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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

Effect of load, area of contact, and contact stress on the tribological properties of polyimide bonded graphite fluoride films

A pin-on-disk type of friction and wear apparatus was used to study the effect of load, contact stress and rider area of contact on the friction and wear properties of polyimide-bonded graphite fluoride films. Different rider area contacts were obtained by initially generating flats (with areas of 0.0035, 0.0071, 0.0145, and 0.0240 cm) on 0.476-cm radius hemispherically-tipped riders. Different projected contact stresses were obtained by applying loads of 2.5-to 58.8-N to the flats. Two film wear mechanisms were observed. The first was found to be a linear function of contact stress and was independent of rider area of contact. The second was found to increase exponentially as the stress increased. The second also appeared to be a function of rider contact area. Wear equations for each mechanism were empirically derived from the experimental data. In general, friction coefficients increased with increasing rider contact area and with sliding duration. This was related to the build-up of thick rider transfer films.

Fusaro, R. L.↗
DOE OSTI2014

Landau-Zener transitions mediated by an environment: Population transfer and energy dissipation

We study Landau-Zener transitions between two states with the addition of a shared discretized continuum. The continuum allows for population decay from the initial state as well as indirect transitions between the two states. The probability of nonadiabatic transition in this multichannel model preserves the standard Landau-Zener functional form except for a shift in the usual exponential factor, reflecting population transfer into the continuum. We provide an intuitive explanation for this behavior assuming individual, independent transitions between pairs of states. In contrast, the ground state survival probability at long time shows a novel, non-monotonic, functional form with an oscillatory behavior in the sweep rate at low sweep rate values. We contrast the behavior of this open-multistate model to other generalized Landau-Zener models incorporating an environment: the stochastic Landau-Zener model and the dissipative case, where energy dissipation and thermal excitations affect the adiabatic region. Finally, we present evidence that the continuum of states may act to shield the two-state Landau-Zener transition probability from the effect of noise.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Algorithms for calculating mass-velocity and Darwin relativistic corrections with n-electron explicitly correlated Gaussians with shifted centers

Algorithms for calculating the leading mass-velocity (MV) and Darwin (D) relativistic corrections are derived for electronic wave functions expanded in terms of n-electron explicitly correlated Gaussian functions with shifted centers and without pre-exponential angular factors. The algorithms are implemented and tested in calculations of MV and D corrections for several points on the ground-state potential energy curves of the H{sub 2} and LiH molecules. The algorithms are general and can be applied in calculations of systems with an arbitrary number of electrons.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Cluster truncated Wigner approximation in strongly interacting systems

We present a general method by which linear quantum Hamiltonian dynamics with exponentially many degrees of freedom is replaced by approximate classical nonlinear dynamics with the number of degrees of freedom (phase space dimensionality) scaling polynomially in the system size. This method is based on generalization of the truncated Wigner approximation (TWA) to a higher dimensional phase space, where phase space variables are associated with a complete set of quantum operators spanning finite size clusters. The method becomes asymptotically exact with increasing cluster size. The crucial feature of TWA is fluctuating initial conditions, which we approximate by a Gaussian distribution. We show that such fluctuations dramatically increase accuracy of TWA over traditional cluster mean-field approximations. In this way we can treat on equal footing quantum and thermal fluctuations as well as compute entanglement and various equal and non-equal time correlation functions. The main limitation of the method is exponential scaling of the phase space dimensionality with the cluster size, which can be significantly reduced by using the language of Schwinger bosons and can likely be further reduced by truncating the local Hilbert space variables. We demonstrate the power of this method analyzing dynamics in various spin chains with and without disorder and show that we can capture such phenomena as long time hydrodynamic relaxation, many-body localization and the ballistic spread of entanglement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Local representation of the electronic dielectric response function

We present a local representation of the electronic dielectric response function, based on a spatial partition of the dielectric response into contributions from each occupied Wannier orbital using a generalized density functional perturbation theory. This procedure is fully ab initio, and therefore allows us to rigorously define local metrics, such as “bond polarizability,” on Wannier centers. We show that the locality of the bare response function is determined by the locality of three quantities: Wannier functions of the occupied manifold, the density matrix, and the Hamiltonian matrix. Furthermore, in systems with a gap, the bare dielectric response is exponentially localized, which supports the physical picture of the dielectric response function as a collection of interacting local responses that can be captured by a tight-binding model.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Lattice QCD exploration of parton pseudo-distribution functions

