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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

Low-Lying Excited States of Linear All- Trans Polyenes: Insights from Analytic Gradient and Nonadiabatic Coupling Calculations Based on Multireference Configuration Interaction

Polyenes serve as a rigorous test for theoretical models and electronic structure methods, playing a key role in advancing computational and theoretical chemistry. Here, we present a high-level theoretical investigation of linear, all-trans polyenes using energy gradients and nonadiabatic coupling vectors based on an MR-CISD wave function to describe electronic transitions involving the ground state (1 1 A g – ) and three low-lying excited states (2 1 A g – , 1 1 B u + , and 2 1 B u – ) of hexatriene, octatetraene, and decapentaene. This approach enables accurate evaluation of both adiabatic and vertical excitation and emission energies, yielding results in excellent agreement with experiment, as well as locating minima on the crossing seam between adiabatic states. Our results show that vertical excitation energies to the 1 1 B u + state are blue-shifted by 0.2–0.3 eV relative to the experimental absorption maximum, whereas the vertical emission energy from the 2 1 A g – state is red-shifted by ∼0.2 eV relative to the experimental emission maximum. Upon relaxation from the Franck–Condon geometry, the 2 1 A g – state stabilizes by around 1 eV, compared to 0.2–0.3 eV for the 1 1 B u + state. An analysis of the S 1 /S 0 crossing seam in hexatriene shows that its minimum involves asymmetric backbone deformations and provides an efficient channel for ultrafast internal conversion to the ground state, consistent with the absence of detectable fluorescence in this molecule. These results demonstrate the power of analytic gradients and nonadiabatic coupling vectors based on an MR-CISD wave function for accurately characterizing the electronic structure and photophysics of polyenes.

Excited states↗
DOE OSTI2025

Direct Observations of Surface Fluxes and Air‐Sea Exchange Coefficients in Low Winds Using a Small Uncrewed Aircraft System

In the marine boundary layer, the exchange of momentum, heat, and moisture occurs between the atmosphere and ocean. Since it is too dangerous for a crewed aircraft to fly close to the ocean surface to directly obtain these measurements, a sUAS (small Uncrewed Aircraft System) is one of the only viable options. On 24 March 2023 a Black Swift Technologies S0 sUAS was deployed from the NOAA P-3 on a calm clear day off the west coast of Florida. For 23 min at the end of the mission, the sUAS flew 8 straight line legs with an average length of 2.15 km, at roughly 10 m above the ocean surface, with wind speeds between 3.0 and 4.5 m s −1 . For the first time over the open ocean using a sUAS, the 4-Hz wind and thermodynamic data was used to calculate surface momentum flux, sensible heat flux, and latent flux using both direct covariance methods and the bulk aerodynamic formulas. Since all the flux quantities can be found using both direct and indirect methods, we are able to calculate the exchange coefficients of momentum flux (C D ), latent heat flux (C E ), and sensible heat flux (C H ) with results that are generally in good agreement with previous studies over the same wind speed range. This study demonstrates the ability of sUAS to measure air-sea interactions. Future intention is to use sUAS to obtain similar measurements in high wind events such as hurricanes which could better help understand hurricane intensification and improve model physics.

Deloach, Christopher J. [Embry-Riddle Aeronautical↗
DOE OSTI2025

Statistical Survey of Magnetic Flux Integral Quantities in Saturn's Magnetosphere

Magnetic flux integral quantities (e.g., flux tube entropy, flux tube content) are conserved quantities under the frozen-in assumption. The change of these quantities often indicates the violation of the frozen-in condition (e.g., interchange instability). In this study, we combine the Cassini CAPS and CHEMS moments data with a steady-state magnetic field model (i.e., the Caudal model) to estimate the flux tube mass and flux tube entropy in Saturn's magnetosphere. Our statistical survey found that the flux tube mass rapidly decreases with radial distance away from Saturn in the inner magnetosphere and roughly levels out in the middle magnetosphere. This indicates that the radial transport processes could occur via a double-reconnection process in the inner magnetosphere, while the radial transport processes appear to be more advective in the middle magnetosphere. Notice that Saturn's magnetosphere is stabilized by a radially increasing profile of flux tube entropy and destabilized by a radially decreasing profile of flux tube content. In this study, we also estimate the expected penetration location by using the flux tube interchange stability formalism developed by Southwood and Kivelson (1987, https://doi.org/10.1029/ja092ia01p00109). The results show that flux tube entropy can play a crucial role in braking the injections, while the flux tube content has a relatively smaller influence on the injected flux tube, being consistent with our previous case study by Wing et al. (2022, https://doi.org/10.3847/1538-4357/ac85b2).

