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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Self-similar Cosmic-Ray Transport in High-resolution Magnetohydrodynamic Turbulence

We study the propagation of cosmic rays (CRs) through a simulation of magnetohydrodynamic (MHD) turbulence at an unprecedented resolution of 10,240 3 . We drive turbulence that is subsonic and super-Alfvénic, characterized by δB rms /B 0 = 2. The high resolution enables an extended inertial range such that the Alfvén scale l A , where δB(l A ) ≈ B 0 , is well resolved. This allows us to properly capture how the cascade transitions from large amplitudes on large scales to small amplitudes on small scales. We find that sharp bends in the magnetic field are key mediators of particle transport even on small scales via resonant curvature scattering. We further find that particle scattering in the turbulence shows strong hints of self-similarity: (1) the diffusion has a weak energy dependence over almost two decades in particle energy, and (2) the particles’ random walk exhibits a broad power-law distribution of collision times such that the diffusion is dominated by the rarest, long-distance excursions. Our results suggest that large-amplitude MHD turbulence can provide efficient scattering over a wide range of CR energies and may help explain many CR observations above a ∼TeV: the flattening of the B/C spectrum, the hardening of CR primary spectra, and the weak dependence of arrival anisotropy on CR energy.

Kempski, Philipp [Princeton Univ., NJ (United Stat↗
DOE OSTI2022

What Would It Take to Manufacture Perovskite Solar Cells in Space?

Imagine: Astronauts land on the moon. They verify their arrival with mission control and perform system checks and validations. After the dust settles, they open the airlock of the landing vehicle and venture outside. A side hatch opens, and a flexible substrate slowly unfurls on a boom. A series of printer heads raster, hovering over the substrate and sequentially vapor-depositing the constituent layers of a perovskite solar module. In time, a 1-megawatt array has been manufactured on the moon and can now be connected to supply power to the Artemis Base Camp. This ambitious vision could someday become a reality.

14 SOLAR ENERGY↗
DOE OSTI2026

Predicting multiphase flow and tracer transport for an underground chemical explosive test

Detecting radionuclide gas seepage from clandestine underground nuclear tests is central to nonproliferation explosion monitoring research. Yet, early-time (<6 day) gas transport driven by the explosive pressure wave remains poorly constrained due to scarcity of field data. We simulate multi-phase gas transport in the vadose zone using pre-shot data from a recent chemical explosion in P-Tunnel at the Nevada National Security Site, USA. Despite using a simplified 2D-radial model, predictions of tracer arrival matched observations within one order-of-magnitude. Our results show how transient blast forcing rapidly mobilizes gases from the cavity into surrounding rock – critical for optimizing sensor placement and test planning. This unique integration of field data and modeling represents a significant improvement in our ability to predict gas migration from underground explosions. More broadly, it offers insights into the coupled dynamics of pressure waves and contaminant transport in the vadose zone, with implications for monitoring and hazard assessment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

The effects of earth model uncertainty on the inversion of seismic data for seismic source functions

SUMMARY We use Monte Carlo simulations to explore the effects of earth model uncertainty on the estimation of the seismic source time functions that correspond to the six independent components of the point source seismic moment tensor. Specifically, we invert synthetic data using Green’s functions estimated from a suite of earth models that contain stochastic density and seismic wave-speed heterogeneities. We find that the primary effect of earth model uncertainty on the data is that the amplitude of the first-arriving seismic energy is reduced, and that this amplitude reduction is proportional to the magnitude of the stochastic heterogeneities. Also, we find that the amplitude of the estimated seismic source functions can be under- or overestimated, depending on the stochastic earth model used to create the data. This effect is totally unpredictable, meaning that uncertainty in the earth model can lead to unpredictable biases in the amplitude of the estimated seismic source functions.

