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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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Ginzburg--Landau functionals in the large-graph limit

Ginzburg–Landau (GL) functionals on graphs, which are relaxations of graph-cut functionals on graphs, have yielded a variety of insights in image segmentation and graph clustering. In this paper, we study large-graph limits of GL functionals by taking a functional-analytic view of graphs as nonlocal kernels. For a graph Wn with n nodes, the corresponding graph GL functional GL W n ϵ is an energy for functions on Wn. We minimize GL functionals on sequences of growing graphs that converge to functions called graphons. For such sequences of graphs, we show that the graph GL functional Γ-converges to a continuous and nonlocal functional that we call the graphon GL functional. We investigate the sharp-interface limits of the graph GL and graphon GL functionals, and we relate these limits to a nonlocal total-variation (TV) functional. We express the limiting GL functional in terms of Young measures and thereby obtain a probabilistic interpretation of the minimization problem in the large-graph limit. Finally, to develop intuition about graphon GL functionals, we determine the GL minimizer for several example families of graphons.

Zhang, Edith↗
NASA NTRS1983

A proposed approach to the application of nonlinear irreversible thermodynamics to fracture in composite materials

The fracture criteria upon which most fracture mechanics is based involves an energy balance that is not appropriate for the fracture mechanics of viscoelastic materials such as polymer matrix composites. A more appropriate criterion based upon nonequilibrium thermodynamics and involving a power balance rather than an energy balance is proposed. This crierion is based upon a reformulation of the second law of thermodynamics which focuses attention on the total Legendre transform of energy expressed as a functional over time and space. This excess energy functional can be shown to be equivalent to the Rice J integral if the only irreversible process is the propogation of a single crack completely through the thickness of the specimen and if the crack propogation is assured to be independent of time. For the more general case of more than one crack in a viscoelastic medium integration over both time and space is required. Two experimentally measurable parameters are proposed which should permit the evaluation of this more general fracture criterion.

Lindenmeyer, P. H.↗
NASA NTRS1987

Simple robust control laws for robot manipulators. Part 1: Non-adaptive case

A new class of exponentially stabilizing control laws for joint level control of robot arms is introduced. It has been recently recognized that the nonlinear dynamics associated with robotic manipulators have certain inherent passivity properties. More specifically, the derivation of the robotic dynamic equations from the Hamilton's principle gives rise to natural Lyapunov functions for control design based on total energy considerations. Through a slight modification of the energy Lyapunov function and the use of a convenient lemma to handle third order terms in the Lyapunov function derivatives, closed loop exponential stability for both the set point and tracking control problem is demonstrated. The exponential convergence property also leads to robustness with respect to frictions, bounded modeling errors and instrument noise. In one new design, the nonlinear terms are decoupled from real-time measurements which completely removes the requirement for on-line computation of nonlinear terms in the controller implementation. In general, the new class of control laws offers alternatives to the more conventional computed torque method, providing tradeoffs between robustness, computation and convergence properties. Furthermore, these control laws have the unique feature that they can be adapted in a very simple fashion to achieve asymptotically stable adaptive control.

Wen, J. T.↗
NASA NTRS1990

Magnetic field distribution in polar cap models of gamma-ray bursters

The high-energy spectral cutoffs are discussed as a function of angle predicted by magnetized polar cap models of gamma-ray bursters, in the presence of magnetic pair production and general relativistic effects. The effect of the photon escape beam shape on the relative probability of detection as a function of energy is calculated for a range of model parameters. These predictions are compared to the burster cutoff upper limits observed with SMM and are used to derive constraints on the detectable magnetic field strength distribution among bursters from future observations. A method for determining the intrinsic magnetic field distribution among gamma-ray bursting neutron stars is discussed.

Bagoly, Z.↗
NASA NTRS2000

Simulations of a Thin Sampling Calorimeter with GEANT/FLUKA

The Advanced Cosmic-ray Composition Experiment for the Space Station (ACCESS) will investigate the origin, composition and acceleration mechanism of cosmic rays by measuring the elemental composition of the cosmic rays up to 10(exp 15) eV. These measurements will be made with a thin ionization calorimeter and a transition radiation detector. This paper reports studies of a thin sampling calorimeter concept for the ACCESS thin ionization calorimeter. For the past year, a Monte Carlo simulation study of a Thin Sampling Calorimeter (TSC) design has been conducted to predict the detector performance and to design the system for achieving the ACCESS scientific objectives. Simulation results show that the detector energy resolution function resembles a Gaussian distribution and the energy resolution of TSC is about 40%. In addition, simulations of the detector's response to an assumed broken power law cosmic ray spectra in the region where the 'knee' of the cosmic ray spectrum occurs have been conducted and clearly show that a thin sampling calorimeter can provide sufficiently accurate estimates of the spectral parameters to meet the science requirements of ACCESS. n