Ma, Xuanye [Embry-Riddle Aeronautical University, ↗
DOE OSTI2026

Investigation of Causal Relationships of the Cross‐Scale Wave Coupling Through Information Theoretical Approach

On 2015 October 2, MMS spacecraft observed an electron micro-injection event near the southern hemispheric high-altitude cusp, coinciding with intense wave activity across several frequency bands. Here, we investigated the MMS magnetic field and plasma during this event to explore cross-scale coupling among the wave modes. Employing the Hilbert-Huang transform, we perform an empirical mode decomposition to extract frequencies and amplitudes of the intrinsic mode functions (IMFs). In this analysis, we establish both linear and nonlinear relationships and examine the information transfer between the IMFs. Notably, the transfer entropy suggests that high frequency ion cyclotron waves may be driven by the mirror mode structures. Our case study effectively demonstrates the utility of the information theory based tools for studying cross-scale wave coupling phenomena.

Rivera, Elmer C. [Andrews University, Berrien Spri↗
DOE OSTI2025

Updated parameters of the LArQL model

The need for a microscopic description of scintillation light generation in liquid argon becomes increasingly desirable with the upcoming operation of large scale LArTPCs in the next decade. While a detailed mathematical account of the process is still to be achieved, a phenomenological model for simultaneously treating ionization and scintillation, LArQL, has been successfully employed to describe the range of electric fields from 0 to 0.75 kV/cm and dE/dx from 2 to 40 MeV/cm providing the anti-correlation between the free ionization charge and scintillation light. A reanalysis of the original model parameter values has been performed within a global fit procedure and is presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Controlled environment agriculture: An opportunity to strengthen interagency research collaboration in the US government

Challenges facing food production and agricultural systems are increasingly interconnected with economic, security, health, and equity issues, among others. Threats such as extreme weather, economic volatility, and shrinking water resources and arable land, influence our ability to maintain a safe and resilient food supply. One promising solution to these threats is controlled environment agriculture (CEA). In many cases, CEA can drastically reduce the amount of water and land used in crop production while increasing productivity. Operations may be established in nearly any environment and harvests can take place year-round, supporting food system resiliency and sustainability. CEA sits at the nexus of a number of disciplines and industries, making it well suited for transdisciplinary and multi-institutional research coordination. Herein, authors from multiple US government agencies present CEA as a case study in improving cross-agency research collaboration. The federal government houses a range of scientific expertise and research capabilities, positioning scientists to lead national and global efforts in transdisciplinary, interagency approaches to complex challenges. Navigating cross-agency collaboration can be a challenge, especially coordinating across different scientific disciplines, geographic locations, and funding mechanisms. To enhance multiagency efforts, collaborators could prioritize (i) organizing personnel and resources, (ii) enhancing existing multiagency collaborations, and (iii) focusing on further opportunities for coordination. Adopting these approaches could enable federal researchers to reinforce and advance academic and industry efforts to address current CEA challenges while solidifying the United States as a leader in this arena.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Addendum to "Testing meson portal dark sector solutions to the MiniBooNE anomaly at CCM"

In Aguilar-Arevalo et al. [Phys. Rev. D 109, 095017 (2024)], we explored various effective field theories that could explain the MiniBooNE excess involving long-lived particles produced from charged meson decays and the sensitivity of the Coherent CAPTAIN Mills experiment to these models. In this addendum, we extend the analysis to project sensitivity of upcoming MicroBooNE data to the long-lived particle models considered in the previous work. We find that a dedicated MicroBooNE analysis of the single photon final state with longer exposure and improved signal efficiency will be sensitive to these new physics explanations of the MiniBooNE excess, and could rule them out with a null observation at the 95% confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Solar Modulation of Cosmic Nuclei over a Solar Cycle: Results from the Alpha Magnetic Spectrometer

