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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 163 records · Page 9
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DOE OSTI2021

Derivation of the Future Time Equation for Analog, Non-Multiplying Monte Carlo Simulation

The expected computational time required to simulate a particle from a point in phase space through a Monte Carlo history, termed the expected future time, is found by solving the Future Time Equation (FTE). The expected future time may be useful when generating variance reduction parameters for a Monte Carlo simulation with a method such as Consistent Adjoint Driven Importance Sampling (CADIS). This report presents a detailed derivation of the Future Time Probability Density Function (FTPDF) and FTE for neutral particle Monte Carlo transport to aid future researchers. For simplicity, this derivation only considers analog transport in non-multiplying media.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Flavor-changing light bosons with accidental longevity

We consider a model with a complex scalar field that couples to (e, μ) or (μ, τ) within the “longevity” window: [|m l 1 – m l 2 |, m l 1 + m l 2 ] in which l 1 and l 2 are the two different charged leptons. Within such a mass window, even a relatively large coupling (e.g. of the size commensurate with the current accuracy/discrepancy in the muon g – 2 experiment) leads to long lifetimes and macroscopic propagation distance between production and decay points. We propose to exploit several existing neutrino experiments and one future experiment to probe the parameter space of this model. For the μ – e sector, we exploit the muonium decay branching ratio and the production and decay sequence at the LSND experiment, excluding the parametric region suggested by g μ – 2 anomaly. For the τ – μ sector, we analyze three main production mechanisms of scalars at beam dump experiments: the Drell-Yan process, the heavy meson decay, and the muon scattering. We explore the constraints from the past CHARM and NuTeV experiments, and evaluate sensitivity for the proposed beam dump experiment, SHiP. The latter can thoroughly probe the parameter space relevant for the g μ – 2 anomaly.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Metal Oxynitrides for the Electrocatalytic Reduction of Nitrogen to Ammonia

The successful deployment of technologies for the electrocatalytic nitrogen reduction reaction (e-NRR) to synthesize ammonia would enable distributed ammonia production with lower greenhouse gas emissions compared to the Haber–Bosch process. However, electrocatalysts that can readily activate N 2 , promote selective ammonia formation over the competing hydrogen evolution reaction, and maintain stability under reaction conditions are needed to enable this technology. Herein, we give our perspective on metal oxynitrides (A x B y O w N z ) as an emerging and underexplored materials class for e-NRR. Furthermore, we contrast the activity, selectivity, and stability of metal oxynitrides with those of their metal nitride and metal oxide counterparts. We discuss the different possible e-NRR reaction mechanisms on metal oxynitrides, emphasize challenges related to using metal oxynitrides for e-NRR, and provide an outlook for future research. Ultimately, the huge design space of metal oxynitrides is ripe for exploration to find catalyst formulations that overcome some of the limitations of traditional metal oxides and metal nitrides for e-NRR.

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

Forecasting Megaelectron-Volt Electrons Inside Earth's Outer Radiation Belt: PreMevE 2.0 Based on Supervised Machine Learning Algorithms

We present the recent progress in upgrading a predictive model for megaelectron-volt (MeV) electrons inside the Earth's outer Van Allen belt. This updated model, called PreMevE 2.0, provides improved forecasts, particularly at outer L-shells, by adding upstream solar wind speeds to the model's input parameter list that originally includes precipitating electrons observed at low Earth orbits and MeV electron fluxes in situ measured by a geosynchronous satellite. Furthermore, based on several kinds of linear and artificial neural networks algorithms, a list of models was constructed, trained, validated, and tested with 42-month MeV electron observations from Van Allen Probes. Out-of-sample test results from these models show that, with optimized model hyperparameters and input parameter combinations, the top performer from each category of models has the similar capability of making reliable 1-day (2-day) forecasts of 1-MeV electron flux distributions with performance efficiency values ~0.87 (~0.82) averaged over the L-shell range of 2.8–6.6, significantly outperforming the previous version of PreMevE particularly at L-shells > ~4.5. Interestingly, the linear regression model is often the most successful when compared to other models, which suggests the relationship between dynamics of trapped 1-MeV electrons and precipitating electrons is dominated by linear components. Results also show that PreMevE 2.0 can reasonably well predict the onsets of MeV electron events in 2-day forecasts. PreMevE 2.0 is designed to be driven by observations from longstanding space infrastructure to make high-fidelity forecasts for MeV electrons, thus can be an invaluable space weather forecasting tool for the future.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

