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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Optimizing TinyTPC Test Stand for Low Energy Event Reconstruction

Introducing dopants into liquid argon offers a promising avenue to enhance the sensitivity and performance of LAr detectors such as DUNE. To explore this opportunity, we are optimizing and deploying the TinyTPC test stand, a compact time projection chamber with LArPix readout to study the effects of photosensitive dopants on the charge detected. TinyTPC enables comparative measurements of low-energy responses under various operational configurations and provides a platform to study the behavior of pixel readouts at low energy. We ensured system reliability through continuous current and voltage monitoring, modeling the detector's electrical behavior, and indirectly estimating total resistance under testing conditions. We ran the Blanche cryostat under various thresholds and gain configurations to evaluate their potential impact to low-energy event reconstruction and advancing R&D efforts for dopant integration in neutrino detectors

Van Loenen, Drew [Franciscan U. Steubenville]↗
DOE OSTI2022

Between Harmonic Crystal and Glass: Solids with Dimpled Potential-Energy Surfaces Having Multiple Local Energy Minima

Solids with dimpled potential-energy surfaces are ubiquitous in nature and, typically, exhibit structural (elastic or phonon) instabilities. Dimpled potentials are not harmonic; thus, the conventional quasiharmonic approximation at finite temperatures fails to describe anharmonic vibrations in such solids. At sufficiently high temperatures, their crystal structure is stabilized by entropy; in this phase, a diffraction pattern of a periodic crystal is combined with vibrational properties of a phonon glass. As temperature is lowered, the solid undergoes a symmetry-breaking transition and transforms into a lower-symmetry phase with lower lattice entropy. Here, we identify specific features in the potential-energy surface that lead to such polymorphic behavior; we establish reliable estimates for the relative energies and temperatures associated with the anharmonic vibrations and the solid–solid symmetry-breaking phase transitions. We show that computational phonon methods can be applied to address anharmonic vibrations in a polymorphic solid at fixed temperature. To illustrate the ubiquity of this class of materials, we present a range of examples (elemental metals, a shape-memory alloy, and a layered charge-density-wave system); we show that our theoretical predictions compare well with known experimental data.

36 MATERIALS SCIENCE↗
NASA NTRS1986

Thermodynamic evaluation of transonic compressor rotors using the finite volume approach

A method was developed which calculates two-dimensional, transonic, viscous flow in ducts. The finite volume, time marching formulation is used to obtain steady flow solutions of the Reynolds-averaged form of the Navier Stokes equations. The entire calculation is performed in the physical domain. The method is currently limited to the calculation of attached flows. The features of the current method can be summarized as follows. Control volumes are chosen so that smoothing of flow properties, typically required for stability, is now needed. Different time steps are used in the different governing equations to improve the convergence speed of the viscous calculations. A new pressure interpolation scheme is introduced which improves the shock capturing ability of the method. A multi-volume method for pressure changes in the boundary layer allows calculations which use very long and thin control volumes. A special discretization technique is also used to stabilize these calculations. A special formulation of the energy equation is used to provide improved transient behavior of solutions which use the full energy equation. The method is then compared with a wide variety of test cases. The freestream Mach numbers range from 0.075 to 2.8 in the calculations. Transonic viscous flow in a converging diverging nozzle is calculated with the method; the Mach number upstream of the shock is approximately 1.25. The agreement between the calculated and measured shock strength and total pressure losses is good. Essentially incompressible turbulent boundary layer flow in a adverse pressure gradient is calculated and the computed distribution of mean velocity and shear stress are in good agreement with the measurements. At the other end of the Mach number range, a flat plate turbulent boundary layer with a freestream Mach number of 2.8 is calculated using the full energy equation; the computed total temperature distribution and recovery factor agree well with the measurements when a variable Prandtl number is used through the boundary layer.

Nicholson, S.↗
DOE OSTI2021

An electronic origin to the oscillatory segregation behavior in Ni-Cr and other BCC defects in FCC metals

