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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 145 records · Page 8
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DOE OSTI2021

The Sonora Substellar Atmosphere Models. II. Cholla: A Grid of Cloud-free, Solar Metallicity Models in Chemical Disequilibrium for the JWST Era

Exoplanet and brown dwarf atmospheres commonly show signs of disequilibrium chemistry. In the James Webb Space Telescope (JWST) era, high-resolution spectra of directly imaged exoplanets will allow the characterization of their atmospheres in more detail, and allow systematic tests for the presence of chemical species that deviate from thermochemical equilibrium in these atmospheres. Constraining the presence of disequilibrium chemistry in these atmospheres as a function of parameters such as their effective temperature and surface gravity will allow us to place better constraints on the physics governing these atmospheres. This paper is part of a series of works presenting the Sonora grid of atmosphere models. In this paper, we present a grid of cloud-free, solar metallicity atmospheres for brown dwarfs and wide-separation giant planets with key molecular species such as CH 4 , H 2 O, CO, and NH 3 in disequilibrium. Our grid covers atmospheres with T eff ∈ [500 K, 1300 K], log g ∈ [3.0, 5.5] (cgs) and an eddy diffusion parameter of logK zz = 2,4 and 7 (cgs). We study the effect of different parameters within the grid on the temperature and composition profiles of our atmospheres. We discuss their effect on the near-infrared colors of our model atmospheres and the detectability of CH 4 , H 2 O, CO, and NH 3 using the JWST. We compare our models against existing MKO and Spitzer observations of brown dwarfs and verify the importance of disequilibrium chemistry for T dwarf atmospheres. Finally, we discuss how our models can help constrain the vertical structure and chemical composition of these atmospheres.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Impact of recent updates to neutrino oscillation parameters on the effective Majorana neutrino mass in 0 ν β β decay

We investigate how recent updates to neutrino oscillation parameters and the sum of neutrino masses influence the sensitivity of neutrinoless double-beta ( 0 ν β β ) decay experiments. Incorporating the latest cosmological constraints on the sum of neutrino masses and laboratory measurements on oscillations, we determine the sum of neutrino masses for both the normal hierarchy (NH) and the inverted hierarchy (IH). Our analysis reveals a narrow range for the sum of neutrino masses, approximately 0.06 eV / c 2 for NH and 0.102 eV / c 2 for IH. Utilizing these constraints, we calculate the effective Majorana masses for both NH and IH scenarios, establishing the corresponding allowed regions. Importantly, we find that the minimum neutrino mass is nonzero, as constrained by the current oscillation parameters. Additionally, we estimate the half-life of 0 ν β β decay using these effective Majorana masses for both NH and IH. Our results suggest that upcoming ton-scale experiments will comprehensively explore the IH scenario, while 100-ton-scale experiments will effectively probe the parameter space for the NH scenario, provided the background index can achieve 1 event/kton-year in the region of interest. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2023

Optimization of Energy Storage System Economics and Controls by Incorporating Battery Degradation Costs in REopt