The use of double-mode RR Lyrae stars as robust distance and metallicity indicators

Abstract RR Lyrae stars are one of the primary distance indicators for old stellar populations such as globular clusters, dwarf galaxies and galaxies. Typically, fundamental-mode RR Lyr stars are used for distance measurements, and their accuracy is strongly limited by the dependence of absolute magnitudes on metallicity, in both the optical and infrared bands. Here, we report the discovery of a period–(period ratio)–metallicity relation for double-mode RR Lyr stars, which can predict metallicity as accurately as the low-resolution spectra. With theoretical and observational evidence, we propose that the period–luminosity relation of double-mode RR Lyr stars is not affected by the metallicity. Combining the Large Magellanic Cloud distance and Gaia parallaxes, we calibrate the zero point of the period–luminosity relation to an error of 0.022 mag, which means that in the best case double-mode RR Lyr stars can anchor galaxy distances to an accuracy of 1.0%. For four globular clusters and two dwarf galaxies, we obtain distances using double-mode RR Lyr stars with a distance accuracy of 2–3% and 1–2%, respectively. With future telescopes such as the China Space Station Telescope and the Vera C. Rubin Observatory, double-mode RR Lyr stars will be established as an independent distance ladder in the near-field universe.

Astronomy & Astrophysics↗
DOE OSTI2022

The Mira–Titan Universe – IV. High-precision power spectrum emulation

Modern cosmological surveys are delivering data sets characterized by unprecedented quality and statistical completeness; this trend is expected to continue in the future as new ground- and space-based surveys come online. In order to maximally extract cosmological information from these observations, matching theoretical predictions are needed. At low redshifts, the surveys probe the non-linear regime of structure formation where cosmological simulations are the primary means of obtaining the required information. The computational cost of sufficiently resolved large-volume simulations makes it prohibitive to run very large ensembles. Nevertheless, precision emulators built on a tractable number of high-quality simulations can be used to build very fast prediction schemes to enable a variety of cosmological inference studies. We have recently introduced the Mira–Titan Universe simulation suite designed to construct emulators for a range of cosmological probes. This gravity-only set of simulations covers the standard six cosmological parameters {ω m , ω b , σ 8 , $h, n_s, w_0$} and, in addition, includes massive neutrinos and a dynamical dark energy equation of state {ω ν , $w_a$}. In this paper, we present the final emulator for the matter power spectrum based on 111 cosmological simulations, each covering a (2.1 Gpc) 3 volume and evolving 3200 3 particles. In this work, an additional set of 1776 lower resolution simulations and TimeRG perturbation theory results for the power spectrum are used to cover scales straddling the linear to mildly non-linear regimes (maximum wavenumber $\textit{k}$ = 5 Mpc –1 ). The emulator provides predictions at the 2–3 percent level of accuracy over a wide range of cosmological parameters and is publicly released as part of this paper.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Hints of a new leptophilic Higgs sector?

We show that a new leptophilic Higgs sector can resolve some intriguing anomalies in current experimental data across multiple energy ranges. Motivated by the recent CMS excess in the resonant e μ channel at 146 GeV, we consider a leptophilic two-Higgs-doublet model, and propose a novel resonant production mechanism for the neutral components of the second Higgs doublet at the LHC using the lepton content of the proton. Interestingly, the same Yukawa coupling Y e μ ∼ 0.65 – 0.81 that explains the CMS excess also addresses the muon ( g − 2 ) anomaly. Moreover, the new Higgs doublet also resolves the recent CDF W -boson mass anomaly. The relevant model parameter space will be completely probed by future LHC data. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2022