Lee, Jeongin↗
DOE OSTI2021

Analytical derivatives of the individual state energies in ensemble density functional theory. II. Implementation on graphical processing units (GPUs)

Conical intersections control excited state reactivity, and thus, elucidating and predicting their geometric and energetic characteristics are crucial for understanding photochemistry. Locating these intersections requires accurate and efficient electronic structure methods. Unfortunately, the most accurate methods (e.g., multireference perturbation theories such as XMS-CASPT2) are computationally challenging for large molecules. The state-interaction state-averaged restricted ensemble referenced Kohn–Sham (SI-SA-REKS) method is a computationally efficient alternative. The application of SI-SA-REKS to photochemistry was previously hampered by a lack of analytical nuclear gradients and nonadiabatic coupling matrix elements. We have recently derived analytical energy derivatives for the SI-SA-REKS method and implemented the method effectively on graphical processing units. We demonstrate that our implementation gives the correct conical intersection topography and energetics for several examples. Furthermore, our implementation of SI-SA-REKS is computationally efficient, with observed sub-quadratic scaling as a function of molecular size. This demonstrates the promise of SI-SA-REKS for excited state dynamics of large molecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

An Energy-Independent Pro-longevity Function of Triacylglycerol in Yeast

Intracellular triacylglycerol (TAG) is a ubiquitous energy storage lipid also involved in lipid homeostasis and signaling. Comparatively, little is known about TAG’s role in other cellular functions. Here we show a pro-longevity function of TAG in the budding yeast Saccharomyces cerevisiae. In yeast strains derived from natural and laboratory environments a correlation between high levels of TAG and longer chronological lifespan was observed. Increased TAG abundance through the deletion of TAG lipases prolonged chronological lifespan of laboratory strains, while diminishing TAG biosynthesis shortened lifespan without apparently affecting vegetative growth. TAG-mediated lifespan extension was independent of several other known stress response factors involved in chronological aging. Because both lifespan regulation and TAG metabolism are conserved, this cellular pro-longevity function of TAG may extend to other organisms.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Global optimization of harmonic oscillator basis in covariant density functional theory

The present investigation focuses on the improvement of the accuracy of the description of binding energies within moderately sized fermionic basis. Using the solutions corresponding to infinite fermionic basis it was shown that in the case of meson exchange (ME) covariant energy density functionals (CEDFs) the global accuracy of the description of binding energies in the finite $N_F$ = 16 - 20 bases can be drastically (by a factor ranging from ~3 up to ~9 dependent on the functional and $N_F$) improved by a global optimization of oscillator frequency of the basis. This is a consequence of the unique feature of the ME functionals in which with increasing fermionic basis size fermionic and mesonic energies approach the exact (infinite basis) solution from above and below, respectively. As a consequence, an optimal oscillator frequency $\hbar\omega_0$ of the basis can be defined which provides an accurate reproduction of exact total binding energies by the ones calculated in truncated basis. This leads to a very high accuracy of the calculations in moderately sized $N_F=20$ basis when mass dependent oscillator frequency is used: global rms differences $\delta B_{rms}$ between the binding energies calculated in infinite and truncated bases are only 0.025 MeV and 0.031 MeV for the NL5(Z) and DD-MEZ functionals, respectively. Optimized values of the oscillator frequency $\hbar\omega_0$ are provided for three major classes of CEDFs, i.e. for density dependent meson exchange functionals, nonlinear meson exchange ones and point coupling functionals.

Binding energy & masses↗
DOE OSTI2021

Information Content of the Parity-Violating Asymmetry in Pb 208

The parity-violating asymmetry A PV in 208 Pb, recently measured by the PREX-2 Collaboration, is studied using modern relativistic (covariant) and nonrelativistic energy density functionals. We first assess the theoretical uncertainty on A PV which is intrinsic to the adopted approach. To this end, we use quantified functionals that are able to accommodate our previous knowledge on nuclear observables such as binding energies, charge radii, and the dipole polarizability α D of 208 Pb. We then add the quantified value of A PV together with α D to our calibration dataset to optimize new functionals. Based on these results, we predict a neutron skin thickness in 208 Pb r skin = 0.19 ± 0.02 fm and the symmetry-energy slope L = 54 ± 8 MeV. These values are consistent with other estimates based on astrophysical data and are significantly lower than those recently reported using a particular set of relativistic energy density functionals. Here, we also make a prediction for the A PV value in 48 Ca that will be soon available from the CREX measurement.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Structure of the Heliotail from Interstellar Boundary Explorer Observations: Implications for the 11-year Solar Cycle and Pickup Ions in the Heliosheath

