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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Studying electroweak few-body observables in chiral effective field theory

The use of nuclei to study electroweak probes is becoming increasingly relevant experimentally. The success of dark matter and neutrino experiments strongly depends on the ability to control nuclear effects in order to extract the fundamental parameters associated with external probes. Therefore, reliable theoretical calculations of nuclear structure and reactions, with well-controlled errors, are crucial for the success of experimental efforts. Currently, chiral effective field theory ($\chi$EFT) coupled with {\it ab-initio} methods represents one of the best approaches that fulfills these requirements. To use this approach as a tool for studying fundamental physics, it is essential to validate it against experimental data for which the calculations are well under control, such as the elastic scattering of electrons on nuclei. In this proceeding, I will present recent developments in the fitting of electromagnetic currents derived using $\chi$EFT and the calculation of electromagnetic form factors of light nuclei. The results of these calculations demonstrate the strength of the theory in describing the interaction of nuclei with electromagnetic probes over a broad range of momentum transfers and highlight the robustness of $\chi$EFT for analyzing future experimental data aimed at extracting fundamental parameters.

Gnech, Alex [Old Dominion Univ., Norfolk, VA (Unit↗
DOE OSTI2025

ASCR Workshop Position Paper: Challenges and Opportunities in High Energy Physics

High energy particle physics and cosmology concern themselves with estimating fundamental parameters of nature, such as the masses and interactions of fundamental particles like the Higgs boson and the rate of expansion of the universe. In doing so, they analyze exabyte-scale datasets, some of the largest in all of science, and face many challenges in subsequent data analysis. These challenges are shared between the two disciplines, but we focus on particle physics to highlight one specific domain. In particle physics, the standard method for estimating parameters involves performing Monte Carlo (MC) integration as a function of both parameters of interest and nuisance parameters using an expensive simulator, counting the number of observed collision events (i.i.d. samples) from an experiment in the corresponding integration domains, and forming a Poisson likelihood function. This likelihood function is then used in a Frequentist manner to construct a maximum likelihood point estimate (MLE) and confidence set for the parameters. To sufficiently populate the high-dimensional integration domains, simulators consume billions of CPU-hours annually and produce hundreds of petabytes of intermediate output data. Several techniques have been developed to: optimize definitions of the integration domains so as to be maximally sensitive to a particular subset of parameters, efficiently estimate the integrals, and build robust surrogate models by interpolating between integral evaluations at different parameter points. One can view this whole endeavor as classical Simulation-Based Inference (SBI).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Perspectives for Measuring Neutrino Cross-Sections at Short Baseline Detectors (ICARUS and DUNE-PRISM-like Detector) and Their Implications for Precision Physics

Neutrino physics is rapidly advancing with current and future experiments promising high-statistics data, enabling unprecedented accuracy in measuring Standard Model (SM) parameters and providing crucial insights into neutrino-nucleus interactions. The ICARUS experiment, utilizing LAr TPC technology, is pivotal in this growth. As the far detector of the SBN program at Fermilab, ICARUS is set to investigate the neutrino anomalies observed in LSND and MiniBooNE and prepare for future long-baseline experiments like DUNE. Positioned along the BNB and 5.75°off-axis from the NuMI beamline, ICARUS benefits from numerous neutrino interactions, allowing for precise neutrino-argon nucleus cross-section measurements, which will benchmark future DUNE measurements. This work presents the prospects and progress in measuring the cross-section of the NuMI νµ CC inclusive channel in the ICARUS experiment. High-statistics data will also enable precise determinations of fundamental parameters like the weak mixing angle and the neutrino charge radius (NCR), crucial for testing the SM and exploring potential new physics. This work includes studies of future near detectors, such as DUNE-PRISM, which are sensitive to radiative corrections in neutrino-electron scattering. The DUNE-PRISM configuration allows for the analysis of different neutrino energy spectra, promising accurate NCR measurements with controlled systematic uncertainties.