58 GEOSCIENCES↗
DOE OSTI2020

Resilient U.S. Land Ports of Entry

The continued operation of Land Ports of Entry (LPOE), managed by the Customs and Border Protection (CBP) and General Services Administration% is vital to the U.S. economy and security. Border faculties are included in the Department of Homeland Security (DHS) Government Facilities Sector2, one of the 16 critical infrastructures "whose assets, systems, and networks, whether physical or virtual, are considered so vital to the United States that their incapacitation or destruction would have a debilitating effect on security, national economic security, national public health or safety, or any combination thereof.'" Specifically, disruptions to the flow of border crossing traffic, in the form of closures or increased border crossing wait times, impact the economy and security of all countries involved. This paper describes a process for analyzing and improving the resilience of U.S. Land Ports of Entry. For LPOE, the team believes that energy resilience is the primary objective due to the complete reliance on the e-manifest system and the increasing use of Multi-Energy Portals (MEPs). Emanifests are part of CPB's Automated Commercial Environment (ACE). They document several key pieces of information about cargo vehicles wishing to cross the border into the United States and are submitted before arriving at the port. Vehicles can be flagged for more invasive inspection based on the content of the e-manifest. MEPs are a non-intrusive inspection (NII) technology used to scan the contents of the cargo. Together MEPs and ACE serve an important role in aiding CBP with their mission to protect "the public from dangerous people and materials", and "enabling legitimate trade and travel.'" To analyze resilience of a port, the team would need to understand the port's current energy usage, which systems depend on energy and what backup systems exist, and any emergency operation plans that dictate how systems are operated in the event of a power outage. The team would also need to determine the design basis threats (DBTs) for the LPOE which could include natural disasters, manmade events, and accidents. The magnitudes of the DBTs are calculated and are then translated to expected impacts on the infrastructure and systems at the port. With this information gathered, existing LPOE models developed here at Sandia National Laboratories could be extended to support decisions about resilience. Current models are implemented in FlexSim, a 3rd party discrete event simulator. FlexSim provides 3-D visuals of physical layout that can reveal valuable insights, allows input to be variable (e.g. time it takes to interact with the CBP officer at primary inspection can vary) so that a whole range of possibilities can be captured in the results, and can be used to collect user-defined output metrics. Current LPOE models focus on cargo vehicle traffic, and process changes caused by the installation of new drive-through MEPs. Extending them to address resilience questions would require the addition of key pieces of information learned during the resilience analysis including critical systems, failure rates, and process changes for when failures occur. The primary output metric for current models is border crossing wait time. Additional metrics would also be added to the model to gain a more complete understanding of impacts related to resilience, for example, MEP scan rate. Once complete, the model could be used to analyze the effectiveness of mitigation strategies representing some future state.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Computational Design of Alloys for Energy Technologies

Advanced materials that maintain their mechanical performance under elevated temperatures, corrosive environments, and a range of static and evolving stresses are needed to improve the efficiency and reduce the environmental impact of a wide spectrum of energy technologies. For instance, cost-efficient alloys that can withstand high temperatures (e.g., 700 °C) have a critical role in improving the efficiency and economics of power generation to support decarbonization of the energy sector; such is true of both the nuclear and fossil energy sectors. Considering both the threats of the energy crisis, namely soaring costs of greenhouse gas emission-producing energy and climate change, it is essential to increase the pace of material discovery and enable rapid paths for material qualification to advance clean energy technologies. Conventionally, alloy development has followed a slow Edisonian process that uses repeated cycles of making, characterizing, and modifying to arrive at optimum composition and processing conditions to achieve the desired component performance. This optimization is followed by the necessary stepwise materials qualification. Furthermore, the increasing adoption of sound data management and physics-informed machine learning represents the next step in the acceleration of materials design and development. In the integrated computational materials engineering (ICME) approach, computational modeling and simulation data from different length and time scales can be combined with complex microstructural details from multimodal experimental characterization and selective property testing to close the design loop for rapid alloy development.

Computational Design Of Materials↗
DOE OSTI2025

High-speed Boulders and the Debris Field in DART Ejecta

On 2022 September 26 the Double Asteroid Redirection Test (DART) spacecraft collided with Dimorphos, the moon of the near-Earth asteroid 65803 Didymos, in a full-scale demonstration of a kinetic impactor concept. The companion Light Italian Cubesat for Imaging of Asteroids (LICIACube) spacecraft documented the aftermath, capturing images of the expansion and evolution of the ejecta from 29 to 243 s after the impact. We present results from our analyses of these observations, including an improved reduction of the data and new absolute calibration, an updated LICIACube trajectory, and a detailed description of the events and phenomena that were recorded throughout the flyby. One notable aspect of the ejecta was the existence of clusters of boulders, up to 3.6 m in radius, that were ejected at speeds of up to 52 m s −1 . Our analysis of the spatial distribution of 104 of these boulders suggests that they are likely the remnants of larger boulders shattered by the DART spacecraft in the first stages of the impact. The amount of momentum contained in these boulders is more than 3 times that of the DART spacecraft, and it is directed primarily to the south, almost perpendicular to the DART trajectory. Recoil of Dimorphos from the ejection of these boulders has the potential to change its orbital plane by up to a degree and to impart a non-principal-axis component to its rotation state. Damping timescales for these phenomena are such that the Hera spacecraft, arriving at the system in 2026, should be able to measure these effects.