Interstellar Boundary Explorer ( IBEX ) measurements of energetic neutral atoms (ENAs) from the heliotail show a multi-lobe structure of ENA fluxes as a function of energy between ∼0.71 and 4.29 keV. Below ∼2 keV, there is a single structure of enhanced ENA fluxes centered near the downwind direction. Above ∼2 keV, this structure separates into two lobes, one north and one south of the solar equatorial plane. ENA flux from these two lobes can be interpreted as originating from the fast solar wind (SW) propagating through the inner heliosheath (IHS). Alternatively, a recently published model of the heliosphere suggests that the heliotail may split into a “croissant-like” shape, and that such a geometry could be responsible for the heliotail ENA feature. Here we present results from a time-dependent simulation of the heliosphere that produces a comet-like heliotail, and show that the 11-year solar cycle leads to the formation of ENA lobes with properties remarkably similar to those observed by IBEX . The ENA energy at which the north and south lobes appear suggests that the pickup ion (PUI) temperature in the slow SW of the IHS is ∼10{sup 7} K. Moreover, we demonstrate that the extinction of PUIs by charge-exchange is an essential process required to create the observed global ENA structure. While the shape and locations of the ENA lobes as a function of energy are well reproduced by PUIs that cross the termination shock, the results appear to be sensitive to the form of the distribution of PUIs injected in the IHS.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Probe diagnostics of electron distributions in plasma with spatial and angular resolution

This paper discusses the spatial resolution that is required to study inhomogeneous, low-temperature plasmas and is based on a review of low-temperature plasma electron kinetics and methods for probe measurements of electron energy distribution functions (EEDFs). It is stated that EEDFs can be extracted from probe measurements by applying an appropriate probe theory. The Druyvesteyn formula is most commonly used for this extraction and has been used in numerous publications, but more general theory can be used for a wider range of gas pressures. It is demonstrated that the Druyvesteyn formula can be obtained from the general theory as a limiting case. This paper justifies the application of wall probes in plasma studies of an energetic part of EEDFs. This justification is made for an idealized probe. We briefly review the methods for studying anisotropic plasmas and their usefulness in plasma research. It is demonstrated that to determine anisotropic electron energy distribution functions, a planar, one-sided probe is most convenient.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Combined Experimental and Computational Efforts to Establish Ion Mobility, Solubility and Stability of Functional Liquids for Electrochemical Energy Storage

This work provides a computation-driven investigation of the stability of organic electrolytes for lithium-air batteries. Electrolyte instability is currently a key challenge that limits practical use of aprotic Li-air batteries, and the chemical processes that cause this instability are often kinetically-driven. Computational screening for kinetic stability involves the determination of reaction barriers for the numerous potential reaction mechanisms, barriers that are challenging to calculate due to the difficulty of locating transition state structures. Here we screen a broad set of substituted electrolytes for susceptibility to nucleophilic attack by superoxide. We find that carbonates are not typically expected to be stable and that sulfones are generally stable, validating literature trends. We study the effects of chemical functionalization with electron-donating and withdrawing groups and their interplay with steric factors, identifying functional groups and other chemical modifications that increase stability in these groups. User-input driven transition state identification is used for these initial calculations, and an automated computational pipeline is subsequently presented and validated as a means to perform further high-throughput searches across mechanisms and chemistries. The pipeline integrates cheminformatics-based reaction encoding, relaxed potential energy scans, and nudged elastic band calculations for an end-to-end approach to barrier calculations. We review this automated search approach and its current limitations, and discuss challenges and further work.

25 ENERGY STORAGE↗
DOE OSTI2016

Singular behavior of jet substructure observables

Jet substructure observables play a central role at the Large Hadron Collider for identifying the boosted hadronic decay products of electroweak scale resonances. The complete description of these observables requires understanding both the limit in which hard substructure is resolved, as well as the limit of a jet with a single hard core. In this paper we study in detail the perturbative structure of two prominent jet substructure observables, N-subjettiness and the energy correlation functions, as measured on background QCD jets. In particular, we focus on the distinction between the limits in which two-prong structure is resolved or unresolved. Depending on the choice of subjet axes, we demonstrate that at fixed order, N-subjettiness can manifest myriad behaviors in the unresolved region: smooth tails, end-point singularities, or singularities in the physical region. The energy correlation functions, by contrast, only have non-singular perturbative tails extending to the end point. We discuss the effect of hadronization on the various observables with Monte Carlo simulation and demonstrate that the modeling of these effects with non-perturbative shape functions is highly dependent on the N-subjettiness axes definitions. Lastly, our study illustrates those regions of phase space that must be controlled for high-precision jet substructure calculations, and emphasizes how such calculations can be facilitated by designing substructure observables with simple singular structures.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

PPPC 4 DM secondary: a Poor Particle Physicist Cookbook for secondary radiation from Dark Matter