We report the properties of precision time structures of cosmic nuclei He, Li, Be, B, C, N, and O fluxes over an 11-year solar cycle from May 2011 to November 2022 in the rigidity range from 1.92 to 60.3 GV. The nuclei fluxes show similar but not identical time variations with amplitudes decreasing with increasing rigidity. In particular, below 3.64 GV the Li, Be, and B fluxes, and below 2.15 GV the C, N, and O fluxes, are significantly less affected by solar modulation than the He flux. We observe that these differences in solar modulation are linearly correlated with the differences in the spectral indices of the cosmic nuclei fluxes. This shows, in a model-independent way, that solar modulation of galactic cosmic nuclei depends on their spectral shape. In addition, solar modulation differences due to nuclei velocity dependence on the mass-to-charge ratio (𝐴/𝑍) are not observed.

cosmic ray composition & spectra↗
DOE OSTI2025

Antiprotons and Elementary Particles over a Solar Cycle: Results from the Alpha Magnetic Spectrometer

We present results over an 11-year Solar cycle of cosmic antiprotons based on 1.1 × 10 6 events in the rigidity range from 1.00 to 41.9 GV. The $\bar{𝑝}$ fluxes exhibit distinct properties. The magnitude of the $\bar{𝑝}$ flux temporal variation is significantly smaller than those of 𝑝, 𝑒 − , and 𝑒 + . A hysteresis between the $\bar{𝑝}$ fluxes and the 𝑝 fluxes is observed, whereas the $\bar{𝑝}$ and 𝑒 − fluxes show a linear correlation. With a model-independent analysis, we found a universal relation between the shape of the rigidity spectrum and the magnitude of flux temporal variation over an 11-year Solar cycle for both positively and negatively charged particles. The simultaneous results on $\bar{𝑝}$ and 𝑝, 𝑒 − , and 𝑒 + provide unique information for understanding particle transport in the Solar System as a function of mass, charge, and spectral shape.

cosmic ray composition & spectra↗
DOE OSTI2025

Properties of Cosmic Lithium Isotopes Measured by the Alpha Magnetic Spectrometer

We present the first measurement of cosmic-ray fluxes of 6 Li and 7 Li isotopes in the rigidity range from 1.9 to 25 GV. The measurements are based on 9.7 × 10 5 6 Li and 1.04 × 10 6 7 Li nuclei collected by the Alpha Magnetic Spectrometer on the International Space Station from May 2011 to October 2023. We observe that over the entire rigidity range the 6 Li and 7 Li fluxes exhibit nearly identical time variations and, above ∼4 GV, the time variations of 6 Li , 7 Li , He, Be, B, C, N, and O fluxes are identical. Above ∼7 GV, we find an identical rigidity dependence of the 6 Li and 7 Li fluxes. This shows that they are both produced by collisions of heavier cosmic-ray nuclei with the interstellar medium and, in particular, excludes the existence of a sizable primary component in the 7 Li flux.

cosmic ray acceleration↗
DOE OSTI2025

Rapid SACR Observations of Convection at Bankhead National Forest (RAPID) Field Campaign Report

Improving our representation of convective cell processes requires better quantification of convective clouds throughout their entire life cycle. This includes gaining a clearer understanding of the controls on key convective cloud properties, such as updraft intensity, particle size distributions, rainfall rates, and hydrometeor species. Our inability to improve convective cloud process modeling stems, in part, from a limited understanding of convective cell properties, particularly given how rapidly these storms evolve. This lack of detailed observations in the most intense and organized convective storms is especially significant, as large errors remain in representing these clouds, which are critical for severe weather prediction and Earth system model performance. Cloud and precipitation radars are essential tools for studying cloud microphysics and dynamics, particularly in deeper convective clouds. The recent U.S. Department of Energy Atmospheric Radiation Measurement (ARM) User Facility’s third Mobile Facility (AMF3) Bankhead National Forest (BNF) deployment provides a unique opportunity to investigate important land–atmosphere interactions, as well as the environmental controls on deep convective cloud processes, in a location favorable for frequent convection. We operate the X/Ka-band Scanning ARM Cloud Radar (X/Ka SACR) using a scan strategy optimized to capture these rapidly evolving clouds and their properties, thereby improving studies of deep convective cloud processes. This effort is strengthened by a complementary and coordinated partnership with ongoing university and multi-agency radar activities collocated in north Alabama—a unique opportunity to examine clouds and precipitation from a lifetime-centric perspective.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

