantum chaos that not only accounts for averages of the distributions but also higher moments. The differences in moments are compared on a highly resolved scale set by the standard deviation of the RMT distribution, which is exponentially small in system size. As a result, the metric can distinguish between chaotic and integrable behaviors and, in addition, quantify and compare the of chaos (in terms of proximity to RMT behavior) between two systems that are assumed to be chaotic. We implement our framework in local, minimally structured, Floquet random circuits, as well as a canonical family of many-body Hamiltonians, the mixed-field Ising model (MFIM). Importantly, for Hamiltonian systems, we find that the reference random distribution must be appropriately constrained to incorporate the effect of energy conservation in order to describe the ensemble properties of midspectrum eigenstates. The metric captures deviations from RMT across all models and parameters, including those that have been previously identified as strongly chaotic, and for which other diagnostics of chaos such as level spacing statistics look strongly thermal. In Floquet circuits, the dominant source of deviations is the second moment of the distribution, and this persists for all system sizes. For the MFIM, we find significant variation of the KL divergence in parameter space. Notably, we find a small region where deviations from RMT are minimized, suggesting that “maximally chaotic” Hamiltonians may exist in fine-tuned pockets of parameter space. Published by the American Physical Society 2024

Physics↗
DOE OSTI2023

DES Y3 + KiDS-1000: Consistent cosmology combining cosmic shear surveys

We present a joint cosmic shear analysis of the Dark Energy Survey (DES Y3) and the Kilo-Degree Survey (KiDS-1000) in a collaborative effort between the two survey teams. We find consistent cosmological parameter constraints between DES Y3 and KiDS-1000 which, when combined in a joint-survey analysis, constrain the parameter $S_8 = \sigma_8 \sqrt{\Omega_{\rm m}/0.3}$ with a mean value of $0.790^{+0.018}_{-0.014}$. The mean marginal is lower than the maximum a posteriori estimate, $S_8=0.801$, owing to skewness in the marginal distribution and projection effects in the multi-dimensional parameter space. Our results are consistent with $S_8$ constraints from observations of the cosmic microwave background by Planck, with agreement at the $1.7\sigma$ level. We use a Hybrid analysis pipeline, defined from a mock survey study quantifying the impact of the different analysis choices originally adopted by each survey team. We review intrinsic alignment models, baryon feedback mitigation strategies, priors, samplers and models of the non-linear matter power spectrum.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Hierarchical Inference with Bayesian Neural Networks: An Application to Strong Gravitational Lensing

In the past few years, approximate Bayesian Neural Networks (BNNs) have demonstrated the ability to produce statistically consistent posteriors on a wide range of inference problems at unprecedented speed and scale. However, any disconnect between training sets and the distribution of real-world objects can introduce bias when BNNs are applied to data. This is a common challenge in astrophysics and cosmology, where the unknown distribution of objects in our universe is often the science goal. In this work, we incorporate BNNs with flexible posterior parameterizations into a hierarchical inference framework that allows for the reconstruction of population hyperparameters and removes the bias introduced by the training distribution. We focus on the challenge of producing posterior PDFs for strong gravitational lens mass model parameters given Hubble Space Telescope–quality single-filter, lens-subtracted, synthetic imaging data. We show that the posterior PDFs are sufficiently accurate (statistically consistent with the truth) across a wide variety of power-law elliptical lens mass distributions. We then apply our approach to test data sets whose lens parameters are drawn from distributions that are drastically different from the training set. We show that our hierarchical inference framework mitigates the bias introduced by an unrepresentative training set's interim prior. Simultaneously, we can precisely reconstruct the population hyperparameters governing our test distributions. Our full pipeline, from training to hierarchical inference on thousands of lenses, can be run in a day. The framework presented here will allow us to efficiently exploit the full constraining power of future ground- and space-based surveys (https://github.com/swagnercarena/ovejero).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Lens Modeling of STRIDES Strongly Lensed Quasars Using Neural Posterior Estimation