asteroid dynamics↗
DOE OSTI2020

Characterization of partially observed epidemics through Bayesian inference: application to COVID-19

We demonstrate a Bayesian method for the "real-time'" characterization and forecasting of partially observed COVID-19 epidemic. Characterization is the estimation of infection spread parameters using daily counts of symptomatic patients.The method is designed to help guide medical resource allocation in the early epoch of the outbreak. The estimation problem is posed as one of Bayesian inference and solved using a Markov chain Monte Carlo technique. The data used in this study was sourced before the arrival of the second wave of infection in July 2020. The proposed modeling approach, when applied at the country level, generally provides accurate forecasts at the regional, state and country level. The epidemiological model detected the flattening of the curve in California, after public health measures were instituted.The method also detected different disease dynamics when applied to specific region of New Mexico

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Large-scale Cosmic-ray Anisotropies with 19 yr of Data from the Pierre Auger Observatory

Results are presented for the measurement of large-scale anisotropies in the arrival directions of ultra–high-energy cosmic rays detected at the Pierre Auger Observatory during 19 yr of operation, prior to AugerPrime, the upgrade of the observatory. The 3D dipole amplitude and direction are reconstructed above 4 EeV in four energy bins. Besides the established dipolar anisotropy in R.A. above 8 EeV, the Fourier amplitude of the 8–16 EeV energy bin is now also above the 5σ discovery level. No time variation of the dipole moment above 8 EeV is found, setting an upper limit to the rate of change of such variations of 0.3% yr$^{−1}$ at the 95% confidence level. Additionally, the results for the angular power spectrum are shown, demonstrating no other statistically significant multipoles. The results for the equatorial dipole component down to 0.03 EeV are presented, using for the first time a data set obtained with a trigger that has been optimized for lower energies. Finally, model predictions are discussed and compared with observations, based on two source emission scenarios obtained in the combined fit of spectrum and composition above 0.6 EeV.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Detecting an underground tunnel by applying joint traveltime and waveform inversion

Underground tunnel and void detection is a challenging geophysical problem, and many methods have been proposed. Seismic techniques are promising because of the large seismic velocity contrasts between the air-filled void and the surrounding sediment and concrete. We apply a joint seismic traveltime and waveform inversion method to image a buried tunnel with concrete walls and a void space inside. The joint inversion images the top of the concrete tunnel as a high-velocity anomaly and the void space as a low-velocity anomaly. The location of the velocity anomalies predicted by the method agrees with the known location of the tunnel. As a comparison, the stand-alone full waveform inversion is also applied to the data. The first-arrival traveltime tomography shows weak nonlinearity but fails to image the hidden low-velocity layer. Full waveform inversion is able to image complex near-surface structures, but fitting waveforms may not honor the traveltime fit, especially when the data contain noise. Synthetic and real data tests show that the joint inversion method retains the advantages of both traveltime inversion and full waveform inversion and overcomes their respective drawbacks at the same time. The field example shows the joint inversion provides a better reconstruction of the high-velocity feature representing the top of the concrete wall in terms of its magnitude and location.

58 GEOSCIENCES↗
DOE OSTI2026

Topographic effects on reflected acoustic waves from the OSIRIS-REx reentry observed from stratospheric balloons

During long-distance sound propagation in planetary atmospheres, acoustic waves may reflect off the air/surface interface one or more times. For low sound frequencies and flat interfaces, the incident and reflected wave tend to be nearly identical. However, this may not be the case when the downgoing acoustic wave encounters topography. Here, we describe a set of direct and reflected acoustic signals recorded on free-flying balloons during the hypersonic entry of the OSIRIS-REx sample return capsule (SRC). In two of the three cases presented here, an impulsive reflected arrival similar in form to the direct sonic boom of the SRC is observed, followed by a diffuse coda. In contrast, one of the floating stations lacked an impulsive reflection entirely, with only the coda present. We use full waveform modeling to show how reflection in the presence of complex topography can explain coda seen in all three examples as well as the lack of impulsive arrival on the third. Our results indicate that the complex signals often observed in long range acoustic propagation could be due, in part, to interactions with topography during transmission.