Ni-Cr alloys exhibit oscillatory segregation behaviors near low index surfaces, in which the preferred segregation species changes from Ni in the first layer to Cr in the second layer. In many dilute-alloy systems, this oscillatory pattern is attributed to the elastic release of stresses in the local lattice around the segregating solute or impurity atom. These stresses are mostly thought to originate from mismatches in the atomic size of the solute and host atoms. In Ni-Cr alloys, however, an appreciable mismatch in atomic size is not present, leading to questions about the origins of the oscillatory behavior in this alloy. Therefore, using density functional theory, we have modeled the segregation of a single Cr atom in the and surfaces of FCC Ni, an alloy which exhibits this oscillatory behavior. Using Bader charge analysis, we show that the negative energy correlates directly with the amount of charge on the Cr atom. As Ni atoms strip valence charge from the Cr, the Cr contracts slightly in size. The greatest contraction and highest positive charge for the Cr occurs when it is in the second layer of the surface where the system exhibits the oscillating negative segregation energy. We then find that this behavior persists in other alloy systems (Ag-Nb, Cu-Cr, Pt-Nb, and Pt-V), which exhibit similar atomic radii and electronegativity differences between host and solute to Ni-Cr. These represent alloys in which the host metal exhibits an FCC ground-state structure while the solute metal exhibits a BCC ground-state structure.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Evidence for phonon hardening in laser-excited gold using x-ray diffraction at a hard x-ray free electron laser

Studies of laser-heated materials on femtosecond timescales have shown that the interatomic potential can be perturbed at sufficiently high laser intensities. For gold, it has been postulated to undergo a strong stiffening leading to an increase of the phonon energies, known as phonon hardening. Despite efforts to investigate this behavior, only measurements at low absorbed energy density have been performed, for which the interpretation of the experimental data remains ambiguous. By using in situ single-shot x-ray diffraction at a hard x-ray free-electron laser, the evolution of diffraction line intensities of laser-excited Au to a higher energy density provides evidence for phonon hardening.

36 MATERIALS SCIENCE↗
DOE OSTI2024

R-SEEDS Final Report

DER aggregation and grid digitalization imply a future grid that would benefit from more fluid interaction between the bulk power system and the distribution system. This scenario presents a challenge for grid modeling, which treats the two systems separately. Grid modeling also focuses on the engineering aspects of grids without incorporating modeling of the human and social dimensions of the grid as a cyber-physical-social system. The R-SEEDS project examines the integration of human and social models into grid modeling and its implications on decarbonization, energy justice, and distributional impacts.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Adoption of perennial energy crops in the US Midwest: Causal and heterogeneous determinants

The success of a bioenergy policy relies largely on the wide adoption of perennial energy crops at the farm-scale. This study uses survey data to examine potential adoption decisions by farmers in the US Midwest and the causal effects of various direct and indirect influencing factors, especially heterogeneous preferences of farmers. A Bayesian network (BN) model is developed to delineate the causal-relationship between farmers adoption decisions and the influencing factors. Here, we find a dominating role of economic factors and a non-negligible impact of non-economic factors, such as the perceived environmental benefits and the extent of familiarity with perennial energy crops. To examine the effect of heterogeneity in farmer preferences, we classify the surveyed farmers into four categories based on their attitudes toward the economic, social, and environmental dimensions of perennial energy crops. We identify statistically significant between-group differences in the responses of the four types of farmers to the various influencing factors. Our findings contribute to disentangling the complicated motivations that will influence perennial energy crop adoption decisions and provide implications for more targeted policy development that need to consider the heterogeneous drivers of farmer decisions about land use.

09 BIOMASS FUELS↗
DOE OSTI2025

Azimuthal correlation anisotropies in p + p collisions simulated using Pythia

Stimulated by a keen interest in possible collective behavior in high-energy proton-proton and proton-nucleus collisions, we study two-particle angular correlations in pseudorapidity and azimuthal differences in simulated p + p interactions using the Pythia 8 event generator. Multi-parton interactions and color connection are included in these simulations, which have been perceived to produce collectivity in final-state particles. Meanwhile, contributions from genuine few-body nonflow correlations, not of collective flow behavior, are known to be severe in these small-system collisions. We present our Pythia correlation studies pedagogically and report azimuthal harmonic anisotropies analyzed using several methods. We observe anisotropies in these Pythia simulated events qualitatively and semi-quantitatively, similar to experimental data. Furthermore, our findings highlight the delicate nature of azimuthal anisotropies in small-system collisions and provide a benchmark that can aid in improving data analysis and interpreting experimental measurements in small-system collisions.