The use of stationary electrochemical energy storage systems utilizing lithium-ion batteries has increased rapidly as the production scale and price for lithium-ion batteries has decreased. These energy storage systems are crucial for maintaining grid resiliency, especially for grids operating with high penetration of renewable energy generation assets or for with a variety of distributed energy generation and storage systems. One challenging factor for the development of battery energy storage systems is estimating the proper sizing, in terms of both power and energy, that minimizes total costs over the lifetime of the systems; this calculation is difficult in simple cases, where a battery is costed independently, but is extremely challenging when building loads and electrical generation by photovoltaic resources are also considered. REopt is a techoeconomic optimization tool developed by NREL to address these challenges. Previously, battery degradation has been priced by simply assuming a 10-year replacement schedule for battery systems. However, this does not account for varying degradation trends observed across real-world batteries, or allow for batteries to be operated in a degradation-aware manner that optimizes battery dispatch based on operating costs. This work incorporates a battery life model into REopt. This battery life model is simple, so that it may be solvable within the constrains of a mixed-integer linear optimization problem, but is fit to accelerated aging data recorded in the lab. To achieve the best possible accuracy for lifetime estimates given these constraints, parameters for the battery life model in REopt are estimated by fitting 20-year simulations of battery life after identifying state-space battery degradation model from accelerated aging data. Comparisons of battery life predicted in REopt and from the state-space battery degradation model to ensure validity of lifetime estimates made by REopt. Battery life and cost is optimized by controlling three decision to minimize system life cost: battery sizing, daily state-of-charge, and daily energy-throughput. The cost of battery degradation as a function of these control variables is then estimated assuming two possible maintenance strategies: replacement, where the entire battery system is replaced if cell reach an end-of-life capacity threshold; and augmentation, which establishes a fund to pay for continual purchase of new batteries to maintain the initial energy capacity of the system. These two strategies offer conservative (for replacement) and optimistic (for augmentation) bounds for total system cost. The degradation cost incurred by these strategies is then used to control battery dispatch decisions, operating the battery in a degradation-aware manner that maximizes battery lifetime while also providing energy when favorable. Because the mixed-integer linear program has perfect foresight of future energy needs, batteries with degradation costs are always operated using 'just-in-time' charging, which is unrealistic, as no energy is left in the storage system to perform other energy services or to serve as emergency back-up power. To combat this, an inequality constraint on the average annual state-of-charge is imposed, and the sensitivity of system cost to average stored energy, e.g., the cost of system resiliency, can be quantified. Analysis of results has several conclusions, for instance, oversizing of battery storage systems is not a cost burden when battery storage is an optimal solution, as any additional battery capacity can simply be utilized to avoid costs of purchasing energy from a utility.

battery↗
DOE OSTI2023

Constraining accuracy of the pairwise velocities in N -body simulations using scale-free models

We present a continuation of an analysis that aims to quantify resolution of N-body simulations by exploiting large (up to N = 4096 3 ) simulations of scale-free cosmologies run using abacus. Here, we focus on radial pairwise velocities of the matter field, both by direct estimation and through the cumulative two-point correlation function (using the pair conservation equation). We find that convergence at the 1 per cent level of the mean relative pairwise velocity can be demonstrated over a range of scales, evolving from a few times the grid spacing at early times to slightly below this scale at late times. We show the analysis of two different box sizes as well as from averaging results from the smaller boxes, and compare the power of the two aforementioned estimators in constraining accuracy at each scale. Down to scales of the order of the smoothing parameter, convergence is obtained at ∼5 per cent precision, and shows a behaviour indicating asymptotic stable clustering. In conclusion, we also infer for LCDM simulations conservative estimates on the evolution of the lower cut-off to resolution (at 1 and 5 per cent precision) as a function of redshift.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Direct Detection of Hawking Radiation from Asteroid-Mass Primordial Black Holes

We discuss light, asteroid-mass primordial black holes, with lifetimes in the range between hundreds to several millions times the age of the Universe, are well-motivated candidates for the cosmological dark matter. Using archival COMPTEL data, we improve over current constraints on the allowed parameter space of primordial black holes as dark matter by studying their evaporation to soft gamma rays in nearby astrophysical structures. We point out that a new generation of proposed MeV gamma-ray telescopes will offer the unique opportunity to directly detect Hawking evaporation from observations of nearby dark matter dense regions and to constrain, or discover, the primordial black hole dark matter.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Bounds on Lorentz Invariance Violation from Muon Fluctuations at the Pierre Auger Observatory

Quantum gravity theories often modify spacetime symmetries. In particular, Lorentz invariance may be violated when approaching the Planck scale. Although the scales at which interactions occur in extensive air showers induced by ultra-high-energy cosmic rays in the atmosphere are many orders of magnitude below the Planck scale, these violations might still be observable. In this Letter, the fluctuations in the number of muons in the extensive air showers measured at the Pierre Auger Observatory are exploited, for the first time, to constrain Lorentz invariance violations. The bounds derived in the hadronic sector are the strongest ever obtained, and do not rely on assumptions about the mass composition of ultra-high-energy cosmic rays. The fluctuations in the number of muons constitute a new and powerful observable to further explore Lorentz invariance in a region of the parameter space not accessible to other observables.