Here, we demonstrate a new method of extracting parton distributions from lattice calculations. The starting idea is to treat the generic equal-time matrix element ${\cal M} (Pz_3, z_3^2)$ as a function of the Ioffe time $\nu = Pz_3$ and the distance $z_3$. The next step is to divide ${\cal M} (Pz_3, z_3^2)$ by the rest-frame density ${\cal M} (0, z_3^2)$. Our lattice calculation shows a linear exponential $z_3$-dependence in the rest-frame function, expected from the $Z(z_3^2)$ factor generated by the gauge link. Still, we observe that the ratio ${\cal M} (Pz_3 , z_3^2)/{\cal M} (0, z_3^2)$ has a Gaussian-type behavior with respect to $z_3$ for 6 values of $P$ used in the calculation. This means that $Z(z_3^2)$ factor was canceled in the ratio. When plotted as a function of $\nu$ and $z_3$, the data are very close to $z_3$-independent functions. This phenomenon corresponds to factorization of the $x$- and $k_\perp$-dependence for the TMD ${\cal F} (x, k_\perp^2)$. For small $z_3 \leq 4a$, the residual $z_3$-dependence is explained by perturbative evolution, with $\alpha_s/\pi =0.1$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Phylogenomics databases for facilitating functional genomics in rice

The completion of whole genome sequence of rice (Oryza sativa) has significantly accelerated functional genomics studies. Prior to the release of the sequence, only a few genes were assigned a function each year. Since sequencing was completed in 2005, the rate has exponentially increased. As of 2014, 1,021 genes have been described and added to the collection at The Overview of functionally characterized Genes in Rice online database (OGRO). Despite this progress, that number is still very low compared with the total number of genes estimated in the rice genome. One limitation to progress is the presence of functional redundancy among members of the same rice gene family, which covers 51.6 % of all non-transposable element-encoding genes. There remain a significant portion or rice genes that are not functionally redundant, as reflected in the recovery of loss-of-function mutants. To more accurately analyze functional redundancy in the rice genome, we have developed a phylogenomics databases for six large gene families in rice, including those for glycosyltransferases, glycoside hydrolases, kinases, transcription factors, transporters, and cytochrome P450 monooxygenases. In this review, we introduce key features and applications of these databases. We expect that they will serve as a very useful guide in the post-genomics era of research.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Physics-Informed Machine Learning Models for Predicting the Progress of Reactive-Mixing

This paper presents a physics-informed machine learning (ML) framework to construct reduced-order models (ROMs) for reactive-transport quantities of interest (QoIs) based on high-fidelity numerical simu-lations. QoIs include species decay, product yield, and degree of mixing. The ROMs for QoIs are applied to quantify and understand how the chemical species evolve over time. First, high-resolution datasets for constructing ROMs are generated by solving anisotropic reaction-di?usion equations using a non-negative finite element formulation for di?erent input parameters. The reactive-mixing model input parameters are: time-scale associated with flipping of velocity, spatial-scale controlling small/large vortex structures of velocity, perturbation parameter of the vortex-based velocity, anisotropic dispersion strength/contrast, and molecular diffusion. Second, random forests, F-test, and mutual information criterion are used to evaluate the importance of model inputs/features with respect to QoIs. We observed that anisotropic dispersion strength/contrast is the most important feature and time-scale associated with flipping of velocity is the least important feature. Third, Support Vector Machines (SVM) and Support Vector Regression (SVR) are used to construct ROMs based on the model inputs. The constructed SVR-ROMs are then used to predict scaling of QoIs. We also present estimates and inequalities on the QoIs, which inform that the species decay, mix, and produce in an exponential fashion. These inequalities also inform that a radial basis function is the most suitable kernel for the SVM/SVR models for QoIs. It is observed that R2-score for SVR-ROMs on unseen data is greater than 0.9, implying that the SVR-ROMs are able to predict the reaction-diffusion system state reasonably well. Finally, in terms of the computational cost, the proposed SVM-ROMs are O(107) times faster than running a high-fidelity finite element simulation for evaluating QoIs. This makes the proposed ML-based ROMs attractive for reactive-transport sensing and real-time monitoring applications as they are significantly faster yet reasonably accurate.