Moreno-Granados, Guadalupe↗
DOE OSTI2025

Investigating the relationship between simulation parameters and flow variables in simulating atmospheric gravity waves for wind energy applications

Wind farms, particularly offshore clusters, are becoming larger than ever before. Besides influencing the surface wind flow and the inflow for downstream wind farms, large wind farms can trigger atmospheric gravity waves in the inversion layer and the free atmosphere aloft. Wind-farm-induced gravity waves can cause adverse pressure gradients upstream of the wind farm, which contribute to the global blockage effect, and can induce favorable pressure gradients above and downstream of the wind farm that enhance wake recovery. Numerical modeling is a powerful means of studying these wind-farm-induced atmospheric gravity waves, but it comes with the challenge of handling spurious reflections of these waves from domain boundaries. Typically, approaches which employ radiation boundary conditions and forcing zones are used to avoid these reflections. However, the simulation setup of these approaches relies heavily on ad hoc processes. For instance, the widely used Rayleigh damping method requires ad hoc tuning to produce a setup that may only produce satisfactory results for a particular case. To provide more systematic guidance on setting up realistic simulations of atmospheric gravity waves, we conduct a large-eddy simulation (LES) study of flow over a 2D hill and through a wind farm canopy that explores the optimum domain size and damping layer setup depending on the fundamental parameters which determine the flow characteristics. In this work, we only consider linearly stratified conditions (i.e., no inversion layer), thereby focusing on internal gravity waves in the free atmosphere and their reflections from the domain boundaries. This type of flow is governed by a single Froude number, which dictates most of the internal wave properties, such as wavelength, amplitude, and direction. This, in turn, will dictate the optimum domain size and Rayleigh damping layer setup. We find the effective horizontal and vertical wavelengths (the representative wavelengths of the entire wave spectrum) to be the appropriate length scales to size the domain and damping layer thickness, and the optimal Rayleigh damping coefficient scales with the Brunt–Väisälä frequency. Considering Froude numbers seen in wind farm applications, we propose recommendations to limit the reflections to less than 10 % of the total upward-propagating wave energy. Typically, damping is done at the top boundary, but given the non-periodic lateral boundary conditions of practical wind farm simulation domains, we find that damping the inflow–outflow boundaries is of equal importance to damping the top boundary. The Brunt–Väisälä frequency-normalized damping coefficient should be between 1 and 10. The damping layer thickness should be at least one effective vertical wavelength; damping layers exceeding 1.5 times the vertical wavelength are found to be unnecessary. The domain length and height should accommodate at least one effective horizontal and vertical wavelength, respectively. Moreover, Rayleigh damping does not damp the waves completely, and the non-damped energy might accumulate over the simulation time.

17 WIND ENERGY↗
DOE OSTI2024

Combination of Counterion Size and Doping Concentration Determines the Electronic and Thermoelectric Properties of Semiconducting Polymers

In both chemical and electrochemical doping of organic semiconductors (OSCs), a counterion, either from the electrolyte or ionized dopant, balances the charge introduced to the OSC. Despite the large influence of this counterion on OSC optical and electronic response, there remains substantial debate on how a fundamental parameter, ion size, impacts these properties. Here, this work resolves much of this debate by accounting for two doping regimes. In the low-doping regime, the Coulomb binding energies between charge carriers on the OSC and the counterions are significant, and larger counterions lead to decreased Coulomb interactions, more delocalized charge carriers, and higher electrical conductivities. In the high-doping regime, the Coulomb binding energies become negligible due to the increased dielectric constant of the films and a smoothing of the energy landscape; thereby, the electrical conductivities depend primarily on the extent of morphological disorder in the OSC. Moreover, in regioregular poly(3-hexylthiophene), rr-P3HT, smaller counterions lead to greater bipolaron concentrations in the low-doping regime due to the increased Coulomb interactions. Emphasizing the impact of the counterion size, it is shown that larger counterions can lead to increased thermoelectric power factors for rr-P3HT.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Theoretical modeling of a bottom-raised oscillating surge wave energy converter structural loadings and power performances