Abdul Halim, A. [Adelaide U.] (ORCID:0000000312181↗
DOE OSTI2021

Evidence for galaxy assembly bias in BOSS CMASS redshift-space galaxy correlation function

ABSTRACT Building accurate and flexible galaxy–halo connection models is crucial in modelling galaxy clustering on non-linear scales. Recent studies have found that halo concentration by itself cannot capture the full galaxy assembly bias effect and that the local environment of the halo can be an excellent indicator of galaxy assembly bias. In this paper, we propose an extended halo occupation distribution (HOD) model that includes both a concentration-based assembly bias term and an environment-based assembly bias term. We use this model to achieve a good fit (χ2/degrees of freedom = 1.35) on the 2D redshift-space two-point correlation function (2PCF) of the Baryon Oscillation Spectroscopic Survey (BOSS) CMASS galaxy sample. We find that the inclusion of both assembly bias terms is strongly favoured by the data and the standard five-parameter HOD model is strongly rejected. More interestingly, the redshift-space 2PCF drives the assembly bias parameters in a way that preferentially assigns galaxies to lower mass haloes. This results in galaxy–galaxy lensing predictions that are within 1σ agreement with the observation, alleviating the perceived tension between galaxy clustering and lensing. We also showcase a consistent 3σ–5σ preference for a positive environment-based assembly bias that persists over variations in the fit. We speculate that the environmental dependence might be driven by underlying processes such as mergers and feedback, but might also be indicative of a larger halo boundaries such as the splashback radius. Regardless, this work highlights the importance of building flexible galaxy–halo connection models and demonstrates the extra constraining power of the redshift-space 2PCF.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Capture Cavities For The Cw Polarized Positron Source Ce + baf

The initial design of the capture cavities for the continuous wave (CW) polarized positron beams at Jefferson Lab (Ce + BAF) is presented. A chain of standing wave multi-cell copper cavities inside a solenoid tunnel are selected to improve the positron capture efficiency. The cavity design strategy is presented to accommodate constrains from the large phase distribution of the incident beams, RF power and RF heating. A matrix of design parameters’ range are given for future system optimization when the capture cavities are considered together with other sub-systems and beam dynamics. The contents will also be useful for other CW cavity design for beams with large phase space distribution.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Revealing the hidden structure of disordered materials by parameterizing their local structural manifold

Abstract Durable interest in developing a framework for the detailed structure of glassy materials has produced numerous structural descriptors that trade off between general applicability and interpretability. However, none approach the combination of simplicity and wide-ranging predictive power of the lattice-grain-defect framework for crystalline materials. Working from the hypothesis that the local atomic environments of a glassy material are constrained by enthalpy minimization to a low-dimensional manifold in atomic coordinate space, we develop a generalized distance function, the Gaussian Integral Inner Product (GIIP) distance, in connection with agglomerative clustering and diffusion maps, to parameterize that manifold. Applying this approach to a two-dimensional model crystal and a three-dimensional binary model metallic glass results in parameters interpretable as coordination number, composition, volumetric strain, and local symmetry. In particular, we show that a more slowly quenched glass has a higher degree of local tetrahedral symmetry at the expense of cyclic symmetry. While these descriptors require post-hoc interpretation, they minimize bias rooted in crystalline materials science and illuminate a range of structural trends that might otherwise be missed.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Sensitivity of the Cherenkov Telescope Array for probing cosmology and fundamental physics with gamma-ray propagation