Strongly lensed quasars can be used to constrain cosmological parameters through time-delay cosmography. Models of the lens masses are a necessary component of this analysis. To enable time-delay cosmography from a sample of $\mathcal{O}(10^3)$ lenses, which will soon become available from surveys like the Rubin Observatory’s Legacy Survey of Space and Time and the Euclid Wide Survey, we require fast and standardizable modeling techniques. To address this need, we apply neural posterior estimation (NPE) for modeling galaxy-scale strongly lensed quasars from the Strong Lensing Insights into the Dark Energy Survey (STRIDES) sample. NPE brings two advantages: speed and the ability to implicitly marginalize over nuisance parameters. We extend this method by employing sequential NPE to increase precision of mass model posteriors. We then fold individual lens models into a hierarchical Bayesian inference to recover the population distribution of lens mass parameters, accounting for out-of-distribution shift. After verifying our method using simulated analogs of the STRIDES lens sample, we apply our method to 14 Hubble Space Telescope single-filter observations. We find the population mean of the power-law elliptical mass distribution slope, γ lens , to be $\mathcal{M}_γ$ lens = 2.13 ± 0.06. Our result represents the first population-level constraint for these systems. This population-level inference from fully automated modeling is an important stepping stone toward cosmological inference with large samples of strongly lensed quasars.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Primordial non-Gaussianity from the completed SDSS-IV extended Baryon Oscillation Spectroscopic Survey II: measurements in Fourier space with optimal weights

ABSTRACT We present measurements of the local primordial non-Gaussianity parameter $f_{\mathrm{NL}}^\mathrm{local} $from the clustering of 343 708 quasars with redshifts 0.8 < z < 2.2 distributed over 4808 deg2 from the final data release (DR16) of the extended Baryon Acoustic Oscillation Spectroscopic Survey (eBOSS), the largest volume spectroscopic survey up to date. Our analysis is performed in Fourier space, using the power spectrum monopole at very large scales to constrain the scale-dependent halo bias. We demonstrate the robustness of our analysis pipeline with EZ-mock catalogues that simulate the eBOSS DR16 target selection. We carefully assess the impact of systematics on our measurement, exploiting a novel neural network scheme for cleaning the DR16 sample as well as test multiple contamination removal methods. We estimate the bias due to the overcorrection of the systematic removal to be sub-dominant compared to the statistical uncertainty. We find fNL = −12 ± 21 (68 per cent confidence) for the main clustering sample including quasars with redshifts between 0.8 and 2.2, after applying redshift weighting techniques, designed for non-Gaussianity measurement from large scales structure, to optimize our analysis, which improve our results by 37 per cent.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Robust scalable initialization for Bayesian variational inference with multi-modal Laplace approximations

Predictive modeling typically relies on Bayesian model calibration to provide uncertainty quantification. Variational inference utilizing fully independent (“mean-field”) Gaussian distributions are often used as approximate probability density functions. This simplification is attractive since the number of variational parameters grows only linearly with the number of unknown model parameters. However, the resulting diagonal covariance structure and unimodal behavior can be too restrictive to provide useful approximations of intractable Bayesian posteriors that exhibit highly non-Gaussian behavior, including multimodality. High-fidelity surrogate posteriors for these problems can be obtained by considering the family of Gaussian mixtures. Gaussian mixtures are capable of capturing multiple modes and approximating any distribution to an arbitrary degree of accuracy, while maintaining some analytical tractability. Unfortunately, variational inference using Gaussian mixtures with full-covariance structures suffers from a quadratic growth in variational parameters with the number of model parameters. The existence of multiple local minima due to strong nonconvex trends in the loss functions often associated with variational inference present additional complications, These challenges motivate the need for robust initialization procedures to improve the performance and computational scalability of variational inference with mixture models. In this work, we propose a method for constructing an initial Gaussian mixture model approximation that can be used to warm-start the iterative solvers for variational inference. The procedure begins with a global optimization stage in model parameter space. In this step, local gradient-based optimization, globalized through multistart, is used to determine a set of local maxima, which we take to approximate the mixture component centers. Around each mode, a local Gaussian approximation is constructed via the Laplace approximation. Finally, the mixture weights are determined through constrained least squares regression. The robustness and scalability of the proposed methodology is demonstrated through application to an ensemble of synthetic tests using high-dimensional, multimodal probability density functions. Here, the practical aspects of the approach are demonstrated with inversion problems in structural dynamics.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Bounds on galaxy stochasticity from halo occupation distribution modeling