Here, this study presents theoretical formulations to evaluate the fundamental parameters and performance characteristics of a bottom-raised oscillating surge wave energy converter (OSWEC) device. Employing a flat plate assumption and potential flow formulation in elliptical coordinates, closed-form equations for the added mass, radiation damping, and excitation forces/torques in the relevant pitch-pitch and surge-pitch directions of motion are developed and used to calculate the system's response amplitude operator and the forces and moments acting on the foundation. The model is benchmarked against numerical simulations using WAMIT and WEC-Sim, showcasing excellent agreement. The sensitivity of plate thickness on the analytical hydrodynamic solutions is investigated over several thickness-to-width ratios ranging from 1:80 to 1:10. The results show that as the thickness of the benchmark OSWEC increases, the deviation of the analytical hydrodynamic coefficients from the numerical solutions grows from 3% to 25%. Differences in the excitation forces and torques, however, are contained within 12%. While the flat plate assumption is a limitation of the proposed analytical model, the error is within a reasonable margin for use in the design space exploration phase before a higher-fidelity (and thus more computationally expensive) model is employed. A parametric study demonstrates the ability of the analytical model to quickly sweep over a domain of OSWEC dimensions, illustrating the analytical model's utility in the early phases of design.

13 HYDRO ENERGY↗
DOE OSTI2025

Lithography-Defined Semiconductor Moirés with Anomalous In-Gap Quantum Hall States

Quantum materials and phenomena have attracted great interest for their potential applications in next-generation microelectronics and quantum-information technologies. In one especially interesting class of quantum materials, moiré superlattices (MSLs) formed by twisted bilayers of 2D materials, a wide range of novel phenomena are observed. However, there exist daunting challenges such as reproducibility and scalability of utilizing 2D MSLs for microelectronics and quantum technologies due to their exfoliate-tear-stack method. Here, we propose lithography-defined semiconductor MSLs, in which three fundamental parameters electron−electron interaction, spin−orbit coupling, and band topology are designable. We experimentally investigate quantum-transport properties in a moiré specimen made in an InAs quantum well. Strong anomalous in-gap states are observed within the same integer quantum Hall state. Our work opens up new horizons for studying 2D quantum-materials phenomena in semiconductors featuring superior industry-level quality and state-of-the-art technologies, and they may potentially enable new quantum-information and microelectronics technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Nanocrystal Geometry Governs Phase Transformation Pathways in Palladium Hydride

Pathways and structural dynamics of phase transformations impact performance of materials in energy and information storage technologies. Palladium hydride (PdH x ) nanocrystals are an ideal model system for studying solute-induced phase transformations, where elastic energy from lattice mismatch between α-PdH x and β-PdH x phases is often considered a key to determining the transformation pathways. α/β-PdH x interfacial elastic energy is affected by the confined geometry of a nanocrystal. However, how nanocrystal geometry influences phase transformation pathways is largely unknown. Using in situ liquid phase transmission electron microscopy, we directly visualize hydrogenation in Pd nanocrystals with two geometries, a nanocube and a hexagonal nanoplate. Both follow similar sequences of an initially curved nucleus, interface flattening, and reverse-stage nucleation; however, their evolving α/β-PdH x interfaces exhibit geometry-dependent crystallographic alignments. In nanocubes, {100}-aligned configurations conform to static elastic energy ordering, representing a pathway that maintains a local mechanical equilibrium, whereas nanoplates display both {110}- and {211}-aligned interfaces. Theoretical simulations show that geometry determines the accessibility of alternative phase transformation pathways as the system is driven far from equilibrium during hydrogenation. In conclusion, these findings identify geometry as a fundamental parameter for directing phase transformation pathways, offering design principles for accessing atypical configurations and improving properties of intercalation-based devices.