The Cherenkov Telescope Array (CTA), the new-generation ground-based observatory for γ astronomy, provides unique capabilities to address significant open questions in astrophysics, cosmology, and fundamental physics. We study some of the salient areas of γ cosmology that can be explored as part of the Key Science Projects of CTA, through simulated observations of active galactic nuclei (AGN) and of their relativistic jets. Observations of AGN with CTA will enable a measurement of γ absorption on the extragalactic background light with a statistical uncertainty below 15% up to a redshift z=2 and to constrain or detect γ halos up to intergalactic-magnetic-field strengths of at least 0.3 pG . Extragalactic observations with CTA also show promising potential to probe physics beyond the Standard Model. The best limits on Lorentz invariance violation from γ astronomy will be improved by a factor of at least two to three. CTA will also probe the parameter space in which axion-like particles could constitute a significant fraction, if not all, of dark matter. We conclude on the synergies between CTA and other upcoming facilities that will foster the growth of γ cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Toward Accurate Modeling of Galaxy Clustering on Small Scales: Constraining the Galaxy-halo Connection with Optimal Statistics

Applying halo models to analyze the small-scale clustering of galaxies is a proven method for characterizing the connection between galaxies and their host halos. Such works are often plagued by systematic errors or limited to clustering statistics that can be predicted analytically. In this work, we employ a numerical mock-based modeling procedure to examine the clustering of Sloan Digital Sky Survey DR7 galaxies. We apply a standard halo occupation distribution (HOD) model to dark matter only simulations with a ΛCDM cosmology. To constrain the theoreStical models, we utilize a combination of galaxy number density and selected scales of the projected correlation function, redshift-space correlation function, group multiplicity function, average group velocity dispersion, mark correlation function, and counts-in-cells statistics. We design an algorithm to choose an optimal combination of measurements that yields tight and accurate constraints on our model parameters. Compared to previous work using fewer clustering statistics, we find a significant improvement in the constraints on all parameters of our halo model for two different luminosity-threshold galaxy samples. Most interestingly, we obtain unprecedented high-precision constraints on the scatter in the relationship between galaxy luminosity and halo mass. However, our best-fit model results in significant tension (>4σ) for both samples, indicating the need to add second-order features to the standard HOD model. To guarantee the robustness of these results, we perform an extensive analysis of the systematic and statistical errors in our modeling procedure, including a first of its kind study of the sensitivity of our constraints to changes in the halo mass function due to baryonic physics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Production of light (anti)nuclei in pp collisions at $ \sqrt{s} $=13 TeV

Understanding the production mechanism of light (anti)nuclei is one of the key challenges of nuclear physics and has important consequences for astrophysics, since it provides an input for indirect dark-matter searches in space. In this paper, the latest results about the production of light (anti)nuclei in pp collisions at $\sqrt{s}$ = 13 TeV are presented, focusing on the comparison with the predictions of coalescence and thermal models. For the first time, the coalescence parameters B 2 for deuterons and B 3 for helions are compared with parameter-free theoretical predictions that are directly constrained by the femtoscopic measurement of the source radius in the same event class. A fair description of the data with a Gaussian wave function is observed for both deuteron and helion, supporting the coalescence mechanism for the production of light (anti)nuclei in pp collisions. This method paves the way for future investigations of the internal structure of more complex nuclear clusters, including the hypertriton.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Post-remediation geophysical assessment: Investigating long-term electrical geophysical signatures resulting from bioremediation at a chlorinated solvent contaminated site