Lees, Jonathan M. [University of North Carolina, C↗
DOE OSTI2022

Investigating color screening in proton-nucleus collisions with complex potentials*

Abstract Color screening and parton inelastic scattering modify the heavy-quark antiquark potential in mediums consisting of particles from quantum chromodynamics (QCD), leading to the suppression of quarkonium production in relativistic heavy-ion collisions. Owing to the small charm/anti-charm ( ) pair production number in proton-nucleus ( pA ) collisions, the correlation between different pairs is negligible, which makes the Schrödinger equation viable for tracking the evolution of only one pair. We employ the time-dependent Schrödinger equation with an in-medium potential to study the evolution of charmonium wave functions in a hydrodynamic-like QCD medium produced in pA collisions. We explore different parametrizations of real and imaginary parts of the potential and calculate the nuclear modification factors ( ) of and in TeV energy p -Pb collisions at the Large Hadron Collider (LHC). Comparing strong and weak screening scenarios with experimental data in this approach, we arrive at the conclusion that color screening is weak at temperatures close to the deconfined phase transition. Moreover, the imaginary part of the potential is crucial in describing the experimental data, which is consistent with widely studied semi-classical approaches, where dissociation rates are essential.

Physics↗
DOE OSTI2024

Performance-based earthquake early warning for tall buildings

The ShakeAlert Earthquake Early Warning (EEW) system aims to issue an advance warning to residents on the West Coast of the United States seconds before the ground shaking arrives, if the expected ground shaking exceeds a certain threshold. However, residents in tall buildings may experience much greater motion due to the dynamic response of the buildings. Therefore, there is an ongoing effort to extend ShakeAlert to include the contribution of building response to provide a more accurate estimation of the expected shaking intensity for tall buildings. Currently, the supposedly ideal solution of analyzing detailed finite element models of buildings under predicted ground-motion time histories is not theoretically or practically feasible. The authors have recently investigated existing simple methods to estimate peak floor acceleration (PFA) and determined these simple formulas are not practically suitable. Instead, this article explores another approach by extending the Pacific Earthquake Engineering Research Center (PEER) performance-based earthquake engineering (PBEE) to EEW, considering that every component involved in building response prediction is uncertain in the EEW scenario. Additionally, while this idea is not new and has been proposed by other researchers, it has two shortcomings: (1) the simple beam model used for response prediction is prone to modeling uncertainty, which has not been quantified, and (2) the ground motions used for probabilistic demand models are not suitable for EEW applications. In this article, we address these two issues by incorporating modeling errors into the parameters of the beam model and using a new set of ground motions, respectively. We demonstrate how this approach could practically work using data from a 52-story building in downtown Los Angeles. Using the criteria and thresholds employed by previous researchers, we show that if peak ground acceleration (PGA) is accurately estimated, this approach can predict the expected level of human comfort in tall buildings.

58 GEOSCIENCES↗
DOE OSTI2022

Generating traffic-based building occupancy schedules in Chattanooga, Tennessee from a grid of traffic sensors

Building occupancy significantly impacts energy use, timing for demand impacts, and is a significant source of uncertainty in building energy models. There are relatively few sources that define building occupancy schedules and number of occupants per building or space type. More importantly, these sources define traditional schedules that are likely not to reflect the true occupancy of a given building. We construct traffic-based occupancy schedules which are more responsive to changes in mobility patterns, and which can realistically estimate occupant arrivals, departures, and counts in individual buildings.