Mudunuru, Maruti K.↗
DOE OSTI2014

Portal dosimetry for VMAT using integrated images obtained during treatment

Purpose: Portal dosimetry provides an accurate and convenient means of verifying dose delivered to the patient. A simple method for carrying out portal dosimetry for volumetric modulated arc therapy (VMAT) is described, together with phantom measurements demonstrating the validity of the approach. Methods: Portal images were predicted by projecting dose in the isocentric plane through to the portal image plane, with exponential attenuation and convolution with a double-Gaussian scatter function. Appropriate parameters for the projection were selected by fitting the calculation model to portal images measured on an iViewGT portal imager (Elekta AB, Stockholm, Sweden) for a variety of phantom thicknesses and field sizes. This model was then used to predict the portal image resulting from each control point of a VMAT arc. Finally, all these control point images were summed to predict the overall integrated portal image for the whole arc. The calculated and measured integrated portal images were compared for three lung and three esophagus plans delivered to a thorax phantom, and three prostate plans delivered to a homogeneous phantom, using a gamma index for 3% and 3 mm. A 0.6 cm{sup 3} ionization chamber was used to verify the planned isocentric dose. The sensitivity of this method to errors in monitor units, field shaping, gantry angle, and phantom position was also evaluated by means of computer simulations. Results: The calculation model for portal dose prediction was able to accurately compute the portal images due to simple square fields delivered to solid water phantoms. The integrated images of VMAT treatments delivered to phantoms were also correctly predicted by the method. The proportion of the images with a gamma index of less than unity was 93.7% ± 3.0% (1SD) and the difference between isocenter dose calculated by the planning system and measured by the ionization chamber was 0.8% ± 1.0%. The method was highly sensitive to errors in monitor units and field shape, but less sensitive to errors in gantry angle or phantom position. Conclusions: This method of predicting integrated portal images provides a convenient means of verifying dose delivered using VMAT, with minimal image acquisition and data processing requirements.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2018

A quantum hydrodynamical description for scrambling and many-body chaos

Recent studies of out-of-time ordered thermal correlation functions (OTOC) in holographic systems and in solvable models such as the Sachdev-Ye-Kitaev (SYK) model have yielded new insights into manifestations of many-body chaos. So far the chaotic behavior has been obtained through explicit calculations in specific models. In this paper we propose a unified description of the exponential growth and ballistic butterfly spreading of OTOCs across different systems using a newly formulated “quantum hydrodynamics,” which is valid at finite ℏ and to all orders in derivatives. The scrambling of a generic few-body operator in a chaotic system is described as building up a “hydrodynamic cloud,” and the exponential growth of the cloud arises from a shift symmetry of the hydrodynamic action. The shift symmetry also shields correlation functions of the energy density and flux, and time ordered correlation functions of generic operators from exponential growth, while leads to chaotic behavior in OTOCs. The theory also predicts an interesting phenomenon of the skipping of a pole at special values of complex frequency and momentum in two-point functions of energy density and flux. This pole-skipping phenomenon may be considered as a “smoking gun” for the hydrodynamic origin of the chaotic mode. Here, we also discuss the possibility that such a hydrodynamic description could be a hallmark of maximally chaotic systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2015

Insulation Resistance Degradation in Ni-BaTiO3 Multilayer Ceramic Capacitors

Insulation resistance (IR) degradation in NiBaTiO3 multilayer ceramic capacitors has been characterized by the measurement of both time to failure (TTF) and direct current leakage current as a function of stress time under highly accelerated life test conditions. The measured leakage current time dependence data fit well to an exponential form, and a characteristic growth time tau (sub SD) can be determined. A greater value of tau (sub SD) represents a slower IR degradation process. Oxygen vacancy migration and localization at the grain boundary region results in the reduction of the Schottky barrier height and has been found to be the main reason for IR degradation in NiBaTiO3 capacitors. The reduction of barrier height as a function oftime follows an exponential relation of phi (t ) = phi (0) e (exp -2Kt), where 13 the degradation rate constant K Koe (Ek/kT) is inversely proportional to the mean TTF (MTTF) and can be determined using an Arrhenius plot. For oxygen vacancy electromigration, a lower barrier height phi (0) will favor a slow IR degradation process, but a lower phi (0) will also promote electronic carrier conduction across the barrier and decrease the IR. As a result, a moderate barrier height phi (0) (and therefore a moderate IR value) with a longer MTTF (smaller degradation rate constant K) will result in a minimized IR degradation process and the most improved reliability in NiBaTiO3 multilayer ceramic capacitors.

reliability↗
DOE OSTI2020

High Resolution Data Analysis: Plans and Prospects [Book Chapter]