Lee, Daewon [Lawrence Berkeley National Laboratory↗
DOE OSTI2025

Imaging solvated oxygen atoms with a femtosecond laser

As a powerful oxidant, atomic oxygen (O) holds considerable promise for a variety of biomedical and industrial applications. However, the inability to quantify solvated oxygen atoms has prevented the determination of the fundamental parameters governing its behaviour in relevant aqueous environments. Here, we directly image ground-state oxygen atoms in water using femtosecond two-photon absorption laser-induced fluorescence. Measurements show that oxygen atoms persist for tens of microseconds in water, penetrating hundreds of micrometres into the liquid. This observed longevity has significant implications, suggesting a need to re-evaluate existing models of solvated atomic oxygen reactivity and transport. Beyond atomic oxygen, this technique is broadly applicable to other solvated atomic species of interest, including nitrogen (N) and hydrogen (H). This work establishes that radical atomic species can be quantified in liquid with ultrafast laser spectroscopy, providing the basis for the determination of key properties including reaction rates, chemical lifetimes, and Henry’s law constants.

Fluorescence spectroscopy↗
DOE OSTI2025

Biobased chemical recycling: aminolysis of PET using renewable reagents and monomers to synthesize new semi-aromatic polyamides

Chemical recycling of PET is a method of depolymerizing polymer chains to monomeric components enabling the synthesis of second-generation materials with virgin-like quality. Commercial chemical recycling techniques rely upon high pressure methanolysis to create precursors capable of synthesizing a second-generation PET resin. However, despite the circular approach of methanolysis, a product with a very short lifespan and similar value is created. The approach of the current study is to utilize aminolysis as an ambient pressure technique to create precursors for higher value materials with longer lifespans to address the current crisis in plastic waste. Semi-aromatic polyamides (SAP) are desired in this circumstance because of their high melting point and heat resistance combined with good melt-processability similar to aliphatic polyamides. In this study SAPs were synthesized using precursors recovered from the aminolysis of PET employing biobased diamines and dicarboxylic acids. While aminolysis has been explored in previous studies, this work investigated the use of biobased components from castor oil: decamethylene diamine during recycling and sebacic acid during polymerization. Polymer synthesis resulted in the formation of SAPs similar to polyphthalamides (PPA) with novel structures given the aromatic portion from terephthalic acid (TPA) and aliphatic portion from the diamines and diacids. The synthesized materials exhibited excellent thermal stability with high glass transition temperatures. Novel polymers were created with varying aliphatic chain length to understand fundamental parameters needed to produce a valuable polymer from post-consumer waste.

High performance Applications↗
DOE OSTI2024

The impact of environment on size: Galaxies are 50% smaller in the Fornax Cluster compared to the field

Size is a fundamental parameter for measuring the growth of galaxies and the role of the environment on their evolution. However, the conventional size definitions used for this purpose are often biased and miss the diffuse, outermost signatures of galaxy growth, including star formation and gas accretion. We address this issue by examining low surface brightness truncations or galaxy ‘edges’ as a physically motivated tracer of size based on star formation thresholds. Our total sample consists of ∼900 galaxies with stellar masses ranging from 10 5 M ⊙ < M ⋆ < 10 11 M ⊙ . This sample of nearby cluster, group satellite, and nearly isolated field galaxies was compiled using multi-band imaging from the Fornax Deep Survey, deep IAC Stripe 82, and Dark Energy Camera Legacy Surveys. We find that the edge radii scale as R edge ∝ M ⋆ 0.42 , with a very small intrinsic scatter (∼0.07 dex). The scatter is driven by the morphology and environment of galaxies. In both the cluster and field, early-type dwarfs are systematically smaller by approximately 20% compared to late-type dwarfs. However, galaxies in the Fornax cluster are the most impacted. At a fixed stellar mass, edges in the cluster can be found at about 50% smaller radii, and the average stellar surface density at the edges is a factor of two higher, ∼1 M ⊙ /pc 2 . Our findings support the rapid removal of loosely bound neutral hydrogen (H I ) in hot, crowded environments, which truncates galaxies outside-in earlier, preventing the formation of more extended sizes and lower density edges. Our results highlight the importance of deep imaging surveys to the study of low surface brightness imprints of the large-scale structure and environment on galaxy evolution.