Towards Precision-Aware Fault Tolerance Approaches for Mixed-Precision Applications

Graphics Processing Units (GPUs), the dominantly adopted accelerators in HPC systems, are susceptible to transient hardware fault. New generation of GPUs feature mixed-precision architectures such as NVIDIA Tensor Cores to accelerate matrix multiplications. While being widely adapted, how would they behave under transient hardware faults remain unclear. In this study, we conduct a large-scale fault injection experiments on GEMM kernels implemented with different floating-point data types on the V100 and A100 Tensor Cores, and show distinct error resilience characteristics for the GEMMS with different formats. In the future, we plan to explore this space by building precision-aware floating-point fault tolerance techniques for applications such as DNNs that exercise low-precision computations.

Fang, Bo↗
DOE OSTI2024

Unveiling the properties of the dimuonium at the energies available at the Large Hadron Collider at CERN

We study the production of dimuonium (also known as true muonium) in two- and three-photon fusion processes in nucleus–nucleus collisions at the CERN Large Hadron Collider (LHC). A new formalism is introduced for the production process, and valuable new information is extracted, which will be helpful in proposals of future experiments. We explore the phase space constraints, the reaction mechanisms, and how dimuonium decay observables might be jeopardized by other physical processes. Here, we show that the energies available at the Large Hadron Collider at CERN might lead to the first identification of dimuonium in a terrestrial laboratory.

Bertulani, Carlos A.↗
DOE OSTI2023

Near surface structure of ultrathin epitaxial Ru films on graphene/amorphous SiO 2 revealed by azimuthal RHEED

Ru has been considered as an alternative metallic candidate for future local interconnects. The 2D reciprocal space map constructed from the azimuthal reflection high-energy electron diffraction patterns reveals that ultrathin Ru(0001) is epitaxially grown on transferred graphene on amorphous SiO 2 through quasi-van der Waals interaction. The in-plane and out-of-plane lattice constants are measured from streaks’ separation and intensity modulations along streaks, respectively. Weak and broad rings indicate that a low density of nanoscale polycrystals exist on the surface. In this work, The intensities of 00 and non-00 diffraction spots vs. azimuthal angles in the 2D map show a few degrees out-of-plane and in-plane angular misorientations among grains, respectively. As the film thickness decreases these angular misorientations increase. Transmission electron microscopy carried out in this study also provides precise values of lattice constant and sub-grain sizes in the films. These findings show that ultrathin Ru film is epitaxial but not exactly single crystalline.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Supporting Risk-informed Decision-making During Reactor Accidents

Uncertainty in severe accident evolution and outcome is driven by event bifurcations that represent distinctive challenges to defensive layers and tend to promote the emergence of discrete classes of core damage and accident risk. This discrete set of "attractor" states arise from the complex networks of competing physical phenomena and conditional event cascades occurring as the overall system degrades – a process that yields increasing degrees of freedom and accident progression pathways. Characterization of these event spaces has proven elusive to more traditional data interrogation methods, but proves tractable by application of more advanced data collection and machine learning approaches. Through application of these approaches we demonstrate a conceptual framework that enables real-time/robust, risk-informed decision-making support to improve accident mitigation and encourage “graceful exits” during low probability, extreme events limiting accident consequences. In this analysis, we simulated over 8,000 short-term station blackout (STSBO) accidents with the state-of-the-art integral severe accident code, MELCOR, and demonstrate the potential for ML approaches to predict simulation outcomes. We chose to pair ML tools with interpretable and mechanistic event trees for the considered STSBO accident space to predict the likelihood of future event paths along the tree. In addition to the current state of the system, we use information from recent trajectories of temperature, pressure, and other physical features, combining both the current state and past trajectories to forecast future event paths. Finally, we simulate the random injection of variable amounts of water to quantify the efficacy of available actions at reducing risks along the many branches in the event tree. We identify scenarios and windows of opportunity to mitigate risk as well as scenarios in which such actions are unlikely to alter the accident end-state.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Utilizing Novel Field and Data Exploration Methods to Explore Hot Moments in High-Frequency Soil Nitrous Oxide Emissions Data: Opportunities and Challenges