Berres, Andy↗
DOE OSTI2020

Quantum computation of silicon electronic band structure

Development of quantum architectures during the last decade has inspired hybrid classical–quantum algorithms in physics and quantum chemistry that promise simulations of fermionic systems beyond the capability of modern classical computers, even before the era of quantum computing fully arrives. Strong research efforts have been recently made to obtain minimal depth quantum circuits which could accurately represent chemical systems. Here, we show that unprecedented methods used in quantum chemistry, designed to simulate molecules on quantum processors, can be extended to calculate properties of periodic solids. In particular, we present minimal depth circuits implementing the variational quantum eigensolver algorithm and successfully use it to compute the band structure of silicon on a quantum machine for the first time. We are convinced that the presented quantum experiments performed on cloud-based platforms will stimulate more intense studies towards scalable electronic structure computation of advanced quantum materials.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Supplemental material for paper "Radiosonde-to-Space (R2S) atmospheric specifications: Bridging observations and models for infrasound propagation"

This document describes the supplemental materials for the paper: TITLE: "Radiosonde-to-Space (R2S) atmospheric specifications: Bridging observations and models for infrasound propagation" DOI: xxxxxxxxxxx JOURNAL: TBD Written by Loring Schaible, September 17, 2025 This folder contains eight subfolders, each for a specific date and UTC time (in format YYYY-MM-DD_HH). All eight of these dates are exemplified and described in the manuscript. Within each folder is six documents. As an example, consider the folder "2022-12-31_00". The six files are comprised of: - Two text files (extension .txt) that describe the atmospheric specifications of Albuquerque, NM. One is the G2S model, the other is the R2S model. "G2S_2022-12-31_00.txt" "R2S_2022-12-31_00.txt" - Two text files (extension .dat) that contain the ground arrivals predicted by infraGA using the parameters described in the manuscript. One each for the two atmospheric specification models above, G2S and R2S. "G2S_2022-12-31_00.arrivals.dat" "R2S_2022-12-31_00.arrivals.dat" - Two image files (extension .png) that illustrate the predicted arrivals contained in the two files above. One image shows all arrivals as either black (G2S) or red (R2S). The other image shows the same but with arrivals common to both models in gray. "2022-12-31_00_Arrivals.png" "2022-12-31_00_DifArrivals.png"

Schaible, Loring Pratt [Sandia National Laboratori↗
DOE OSTI2024

An Incremental Tensor Train Decomposition Algorithm

We present a new algorithm for incrementally updating the tensor train decomposition of a stream of tensor data. This new algorithm, called the tensor train incremental core expansion (TT-ICE) improves upon the current state-of-the-art algorithms for compressing in tensor train format by developing a new adaptive approach that incurs significantly slower rank growth and guarantees compression accuracy. This capability is achieved by limiting the number of new vectors appended to the TT-cores of an existing accumulation tensor after each data increment. These vectors represent directions orthogonal to the span of existing cores and are limited to those needed to represent a newly arrived tensor to a target accuracy. We provide two versions of the algorithm: TT-ICE and TT-ICE accelerated with heuristics (TT-ICE*). Here, we provide a proof of correctness for TT-ICE and empirically demonstrate the performance of the algorithms in compressing large-scale video and scientific simulation datasets. Compared to existing approaches that also use rank adaptation, TT-ICE* achieves 57× higher compression and up to 95% reduction in computational time.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Development and application of hybrid AIMD/cDFT simulations for atomic-to-mesoscale chemistry

Many important chemical processes involve reactivity and dynamics in complex solutions. Gaining a fundamental understanding of these reaction mechanisms is a challenging goal that requires advanced computational and experimental approaches. However, important techniques such as molecular simulation have limitations in terms of scales of time, length, and system complexity. Furthermore, among the currently available solvation models, there are very few designed to describe the interaction between the molecular scale and the mesoscale. To help address this challenge, here, we establish a novel hybrid approach that couples first-principles plane-wave density functional theory with classical density functional theory (cDFT). In this approach, a region of interest described by ab initio molecular dynamics (AIMD) interacts with the surrounding medium described using cDFT to arrive at a self-consistent ground state. cDFT is a robust but efficient mesoscopic approach to accurate thermodynamics of bulk electrolyte solutions over a wide concentration range (up to 2M concentrations). Benchmarking against commonly used continuum models of solvation, such as SMD, as well as experiments, demonstrates that our hybrid AIMD–cDFT method is able to produce reasonable solvation energies for a variety of molecules and ions. With this model, we also examined the solvent effects on a prototype S N 2 reaction of the nucleophilic attack of a chloride ion on methyl chloride in the solution. The resulting reaction pathway profile and the solution phase barrier agree well with experiment, showing that our AIMD/cDFT hybrid approach can provide insight into the specific role of the solvent on the reaction coordinate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