There is a growing need to assess long-term impacts of active remediation strategies on treated aquifers. A variety of biogeochemical alterations can result from interactions of the amendment with the aquifer, conceivably leading to a geophysical footprint of the long-term alteration of an aquifer. This concept of post-remediation geophysical assessment was investigated in a shallow, chlorinated solvent-contaminated aquifer six to eight years after amendment delivery. Surface resistivity imaging and cross-borehole resistivity and induced polarization (IP) imaging were performed on a transect that spanned treated and untreated zones of the aquifer. Established relationships between IP parameters and surface electrical conductivity were used to predict vertical profiles of electrolytic conductivity and surface conductivity from the inverted cross-borehole images. Aqueous geochemistry data, along with natural gamma and magnetic susceptibility logs, were used to constrain the interpretation. The electrical conductivity structure determined from surface and borehole imaging was foremost controlled by the electrolytic conductivity of the interconnected pore space, being linearly related to fluid specific conductance. The electrolytic conductivity (and thus the conductivity images alone) did not discriminate between treated and untreated zones of the aquifer. In contrast, inverted phase angles and surface conductivities did discriminate between treated and untreated zones of the aquifer, with the treated zone being up to an order of magnitude more polarizable in places. Supporting aqueous chemistry and borehole logging datasets indicate that this geophysical footprint of the long-term impact of the remediation on the aquifer is most likely associated with the formation of polarizable, dispersed iron sulfide minerals. The study opens the door to the possibility of employing time-lapse electrical geophysical measurements to assist with long-term environmental stewardship of legacy sites undergoing active remediation.

bioremediation↗
DOE OSTI2024

Insights from binary pulsars and laboratories into baryon number violation: Implications for GeV dark matter

Rare processes in laboratory and within astrophysical environments can be highly sensitive probes of baryon-number-violating interactions at the TeV scale. We demonstrate the power of neutron stars to constrain baryon-number violation by considering a minimal extension of the standard model involving a TeV-mass scalar mediator and a GeV scale Majorana fermion ψ . We find that a Δ B = 2 mass-loss process in binary pulsar systems via n → γ ψ and the subsequent scattering ψ n → π − K + places stringent constraints on the model parameter space. These limits will become much stronger, due to the possibility of Λ → γ ψ decays at the tree level, if the neutron star equation of state is hyperonic. We compare these constraints with ongoing and future collider experiments, n − n ¯ oscillations, and dinucleon decay searches at future large-scale neutrino experiments, finding that the binary pulsars bounds on couplings are significantly tighter for specific flavor combinations. Published by the American Physical Society 2024

baryons↗
DOE OSTI2023

2D k -th nearest neighbour statistics: a highly informative probe of galaxy clustering

ABSTRACT Beyond standard summary statistics are necessary to summarize the rich information on non-linear scales in the era of precision galaxy clustering measurements. For the first time, we introduce the 2D k-th nearest neighbour (kNN) statistics as a summary statistic for discrete galaxy fields. This is a direct generalization of the standard 1D kNN by disentangling the projected galaxy distribution from the redshift-space distortion signature along the line-of-sight. We further introduce two different flavours of 2D kNNs that trace different aspects of the galaxy field: the standard flavour which tabulates the distances between galaxies and random query points, and a ‘DD’ flavour that tabulates the distances between galaxies and galaxies. We showcase the 2D kNNs’ strong constraining power both through theoretical arguments and by testing on realistic galaxy mocks. Theoretically, we show that 2D kNNs are computationally efficient and directly generate other statistics such as the popular two-point correlation function (2PCF), voids probability function, and counts-in-cell statistics. In a more practical test, we apply the 2D kNN statistics to simulated galaxy mocks that fold in a large range of observational realism and recover parameters of the underlying extended halo occupation distribution (HOD) model that includes velocity bias and galaxy assembly bias. We find unbiased and significantly tighter constraints on all aspects of the HOD model with the 2D kNNs, both compared to the standard 1D kNN, and the classical redshift-space 2PCF.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Stochastic optimization of a uranium oxide reaction mechanism using plasma flow reactor measurements