The joint probability distribution of matter overdensity and galaxy counts in cells is a powerful probe of cosmology, and the extent to which variance in galaxy counts at fixed matter density deviates from Poisson shot noise is not fully understood. The lack of informed bounds on this stochasticity is currently the limiting factor in constraining cosmology with the galaxy–matter probability distribution function (PDF). We investigate stochasticity in the conditional distribution of galaxy counts along lines of sight with fixed matter density, and we present a halo occupation distribution (HOD)-based approach for obtaining plausible ranges for stochasticity parameters. To probe the high-dimensional space of possible galaxy–matter connections, we derive a set of HODs that conserve the galaxies’ linear bias and number density to produce RED M A G I C-like galaxy catalogs within the A BACUS S UMMIT suite of N -body simulations. We study the impact of individual HOD parameters and cosmology on stochasticity and perform a Monte Carlo search in HOD parameter space subject to the constraints on bias and density. In mock catalogs generated by the selected HODs, shot noise in galaxy counts spans both sub-Poisson and super-Poisson values, ranging from 80% to 133% of Poisson variance for cells with mean matter density. Nearly all of the derived HODs show a positive relationship between local matter density and stochasticity. For galaxy catalogs with higher stochasticity, modeling galaxy bias to second order is required for an accurate description of the conditional PDF of galaxy counts at fixed matter density. The presence of galaxy assembly bias also substantially extends the range of stochasticity in the super-Poisson direction. This HOD-based approach leverages degrees of freedom in the galaxy–halo connection to obtain informed bounds on nuisance model parameters and can be adapted to study other parametrizations of shot noise in galaxy counts, in particular to motivate prior ranges on stochasticity for cosmological analyses.

Britt, Dylan (ORCID:000000019905601X)↗
DOE OSTI2024

Transition-Metal-Related Quantum Emitters in Wurtzite AlN and GaN

Transition-metal centers exhibit a paramagnetic ground state in wide-bandgap semiconductors and are promising for nanophotonics and quantum information processing. Specifically, there is a growing interest in discovering prominent paramagnetic spin defects that can be manipulated using optical methods. Here, we investigate the electronic structure and magneto-optical properties of Cr and Mn substitutional centers in wurtzite AlN and GaN. We use state-of-the-art hybrid density functional theory calculations to determine level structure, stability, optical signatures, and magnetic properties of these centers. The excitation energies are calculated using the constrained occupation approach and rigorously verified with the complete active space configuration interaction approach. Our simulations of the photoluminescence spectra indicate that $Cr$$^{1+}_{Al}$ in AlN and $Cr$$^{1+}_{Ga}$ in GaN are responsible for the observed narrow quantum emission near 1.2 eV. We compute the zero-field splitting (ZFS) parameters and outline an optical spin polarization protocol for $Cr$$^{1+}_{Al}$ and $Cr$$^{1+}_{Ga}$. Our results demonstrate that these centers are promising candidates for spin qubits.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

A forecast for large-scale structure constraints on Horndeski gravity with CO line intensity mapping

Here we consider the potential for line intensity mapping (LIM) of the rotational CO(1-0), CO(2-1), and CO(3-2) transitions to detect deviations from General Relativity from 0 < z < 3 within the framework of a very general class of modified gravity models, called Horndeski’s theories. Our forecast assumes a multitracer analysis separately obtaining information from the matter power spectrum and the first two multipoles of the redshift space distortion power spectrum. To achieve ±0.1 level constraints on the slope of the kinetic gravity braiding and Planck mass evolution parameters, a mm-wave LIM experiment would need to accumulate ≈10 8 –10 9 spectrometre-hours, feasible with instruments that could be deployed in the 2030s. Such a measurement would constrain the parameters of Horndeski’s theory at a level at worst competitive to and at best an order of magnitude tighter than existing constraints from the CMB and LSS. Our modelling code is publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