Soil nitrous oxide (N 2 O) emissions are an important driver of climate change and are a major mechanism of labile nitrogen (N) loss from terrestrial ecosystems. Evidence increasingly suggests that locations on the landscape that experience biogeochemical fluxes disproportionate to the surrounding matrix (hot spots) and time periods that show disproportionately high fluxes relative to the background (hot moments) strongly influence landscape-scale soil N 2 O emissions. However, substantial uncertainties remain regarding how to measure and model where and when these extreme soil N 2 O fluxes occur. High-frequency datasets of soil N 2 O fluxes are newly possible due to advancements in field-ready instrumentation that uses cavity ring-down spectroscopy (CRDS). Here, we outline the opportunities and challenges that are provided by the deployment of this field-based instrumentation and the collection of high-frequency soil N 2 O flux datasets. While there are substantial challenges associated with automated CRDS systems, there are also opportunities to utilize these near-continuous data to constrain our understanding of dynamics of the terrestrial N cycle across space and time. Finally, we propose future research directions exploring the influence of hot moments of N 2 O emissions on the N cycle, particularly considering the gaps surrounding how global change forces are likely to alter N dynamics in the future.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Predictive Complexity of Quantum Subsystems

We define predictive states and predictive complexity for quantum systems composed of distinct subsystems. This complexity is a generalization of entanglement entropy. It is inspired by the statistical or forecasting complexity of predictive state analysis of stochastic and complex systems theory but is intrinsically quantum. Predictive states of a subsystem are formed by equivalence classes of state vectors in the exterior Hilbert space that effectively predict the same future behavior of that subsystem for some time. As an illustrative example, we present calculations in the dynamics of an isotropic Heisenberg model spin chain and show that, in comparison to the entanglement entropy, the predictive complexity better signifies dynamically important events, such as magnon collisions. It can also serve as a local order parameter that can distinguish long and short range entanglement.

Asplund, Curtis T. (ORCID:0000000305575850)↗
DOE OSTI2023

Hybrid Manufacturing of Conformal Cooling Channels for Tooling

Computer-aided manufacturing (CAM) techniques for hybrid manufacturing have led to new application areas in the manufacturing industry. In the tooling industry, cooling channels are used to enable specific heating and cooling cycles to improve the performance of the process. These internal cooling channels have been designed with limited manufacturing processes in mind, so, until recently, they were often straight in shape for cross-drilling operations and manufactured from a cast billet. To show a novel application of this common technology, a tool with integrated conformal cooling channels was manufactured using hybrid manufacturing (blown-powder DED and CNC machining) techniques. The computer-aided manufacturing strategy used, and the lessons learned are presented and discussed to enable future work in this industrial application space.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Origin of the ring ellipticity in the black hole images of M87*

We investigate the origin of the elliptical ring structure observed in the images of the supermassive black hole M87*, aiming to disentangle contributions from gravitational, astrophysical, and imaging effects. Leveraging the enhanced capabilities of the Event Horizon Telescope (EHT)'s 2018 array, including improved (u,v)-coverage from the Greenland Telescope, we measured the ring's ellipticity using five independent imaging methods, obtaining a consistent average value of τ = 0.08−0.02+0.03 with a position angle of ξ = 50.1−7.6+6.2 degrees. To interpret this measurement, we compared it to general relativistic magnetohydrodynamic (GRMHD) simulations spanning a wide range of physical parameters including the thermal or nonthermal electron distribution function, spins, and ion-to-electron temperature ratios in both low- and high-density regions. We find no statistically significant correlation between spin and ellipticity in GRMHD images. Instead, we identify a correlation between ellipticity and the fraction of non-ring emission, particularly in nonthermal models and models with higher jet emission. These results indicate that the ellipticity measured from the M87* emission structure is consistent with that expected from simulations of turbulent accretion flows around black holes, where it is dominated by astrophysical effects rather than gravitational ones. Future high-resolution imaging, including space very long baseline interferometry and long-term monitoring, will be essential to isolate gravitational signatures from astrophysical effects.Key words: accretion, accretion disks / black hole physics / gravitation / galaxies: active** These authors have contributed equally to this work.*** NASA Hubble Fellowship Program, Einstein Fellow.† Deceased.