Astronomy & Astrophysics↗
DOE OSTI2025

THz cyclotron resonance of a 2D hole gas in a GaN/AlN heterostructure

The recent discovery of highly conducting two-dimensional hole gases (2DHGs) in GaN/AlN heterojunctions has opened the door to efficient complementary GaN electronics, a long-standing challenge in wide-bandgap semiconductor device physics. Electrical transport studies and simulations indicate that both heavy- and light-hole valence bands are occupied in these 2DHGs, but direct experimental characterization of the fundamental parameters of the mobile holes remains at an early stage. Here, we use time-domain terahertz spectroscopy and pulsed magnetic fields up to 31 T to directly measure cyclotron resonance of the mobile 2D holes in these GaN-based 2DHGs at low temperature (8 K), revealing key material properties including effective masses, densities, scattering times, and mobilities.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Transport coefficient approach for characterizing nonequilibrium dynamics in soft matter

Nonequilibrium states in soft condensed matter require a systematic approach to characterize and model materials, enhancing predictability and applications. Among the tools, X-ray photon correlation spectroscopy (XPCS) provides exceptional temporal and spatial resolution to extract dynamic insight into the properties of the material. However, existing models might overlook intricate details. We introduce an approach for extracting the transport coefficient, denoted as $J(t)$, from the XPCS studies. This coefficient is a fundamental parameter in nonequilibrium statistical mechanics and is crucial for characterizing transport processes within a system. Our method unifies the Green–Kubo formulas associated with various transport coefficients, including gradient flows, particle–particle interactions, friction matrices, and continuous noise. We achieve this by integrating the collective influence of random and systematic forces acting on the particles within the framework of a Markov chain. We initially validated this method using molecular dynamics simulations of a system subjected to changes in temperatures over time. Subsequently, we conducted further verification using experimental systems reported in the literature and known for their complex nonequilibrium characteristics. The results, including the derived $J(t)$ and other relevant physical parameters, align with the previous observations and reveal detailed dynamical information in nonequilibrium states. This approach represents an advancement in XPCS analysis, addressing the growing demand to extract intricate nonequilibrium dynamics. Further, the methods presented are agnostic to the nature of the material system and can be potentially expanded to hard condensed matter systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Systematics in asteroseismic modelling: application of a correlated noise model for oscillation frequencies

ABSTRACT The detailed modelling of stellar oscillations is a powerful approach to characterizing stars. However, poor treatment of systematics in theoretical models leads to misinterpretations of stars. Here, we propose a more principled statistical treatment for the systematics to be applied to fitting individual mode frequencies with a typical stellar model grid. We introduce a correlated noise model based on a Gaussian process (GP) kernel to describe the systematics given that mode frequency systematics are expected to be highly correlated. We show that tuning the GP kernel can reproduce general features of frequency variations for changing model input physics and fundamental parameters. Fits with the correlated noise model better recover stellar parameters than traditional methods that either ignore the systematics or treat them as uncorrelated noise.