Abstract In this work, a coupled Monte Carlo Genetic Algorithm (MCGA) approach is used to optimize a gas phase uranium oxide reaction mechanism based on plasma flow reactor (PFR) measurements. The PFR produces a steady Ar plasma containing U, O, H, and N species with high temperature regions (3000–5000 K) relevant to observing UO formation via optical emission spectroscopy. A global kinetic treatment is used to model the chemical evolution in the PFR and to produce synthetic emission signals for direct comparison with experiments. The parameter space of a uranium oxide reaction mechanism is then explored via Monte Carlo sampling using objective functions to quantify the model-experiment agreement. The Monte Carlo results are subsequently refined using a genetic algorithm to obtain an experimentally corroborated set of reaction pathways and rate coefficients. Out of 12 reaction channels targeted for optimization, four channels are found to be well constrained across all optimization runs while another three channels are constrained in select cases. The optimized channels highlight the importance of the OH radical in oxidizing uranium in the PFR. This study comprises a first step toward producing a comprehensive experimentally validated reaction mechanism for gas phase uranium molecular species formation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Hyper-Differential Sensitivity Analysis of Uncertain Parameters in PDE-Constrained Optimization

Many problems in engineering and sciences require the solution of large scale optimization constrained by partial differential equations (PDEs). Though PDE-constrained optimization is itself challenging, most applications pose additional complexity, namely, uncertain parameters in the PDEs. Uncertainty quantification (UQ) is necessary to characterize, prioritize, and study the influence of these uncertain parameters. Sensitivity analysis, a classical tool in UQ, is frequently used to study the sensitivity of a model to uncertain parameters. In this article, we introduce "hyper-differential sensitivity analysis" which considers the sensitivity of the solution of a PDE-constrained optimization problem to uncertain parameters. Our approach is a goal-oriented analysis which may be viewed as a tool to complement other UQ methods in the service of decision making and robust design. We formally define hyper-differential sensitivity indices and highlight their relationship to the existing optimization and sensitivity analysis literatures. Assuming the presence of low rank structure in the parameter space, computational efficiency is achieved by leveraging a generalized singular value decomposition in conjunction with a randomized solver which converts the computational bottleneck of the algorithm into an embarrassingly parallel loop. Two multi-physics examples, consisting of nonlinear steady state control and transient linear inversion, demonstrate efficient identification of the uncertain parameters which have the greatest influence on the optimal solution.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Detection of the keto-enol tautomerization in acetaldehyde, acetone, cyclohexanone, and methyl vinyl ketone with a novel VUV light source

The discovery of enols in combustion environments and our atmosphere has garnered increasing attention to the many unanswered questions surrounding enol chemistry. The scarcity of experimental data concerning these enols renders combustion and atmospheric models with a lack of constraining parameters, leading to varying computational predictions. Experimental detection is difficult because mass spectrometry, a powerful tool for probing a wide variety of species, cannot distinguish between enols and their thermodynamically favorable ketone isomers. A solution to this ambiguity is to use tunable vacuum ultraviolet (VUV) light from a synchrotron to identify the presence of the enol by its lower ionization energy compared to the isomer. We present a tabletop-scale VUV light source that implements highly cascaded harmonic generation, a new regime of cascaded nonlinear optics, to provide a set of spectral lines spaced by 1.2 eV. We demonstrate that the variety of photon energies available allows us to detect the keto-enol tautomerization of four aldehydes and ketones. By combining this novel VUV light source with an established microreactor, we first revisit the formation of vinyl alcohol from acetaldehyde and confirm that the observed isomerization is indeed unimolecular. Secondly, we observe the thermal tautomerization of acetone to propen-2-ol for the first time. Finally, we observe the thermal tautomerization of cyclohexanone to 1-cyclohexenol and methyl vinyl ketone to 2-hydroxybutadiene, where the results are in good agreement with those reported at a synchrotron. Furthermore, our measurements can be used to constrain models, inform future experimental studies of enol reactivity, and potentially enhance current understanding of combustion and environmental chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