First‐Order Empirical Interpolation Method for Real‐Time Solution of Parametric Time‐Dependent Nonlinear PDEs

ABSTRACT We present a model reduction approach for the real‐time solution of time‐dependent nonlinear partial differential equations (PDEs) with parametric dependencies. A major challenge in constructing efficient and accurate reduced‐order models for nonlinear PDEs is the efficient treatment of nonlinear terms. We address this by unifying the implementation of hyperreduction methods to deal with nonlinear terms. Furthermore, we introduce a first‐order empirical interpolation method (EIM) to provide an efficient approximation of the nonlinear terms in time‐dependent PDEs. We demonstrate the effectiveness of our approach on the Allen–Cahn equation, which models phase separation, and the Buckley–Leverett equation, which describes two‐phase fluid flow in porous media. Numerical results highlight the accuracy, efficiency, and stability of the proposed method compared with both the Galerkin–Newton approach and hyper‐reduced models using the standard EIM.

Nguyen, Ngoc Cuong [Center for Computational Engin↗
DOE OSTI2023

Correcting distortions of thin-walled machined parts by machine hammer peening

Thin-walled aerostructural components frequently get distorted after the machining process. Reworking to correct distortions or eventually rejecting parts significantly increases the cost. This paper proposes a new approach to correct distortions in thin-walled components by strategically applying hammer peening on target surfaces of a machined component. Aluminium alloy 7475-T7351 was chosen for this research. The study was divided in two stages. First, the residual stresses (RS) induced by four different pneumatic hammer peening conditions (modifying the stepover distance and initial offset) were characterised in a test coupon, and one of the conditions was selected for the next stage. In the second stage, a FEM model was used to predict distortions caused by machining in a representative workpiece. Then, the RS induced by hammer peening were included in an FEM model to define two hammer peening strategies (varying the coverage area) to analyse the capability to reduce distortions. Two workpieces were machined and then treated with the simulated hammer peening strategies for experimental validation. Results in the test coupon showed that pneumatic hammer peening can generate high compressive RS (-50 to –350 MPa) up to 800 μm depth, with their magnitude increasing with a reduced stepover distance. Application of hammer peening over 4% of the surface of the representative workpiece reduced the machining-induced distortions by 37%, and a coverage area of 100% led to and overcorrection by a factor of five. This confirms that hammer peening can be strategically applied (in target areas and changing the percentage of coverage) to correct low or severe distortions.

42 ENGINEERING↗
DOE OSTI2024

Oxidation of Silicon Carbide with Atomic Oxygen through the Passive-to-Active Transition

The inelastic and reactive scattering dynamics of O( 3 P) atoms on a 6H-silicon carbide (SiC) surface were investigated as a function of temperature with a molecular beam-surface scattering technique that employed a rotatable mass spectrometer detector. One set of experiments used a pulsed hyperthermal beam that produced ~8 km s –1 O atoms, and another set of experiments used a continuous beam that contained O atoms with a nominal velocity of ~2 km s –1 . When exposed to the relatively low-flux, pulsed hyperthermal O-atom beam, a passive oxide layer on the SiC that formed at lower temperatures decomposed as the temperature increased above 1673 K. Instead of entering an active oxidation regime, a graphitic layer formed on the surface and largely protected the underlying SiC from incoming O atoms. Investigation of the oxide decomposition without O-atom bombardment revealed volatile Si and SiO products at the moment that the oxide decomposed, implying that Si sublimation occurs concurrently with oxide decomposition. In the experiment with the continuous (higher flux) O-atom beam, volatile SiO and CO products were observed after the passive oxide decomposed, indicating that active oxidation was reached. Finally, the results of this study provide evidence for the importance of Si sublimation within the active oxidation regime. Above the passive-to-active transition temperature, Si sublimation is an ongoing process, and continuous active oxidation will only occur if sufficient oxygen reacts with the surface to produce SiO more quickly than a graphitic layer can form. Thus, accurate models of SiC ablation by atomic oxygen must account for multiple competing mechanisms that depend on the surface temperature and incident O-atom flux.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Multi‐Species Energy‐Banded Ions in the Ionosphere During the 21 January 2005 Magnetic Storm: Low‐Altitude Edge of the Warm Plasma Cloak