Li, Tanda (ORCID:0000000163962563)↗
DOE OSTI2024

TOI–757 b: an eccentric transiting mini–Neptune on a 17.5–d orbit

ABSTRACT We report the spectroscopic confirmation and fundamental properties of TOI$-$757 b, a mini$-$Neptune on a 17.5$-$d orbit transiting a bright star ($V\, =\, 9.7$ mag) discovered by the TESS mission. We acquired high$-$precision radial velocity measurements with the HARPS, ESPRESSO, and PFS spectrographs to confirm the planet detection and determine its mass. We also acquired space$-$borne transit photometry with the CHEOPS space telescope to place stronger constraints on the planet radius, supported with ground$-$based LCOGT photometry. WASP and KELT photometry were used to help constrain the stellar rotation period. We also determined the fundamental parameters of the host star. We find that TOI$-$757 b has a radius of $R_{\mathrm{p}} = 2.5 \pm 0.1 R_{\oplus }$ and a mass of $M_{\mathrm{p}} = 10.5^{+2.2}_{-2.1} M_{\oplus }$, implying a bulk density of $\rho _{\text{p}} = 3.6 \pm 0.8$ g cm$^{-3}$. Our internal composition modelling was unable to constrain the composition of TOI$-$757 b, highlighting the importance of atmospheric observations for the system. We also find the planet to be highly eccentric with e = 0.39$^{+0.08}_{-0.07}$, making it one of the very few highly eccentric planets among precisely characterized mini$-$Neptunes. Based on comparisons to other similar eccentric systems, we find a likely scenario for TOI$-$757 b’s formation to be high eccentricity migration due to a distant outer companion. We additionally propose the possibility of a more intrinsic explanation for the high eccentricity due to star$-$star interactions during the earlier epoch of the Galactic disc formation, given the low metallicity and older age of TOI$-$757.

Alqasim, A. (ORCID:0000000151025505)↗
DOE OSTI2024

Superscaling variable and neutrino energy reconstruction from theoretical predictions to experimental limitations

We introduce the novel approach of using the superscaling variable as an observable and an analysis tool in the context of charged current neutrino-nucleus interactions. We study the relation between the superscaling variable and the removal energy, in addition to other fundamental parameters of the neutrino-nucleus interaction models. In the second half of the paper, we discuss the experimental viability of this measurement following a study of neutrino energy and missing momentum reconstruction. We show that the superscaling variable is measurable in neutrino interaction experiments provided that the proton is detected in the final state. We discuss the resolution of this measurement, and the limitation imposed by the proton’s detection threshold. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Combined Measurement of the Higgs Boson Mass from the $H→γγ$ and $H→ZZ$*→ 4⁢ℓ Decay Channels with the ATLAS Detector Using $\sqrt{s}$ = 7, 8, and 13 TeV $pp$ Collision Data

A measurement of the mass of the Higgs boson combining the H → ZZ* → 4ℓ and H → γγ decay channels is presented. The result is based on 140 fb –1 of proton-proton collision data collected by the ATLAS detector during LHC run 2 at a centre-of-mass energy of 13 TeV combined with the run 1 ATLAS mass measurement, yielding a Higgs boson mass of 125.11 ± 0.09 (stat.) ± 0.06 (syst.) = 125.11 ± 0.11 GeV. This corresponds to a 0.09 % precision achieved on this fundamental parameter of the Standard Model of particle physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Factors That Influence Variability in Stress-Drop Measurements Using Spectral Decomposition and Spectral-Ratio Methods for the 2019 Ridgecrest Earthquake Sequence

Stress drop is a fundamental parameter related to earthquake source physics, but is hard to measure accurately. To better understand how different factors influence stress-drop measurements, we compare two different methods using the Ridgecrest stress-drop validation data set: spectral decomposition (SD) and spectral ratio (SR), each with different processing options. Here, we also examine the influence of spectral complexity on source parameter measurement. Applying the SD method, we find that frequency bandwidth and time-window length could influence spectral magnitude calibration, while depth-dependent attenuation is important to correctly map stress-drop variations. For the SR method, we find that the selected source model has limited influence on the measurements; however, the Boatwright model tends to produce smaller standard deviation and larger magnitude dependence than the Brune model. Variance reduction threshold, frequency bandwidth, and time-window length, if chosen within an appropriate parameter range, have limited influence on source parameter measurement. For both methods, wave type, attenuation correction, and spectral complexity strongly influence the result. The scale factor that quantifies the magnitude dependence of stress drop show large variations with different processing options, and earthquakes with complex source spectra deviating from the Brune-type source models tend to have larger scale factor than earthquakes without complexity. Based on these detailed comparisons, we make a few specific suggestions for data processing workflows that could help future studies of source parameters and interpretations.

58 GEOSCIENCES↗