We enlarge the set of recipes and ingredients at disposal of any poor particle physicist eager to cook up signatures from weak-scale Dark Matter models by computing two secondary emissions due to DM particles annihilating or decaying in the galactic halo, namely the radio signals from synchrotron emission and the gamma rays from bremsstrahlung. We consider several magnetic field configurations and propagation scenarios for electrons and positrons. We also provide an improved energy loss function for electrons and positrons in the Galaxy, including synchrotron losses in the different configurations, bremsstrahlung losses, ionization losses and Inverse Compton losses with an updated InterStellar Radiation Field.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

No Galaxy Left Behind: Measuring the Transfer Function of the Dark Energy Survey with Balrog

In this dissertation, we describe a calibration and diagnostic framework called Balrog which was used to directly sample the selection and photometric biases of the Dark Energy Survey (DES) Year 3 (Y3) dataset. We systematically inject onto the single-epoch images of a random 20% subset of the DES footprint an ensemble of nearly 30 million realistic galaxy models derived from DES Deep Field observations. These augmented images are analyzed in parallel with the original data to automatically inherit measurement systematics that are often too difficult to capture with traditional generative models. The resulting object catalog is a Monte Carlo sampling of the DES transfer function and is used as a powerful diagnostic and calibration tool for a variety of DES Y3 science, particularly for the calibration of the photometric redshifts of distant "source" galaxies and magnification biases of nearer "lens" galaxies. The recovered Balrog injections are shown to closely match the photometric property distributions of the fiducial Y3 GOLD catalog, particularly in color, and capture the number density fluctuations from observing conditions of the real data within 1% for a typical galaxy sample. We find that Y3 colors are extremely well calibrated, typically within ~1-8 millimagnitudes, but for a small subset of objects we detect significant magnitude biases correlated with large overestimates of the injected object size due to proximity effects and blending. Finally, we discuss approaches to extend the current methodology to capture more aspects of the transfer function for future analyses.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

Application of nuclear density functionals to lepton number violating weak processes

We present an application of energy density functional methods with the Gogny interaction to the calculation of nuclear matrix elements (NME) for neutrinoless double beta decay and double electron capture. Beyond mean field effects have been included by particle number and angular momentum restoration and shape mixing within the generator coordinate method (GCM) framework. We analyze in detail the NME for {sup 116}Cd nucleus which is one of the most promising candidates to detect neutrinoless double beta decay.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Reduced electron temperature in a magnetized inductively-coupled plasma with internal coil

The effect of magnetic filtering on the electron energy distribution function is studied in an inductive discharge with internal coil coupling. The coil is placed inside the plasma and driven by a low-frequency power supply (5.8 MHz) which leads to a very high power transfer efficiency. A permanent dipole magnet may be placed inside the internal coil to produce a static magnetic field around 100 Gauss. The coil and the matching system are designed to minimize the capacitive coupling to the plasma. Capacitive coupling is quantified by measuring the radiofrequency (rf) plasma potential with a capacitive probe. Without the permanent magnet, the rf plasma potential is significantly smaller than the electron temperature. When the magnet is present, the rf plasma potential increases. The electron energy distribution function is measured as a function of space with and without the permanent magnet. When the magnet is present, electrons are cooled down to low temperature in the downstream region. This region of low electron temperature may be useful for plasma processing applications, as well as for efficient negative ion production.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Energy Conservation and Hydrogenase Function in Methanogenic Archaea, in Particular the Genus Methanosarcina

The biological production of methane is vital to the global carbon cycle and accounts for ca. 74% of total methane emissions. The organisms that facilitate this process, methanogenic archaea, belong to a large and phylogenetically diverse group that thrives in a wide range of anaerobic environments. Two main subgroups exist within methanogenic archaea: those with and those without cytochromes. Although a variety of metabolisms exist within this group, the reduction of growth substrates to methane using electrons from molecular hydrogen is, in a phylogenetic sense, the most widespread methanogenic pathway. Methanogens without cytochromes typically generate methane by the reduction of CO 2 with electrons derived from H 2 , formate, or secondary alcohols, generating a transmembrane ion gradient for ATP production via an Na +- translocating methyltransferase (Mtr). These organisms also conserve energy with a novel flavin-based electron bifurcation mechanism, wherein the endergonic reduction of ferredoxin is facilitated by the exergonic reduction of a disulfide terminal electron acceptor coupled to either H 2 or formate oxidation. Methanogens that utilize cytochromes have a broader substrate range, and can convert acetate and methylated compounds to methane, in addition to the ability to reduce CO 2 . Cytochrome-containing methanogens are able to supplement the ion motive force generated by Mtr with an H + -translocating electron transport system. In both groups, enzymes known as hydrogenases, which reversibly interconvert protons and electrons to molecular hydrogen, play a central role in the methanogenic process. In this review, we discuss recent insight into methanogen metabolism and energy conservation mechanisms with a particular focus on the genus Methanosarcina.

59 BASIC BIOLOGICAL SCIENCES↗