During the 21–22 January 2005 magnetic storm, the FAST satellite observed warm (< few keV) ions in discrete energy bands on the dayside at ∼3,000 km altitude for more than 6.5 hr. We suggest that the ionospheric energy-banded ions represent the low-altitude edge of the warm plasma cloak observed simultaneously by magnetospheric satellites. This is a clear example of the multi-species ion energy bands (10 eV to several keV) observed during strong magnetic storms by the FAST satellite, stretching from the diffuse auroral region to the plasmapause with lifetimes up to 12 hr. The close association of these energy-banded ions with magnetic storms, their broad latitudinal extent, and the presence of multiple ion species in the same energy band, rather than at the same velocity, indicate that this is a distinct phenomenon from other types of energy-banded ions. During the 21–22 January 2005 magnetic storm, the dayside ion energy band structures, centered at 10 eV (H + ), 40 eV (H + and He + ), and 160 eV (H + , He + , and O + ), were consistent with a “time-of-flight and velocity filter” formation process acting on a near-cusp, impulsive outflow of a <200 eV multi-species ion-source population, poleward and in the same hemisphere as FAST. Understanding the sources and dynamics of warm energy-banded ions and their linkage to the warm plasma cloak is important because during superstorms these ions are transported to L values as low as L ∼ 1.2 in the dawn sector, significantly altering the energetics of the mid-latitude ionosphere.

58 GEOSCIENCES↗
DOE OSTI2025

A Comprehensive Framework for Assessing Terrestrial Analogue Field Sites for Ocean Worlds

Field studies at terrestrial analogue sites represent an important contribution to the science of ocean worlds. The value of the science and technology investigations conducted at field analogue sites depends on the relevance of the analogue environment to the target ocean world. We accept that there are no perfect analogues for many of the unique environments represented by ocean worlds but suggest that a one‐to‐one matching of environmental characteristics and conditions is not crucial to the success or impact of the work. Instead, we must determine which processes and parameters are required to map directly to the target ocean world environment with high fidelity to address the science question. In this review paper, we discuss the outcomes of a workshop aimed at developing a new framework for evaluating the suitability of analogue field locations for ocean worlds research. Here we present a two‐step approach to (a) identify the most crucial processes and parameters associated with a given science question and (b) assess the fidelity of these processes and parameters at a proposed field site to those expected for the target ocean world. We demonstrate this approach in a test case evaluating three types of ocean world analogue environments with respect to a science question. The consensus document presented here equips veteran and new investigators with valuable tools to better assess and justify their analogue site selections.

58 GEOSCIENCES↗
DOE OSTI2025

Quantifying the Resolution Sensitivity of the Kain–Fritsch Scheme Across the Gray Zone by Isolating Interactions: A TWP‐ICE Case Study

The resolution sensitivity of the Kain–Fritsch (KF) convection scheme and the role of interactions between the physics and dynamics within the gray zone (<10 km) were investigated using the Separate Physics and Dynamics Experiment (SPADE) framework. Two groups of experiments were conducted using the Weather Research and Forecasting (WRF) model via traditional (Tradition) runs and SPADE runs with resolutions of 1, 2, 4, and 8 km during the wet period of the Tropical Warm Pool–International Cloud Experiment (TWP‐ICE). Results show that the KF scheme simulates the weakened convective processes well as the resolution increases in both groups, and the changes in the convective variables with resolution in SPADE are smaller than in the Tradition group. This indicates the important effects of interactions between model components on convection parameterizations as the resolution changes. Additionally, the microphysics variables remain nearly unchanged with resolution in SPADE and weaken slightly in Tradition as the resolution decreases, suggesting the relatively weaker influences of model interactions for the resolved‐cloud parameterization. Therefore, the scale‐aware behavior of KF scheme is further strengthened in Tradition runs, primarily through inhibiting the strength of stratiform processes through physics–dynamics interactions and physical components.

54 ENVIRONMENTAL SCIENCES↗