Herein, a report on the progress on the high resolution data analysis of the ADMX experimental results is presented. In this paper, tools are developed and tested on a blind injection mimicking a Maxwellian like signal in the frequency domain. This blind injection will be used as a test bed which can be later implemented on all the high resolution data. The high resolution data is stored in the Fermilab server. In this analysis a PostgreSQL query was made to ensure the blind injection is in the middle of the frequency spectrum and 19 such files were found. The time series data is read using a c++ program. An apodization function is applied on the time series data and zero filled to reduce the frequency spacing in order to achieve a better interpolation. A FFTW header is used to compute the Fourier transform of the time series data. A Savitzky–Golay filter is applied on the unnormalized power which then can be used to remove the spectral shape. Each frequency spectrum has a bandwidth of 50 kHz.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Electrode Reactions in Slowly Relaxing Media

Here, standard models of reaction kinetics in condensed materials rely on the Boltzmann-Gibbs distribution for the population of reactants at the top of the free energy barrier separating them from the products. While energy dissipation and quantum effects at the barrier top can potentially affect the transmission coefficient entering the rate preexponential factor, much stronger dynamical effects on the reaction barrier are caused by the breakdown of ergodicity for populating the reaction barrier (violation of the Boltzmann-Gibbs statistics). When the spectrum of medium modes coupled to the reaction coordinate includes fluctuations slower than the reaction rate, such nuclear motions dynamically freeze on the reaction time-scale and do not contribute to the activation barrier. In this paper, we consider the consequences of this scenario for electrode reactions in slowly relaxing media. Changing electrode overpotential speeds electrode electron transfer up, potentially cutting through the spectrum of nuclear modes coupled to the reaction coordinate. The reorganization energy of electrochemical electron transfer becomes a function of the electrode overpotential, switching between the thermodynamic value at low rates to the nonergodic limit at higher rates. The sharpness of this transition depends of the relaxation spectrum of the medium. The reorganization energy experiences a sudden drop with increasing overpotential for a medium with a Debye relaxation, but becomes a much shallower function of the overpotential for media with stretched exponential dynamics. The latter scenario characterizes electron transfer in ionic liquids. The analysis of electrode reactions in room-temperature ionic liquids shows that the magnitude of the free energy of nuclear solvation is significantly below its thermodynamic limit. Finally, this result applies to reaction times faster than microseconds and is currently limited by the available dielectric relaxation data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Medium-range order and compositional correlation in metallic glasses

The compositional atomic ordering in metallic glasses was studied by simulation focusing on the medium-range order (MRO). Many metallic alloy liquids and glasses show MRO characterized by the oscillations in the atomic pair-distribution function (PDF) beyond the first peak, which decay exponentially with distance. To study the effects of the local chemical order on MRO, we examine the compositionally resolved PDF and its MRO for models of various binary metallic alloy glasses. We show that compositional ordering is limited mostly to the nearest-neighbor atoms and the MRO is largely independent of the compositional order. For some elements that strongly repel each other in the alloy, a second MRO periodicity is observed owing to the distinct correlations among them. These results are discussed in light of the idea that the MRO oscillations in the PDF describe the correlations in the atomic density fluctuations, rather than the detailed local atomic structure.

Atomic structure↗
DOE OSTI2012

SGR J1550-5418 BURSTS DETECTED WITH THE FERMI GAMMA-RAY BURST MONITOR DURING ITS MOST PROLIFIC ACTIVITY

We have performed detailed temporal and time-integrated spectral analysis of 286 bursts from SGR J1550-5418 detected with the Fermi Gamma-ray Burst Monitor (GBM) in 2009 January, resulting in the largest uniform sample of temporal and spectral properties of SGR J1550-5418 bursts. We have used the combination of broadband and high time-resolution data provided with GBM to perform statistical studies for the source properties. We determine the durations, emission times, duty cycles, and rise times for all bursts, and find that they are typical of SGR bursts. We explore various models in our spectral analysis, and conclude that the spectra of SGR J1550-5418 bursts in the 8-200 keV band are equally well described by optically thin thermal bremsstrahlung (OTTB), a power law (PL) with an exponential cutoff (Comptonized model), and two blackbody (BB) functions (BB+BB). In the spectral fits with the Comptonized model, we find a mean PL index of -0.92, close to the OTTB index of -1. We show that there is an anti-correlation between the Comptonized E{sub peak} and the burst fluence and average flux. For the BB+BB fits, we find that the fluences and emission areas of the two BB functions are correlated. The low-temperature BB has an emission area comparable to the neutron star surface area, independent of the temperature, while the high-temperature BB has a much smaller area and shows an anti-correlation between emission area and temperature. We compare the properties of these bursts with bursts observed from other SGR sources during extreme activations, and discuss the implications of our results in the context of magnetar burst models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