Pythia↗
DOE OSTI2021

Towards Realistic Models of Heterogeneous Catalysis: Simulations of Oxidation Catalysis from First Principles

Among the most significant developments in heterogeneous catalysis in the last 20 years is the emergence of microkinetic models, often parameterized from density functional theory (DFT) calculations, used to quantify observed catalyst performance and to guide the discovery of new catalytic materials. While DFT directly reports binding energies and elementary step activation energies, the free energies that enter into microkinetic models must be computed from additional approximations. Frequently these free energy approximations assume ideal behavior—that adsorbates do not interact with one another, or that adsorbates are immobile or vibrate harmonically about a binding site. These assumptions can and do have an impact on predicted catalyst performance and potentially even on predicted trends. Our work relates to three categories of non-idealities, explored in the context of nitrogen oxidation and reduction catalysis on metal surfaces. One component relates to adsorbate translational free energy, the contribution least well described by conventional models, in which we develop modeling approaches that improve accuracy with limited increase in computational expense. A second component relates adsorbate-adsorbate interactions, in which we develop benchmark on-lattice interaction models and compare kinetic predictions with conventional mean-field models, in an effort to develop more robust coverage-dependent mean field modeling approaches. The last relates the most fundamental assumption of all—that of energy equipartition—in an effort to rationalize and guide plasma-enhanced catalysis.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRSDate not supplied

Extraction of Thruster Plume Ion Population Trends From Retarding Potential Analyzer Data

Characterization of ion plume impingement effects on spacecraft surfaces requires knowledge of the ion energy distributions in the thruster plume. Retarding potential analyzers are a convenient diagnostic that provide measurements of the ion voltage distributions. This work presents an attempt to extract additional information via fitting multiple Maxwellian distributions to the diagnostic traces. Tracking the trends of the fitted ion populations across varying facility pressure, angular location, and thruster operating conditions offers further insight into the makeup of the plume plasma and the behavior of the ion energies as a function of those parameters. This approach provides supporting evidence in establishing margins and building further confidence in the plume modeling validation process.

John T. Yim↗
NASA NTRSDate not supplied

Ion Velocity Characterization of the 12.5-kW Advanced Electric Propulsion System Engineering Hall Thruster

During development testing of the 12.5-kW Advanced Electric Propulsion System engineering unit Hall thruster, which is magnetically shielded, a laser-induced fluorescence test was performed. During this test, a third medium-energy ion population was found near the inner front pole cover in addition to two low-energy counter-streaming ion populations that were found in previous testing. This newly found ion population matched in characteristics with the single population found near the outer front pole cover. The measured characteristics of the medium-energy ions matched the behavior expected of them if they were energized by a plasma wave with magnetized electrons, such as a lower hybrid wave. Comparison of the data from this test to prior tests showed that this engineering thruster had very similar ion characteristics as the precursor laboratory thruster. The acceleration zone was found to move upstream with increasing background pressure, decreasing anode flowrate, and increasing magnetic field strength. For the low-energy ions, the energy of the ions arriving at the inner pole did not vary noticeably with background pressure but did increase with increasing magnetic field strength and decreasing anode flow rate. For the medium-energy ions, the energy of the ions increased with decreasing background pressure, decreasing anode flow rate, and increasing magnetic field strength. Testing at different cathode flow fraction showed that the energy of the low-energy ions from the cathode decreased with increasing cathode flow.

Electric propulsion↗
DOE OSTI2026

Automated and Accelerated Continuum Model Development for Electrochemical Systems (Abbreviated Report)

Despite the availability of computational resources and advancements in numerical computing capabilities, the multiscale models core to understanding, predicting the behaviors of, and designing energy and environmental systems involving porous media are still 1.) developed through by-hand derivations and 2.) limited by many methodological assumptions employed during model derivation. As a result, the advancement of effective media models for engineering DOE mission-critical systems (e.g., batteries, flow batteries, electrolyzers, geothermal systems, subsurface chemical storage systems, etc.) is slow (i.e., it takes years for models to traverse from stages of “development” to “practical utilization”), hindering our ability to effectively optimize such systems and stay at the cutting-edge of the energy frontier. In this work, we aimed to address these limitations by 1.) automating and accelerating multiscale model derivation via symbolic computing and 2.) develop a novel multiscale modeling methodology for flow and transport through porous media that avoids the typical assumptions hindering previous models. As a result of our efforts, we 1.) developed a hybrid symbolic-numeric code called Fouriera for fully-automating the implementation of multiphysical and phase-field models via the Fourier spectral method for materials science research, and 2.) advanced a multiscale modeling methodology called The Method of Finite Averages that rigorously predicts the behaviors of flow and transport through heterogeneous porous media under the influence of non-local effects and strong advection. Ultimately, these deliverables provide strong foundations from which further efforts can advance multiscale modeling tools and capabilities that do not intrinsically rely on 1.) the speed and mathematical capabilities of humans, nor 2.) the methodological assumptions limiting current models.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Residential Demand Flexibility: Modeling Occupant Behavior using Sociodemographic Predictors