Dahale, Rohan [Granada U., Theor. Phys. Astrophys.↗
DOE OSTI2024

Leveraging regional mesh refinement to simulate future climate projections for California using the Simplified Convection-Permitting E3SM Atmosphere Model Version 0

Abstract. The spatial heterogeneity related to complex topography in California demands high-resolution (< 5 km) modeling, but global convection-permitting climate models are computationally too expensive to run multi-decadal simulations. We developed a 3.25 km California climate modeling framework by leveraging regional mesh refinement (CARRM) using the U.S. Department of Energy (DOE)'s global Simple Cloud-Resolving E3SM Atmosphere Model (SCREAM) version 0. Four 5-year time periods (2015–2020, 2029–2034, 2044–2049, and 2094–2099) were simulated by nudging CARRM outside California to 1° coupled simulation of E3SMv1 under the Shared Socioeconomic Pathways (SSP)5-8.5 future scenario. The 3.25 km grid spacing adds considerable value to the prediction of the California climate changes, including more realistic high temperatures in the Central Valley and much improved spatial distributions of precipitation and snowpack in the Sierra Nevada and coastal stratocumulus. Under the SSP5-8.5 scenario, CARRM simulation predicts widespread warming of 6–10 °C over most of California, a 38 % increase in statewide average 30 d winter–spring precipitation, a near-complete loss of the alpine snowpack, and a sharp reduction in shortwave cloud radiative forcing associated with marine stratocumulus by the end of the 21st century. We note a climatological wet precipitation bias for the CARRM and discuss possible reasons. We conclude that SCREAM RRM is a technically feasible and scientifically valid tool for climate simulations in regions of interest, providing an excellent bridge to global convection-permitting simulations.

58 GEOSCIENCES↗
DOE OSTI2024

Predictions for a Low-mass Cutoff for the Primordial Black Hole Mass Spectrum

In this note, we outline how a modest violation in the conservation of mass during the merger of two PBHs affects the PBH mass spectrum that we previously obtained using a Boltzmann equation model for the evolution of the mass spectrum with no mass loss. We find that if the initial cosmological redshift is of the order of 10 12 , then the fraction of primordial holes with masses greater than 10 3 solar masses appears to be close to what is required to provide the seeds for galaxies. In addition, we note that as a result of rapid collisions and strong coupling to electromagnetic radiation for temperatures > GeV, there will be an effective low-mass cutoff in the mass spectrum for PBH masses less than a certain PBH mass less than 0.1M ⊙ . We also point out that this cutoff in the mass spectrum below ~ 0.1M ⊙ can be confirmed by combining future microlensing observations from the Roman Space Telescope and the Vera C. Rubin Observatory with astrometric observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Pillars of Innovation Across Southeast Idaho & the Interstate-15 Corridor

Since 1949, Idaho National Laboratory (INL) has been home to developing civilian and defense nuclear reactor technologies and managing spent nuclear fuel. Today, INL is the nation’s nuclear energy research laboratory, sustaining the safe and efficient operation of existing reactors, powering science in space, and breaking ground on the future fleet of advanced nuclear reactors. INL is only one of many rising technology resources in the region, however. Along the Interstate 15 (I-15) corridor, technology and cybersecurity industries and intellectual assets are rapidly expanding. Creating an innovation hub in this region would unite capabilities to solve current and future challenges in nuclear reactor sustainment and expanded deployment, integrated fuel cycle solutions, integrated energy systems, advanced materials and manufacturing for extreme environments, and secure and resilient cyber-physical systems.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