ON THE ORIGIN OF LOPSIDEDNESS IN GALAXIES AS DETERMINED FROM THE SPITZER SURVEY OF STELLAR STRUCTURE IN GALAXIES (S{sup 4}G)

We study the m = 1 distortions (lopsidedness) in the stellar components of 167 nearby galaxies that span a wide range of morphologies and luminosities. We confirm the previous findings of (1) a high incidence of lopsidedness in the stellar distributions, (2) increasing lopsidedness as a function of radius out to at least 3.5 exponential scale lengths, and (3) greater lopsidedness, over these radii, for galaxies of later type and lower surface brightness. Additionally, the magnitude of the lopsidedness (1) correlates with the character of the spiral arms (stronger arm patterns occur in galaxies with less lopsidedness), (2) is not correlated with the presence or absence of a bar, or the strength of the bar when one is present, (3) is inversely correlated to the stellar mass fraction, f{sub *}, within one radial scale length, and (4) correlates directly with f{sub *} measured within the radial range over which we measure lopsidedness. We interpret these findings to mean that lopsidedness is a generic feature of galaxies and does not, generally, depend on a rare event, such as a direct accretion of a satellite galaxy onto the disk of the parent galaxy. While lopsidedness may be caused by several phenomena, moderate lopsidedness ((A{sub 1}){sub i} + (A{sub 1}){sub o})/2 < 0.3) is likely to reflect halo asymmetries to which the disk responds or a gravitationally self-generated mode. We hypothesize that the magnitude of the stellar response depends both on how centrally concentrated the stars are with respect to the dark matter and whether there are enough stars in the region of the lopsidedness that self-gravity is dynamically important.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Exponential Escape Rate of Filamentary Incubation in Mott Spiking Neurons

Mott materials such as vanadium oxides, when subject to a strong applied voltage, present an inhomogeneous insulator-to-metal transition with formation of metallic filaments within the insulating bulk. This property is enabling the development of compact and power-efficient neuromorphic devices known as Mott neurons. However, the nature of the transition has not been fully understood yet, as it may be attributed to different effects, including Joule self-heating and hot-carrier injection. Moreover, the experimental determination of the threshold voltage needed to induce the transition has proven to be challenging, as the transition becomes increasingly unpredictable when the threshold is approached. The physical understanding of these issues would not only deepen our understanding of Mott insulators, but would also be an important step toward the realization of neuromorphic devices based on such materials. In this work we use numerical simulations based on the Mott resistor network model to study the nature of the filament incubation and formation process. Here, we show that both electronic and thermal effects, in the form of current density focusing and Joule self-heating, respectively, contribute to the filamentary incubation and growth. Remarkably, we find that the percolation of the metallic filaments near the threshold is intrinsically stochastic, qualitatively similar to the familiar Arrhenius activated behavior and to the stochastic firing of biological neurons. More precisely, we characterize the filament percolation as a Poisson point process, which has the same probability distribution as mathematical models of neuronal firing with an exponential escape rate. Finally, we support the numerical simulation results by performing experiments in VO 2 that are in agreement with the exponential escape rate behavior. Thus, we establish a functionality of Mott insulators that opens a path toward implementing neuromorphic hardware with quantum materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Substantiation of the Possibility of Predicting Behavior of Solids under Extreme Conditions at Various High-Intensity Impacts

The paper is devoted to the data analysis on the amplitude-time regularities of the dynamic failure process of solids under various types of high-intensity impact in the ranges of nonequilibrium states from 3 × 10{sup −10} to 10{sup −5} s and establishing general regularities of behavior of unstudied materials under extreme conditions. We have analyzed the process of dynamic destruction of solids of different nature using the method of magnetic-pulse loading in the microsecond range of nonequilibrium states, as well as the dynamic failure process for a number of metals in the mode of pulsed volume heating under the action of pulsed relativistic electron beams in the nanosecond and subnanosecond range of nonequilibrium states. It has been shown that, upon using different methods of pulsed loading in the dynamic longevity range, the failure time as a function of amplitude of applied load has an exponential form for various solid materials. This indicates the scaling nature of the destruction process. The foregoing determines the possibility of predicting the behavior of unstudied solid bodies in the dynamic range of nonequilibrium states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