Demand flexibility (DF) has the potential to increase the saturation of renewables in the grid and reduce operating costs for both utilities and customers. However, less than 8% of U.S. residential electric customers are enrolled in DF programs. A major research gap on this topic is an uneven understanding of behavioral drivers of electricity use and DF program participation at the household level. In this study, we employ machine learning models to predict residential occupant behavior in activities relevant to DF. We model occupants' extensive decisions (i.e., choice of action) and intensive behaviors (i.e., amount of time spent) during peak and off-peak time periods using the publicly available American Time Use Survey, which includes activities data for approximately 200,000 respondents. In our machine learning models, predictions for both extensive and intensive behavior fell within a +/-20% error margin at the aggregate level. We identify 13 key sociodemographic predictors of DF-related intensive behavior using LASSO inference and beta coefficient ranking. However, these top predictors differ by activity, suggesting potential scope for differential user targeting for DF events and technologies during program design. This work also contributes to understanding when and who might adopt these DF technologies based on their daily routine activities.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Progress Towards a Predictive Eagle Behavior and Risk Modeling Framework: Overview and Recent Validation Efforts

This presentation summarizes progress to date of the U.S. Department of Energy project, "Development of a computational framework for modeling golden eagles (Aquila chrysaetos) near wind farms," which focuses on stochastic behavioral modeling of soaring raptors across landscape, facility, and turbine spatiotemporal scales. This publicly available, open-source modeling framework includes behavioral models based on three different underlying principles: energy minimization at landscape scale, behavioral heuristics at landscape-facility scale, and data-driven behaviors at the facility-micro-scale. We will briefly overview the key advancements in the behavioral modeling state of the art, which leverages multiple high-resolution telemetry data sources combined with high-fidelity atmospheric flow modeling insights. We then present preliminary results from a validation study in Altamont, California. This new study involves a novel application of the Stochastic Soaring Raptor Simulator (SSRS), in a new geographic locale, to understand facility scale eagle movement patterns over time scales representative of a wind project's lifetime. For this desktop analysis (that does not depend on any high-performance computing resources), SSRS simultaneously considers a variety of wind conditions and eagle approach vectors toward a project site of interest. This work demonstrates the integration of publicly available landscape-scale atmospheric datasets, our recently improved engineering updraft models (see presentation from Thedin et al.), and our energy minimization behavioral models within the SSRS framework. While we only present results from a single behavioral model, the integration of these three modeling components forms the foundation for our more sophisticated behavioral models (see presentations from Brandes et al., Sandhu et al.) that are under active development. Results are presented in the form of presence maps, which may be applied to estimate risk to wildlife, augment ground survey data, inform wind-plant operations, or incorporated into wind-plant designs.

agent-based modeling↗
DOE OSTI2024

Moduli axions, stabilizing moduli, and the large field swampland conjecture in heterotic M-theory

We compute the F- and D-term potential energy for the dilaton, complex structure, and Kähler moduli of realistic vacua of heterotic M-theory compactified on Calabi-Yau threefolds where, for simplicity, we choose ℎ 1,1 = ℎ 2,1 = 1. However, the formalism is immediately applicable to the “universal” moduli of Calabi-Yau threefolds with ℎ 1,1 = ℎ 1,2 > 1 as well. The F-term potential is computed using the nonperturbative complex structure, gaugino condensate and “world sheet instanton” superpotentials in theories in which the hidden sector contains an anomalous U⁡(1) structure group. The Green-Schwarz anomaly cancellation induces inhomogeneous “axion” transformations for the imaginary components of the dilaton and Kähler modulus—which then produce a D-term potential. V D is a function of the real components of the dilaton and Kähler modulus (s and t) that is minimized and precisely vanishes along a unique line in the s–t plane. Excitations transverse to this line have a mass m anom which is an explicit function of t. The F-term potential energy is then evaluated along the V D = 0 line. For values of t small enough that m anom ≳ M U —where M U is the compactification scale—we plot V F for a realistic choice of coefficients as a function of the Pfaffian parameter p. We find values of p for which V F has a global minimum at negative or zero vacuum density or a metastable minimum with positive vacuum density. In all three cases, the s, t, and associated “axion” moduli are completely stabilized. Finally, we show that, for any of these vacua, the large t behavior of the potential energy satisfies the “large scalar field” Swampland conjecture.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1994

TES (Thermal Energy Storage) Video News Release

TES is an in-space technology experiment that flew on STS-62. Its intent is to investigate the behavior of two different thermal energy storage materials as they undergo repeated melting and freezing in the microgravity environment.

Source record↗