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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Influence of the starting temperature of calorimetric measurements on the accuracy of determined magnetocaloric effect

Availability of a restricted heat capacity data range has a clear influence on the accuracy of calculated magnetocaloric effect, as confirmed by both numerical simulations and experimental measurements. Simulations using the Bean-Rodbell model show that, in general, the approximated magnetocaloric effect curves calculated using a linear extrapolation of the data starting from a selected temperature point down to zero kelvin deviate in a non-monotonic way from those correctly calculated by fully integrating the data from near zero temperatures. However, we discovered that a particular temperature range exists where the approximated magnetocaloric calculation provides the same result as the fully integrated one. These specific truncated intervals exist for both first and second order phase transitions and are the same for the adiabatic temperature change and magnetic entropy change curves. Here, the effect of this truncated integration in real samples was confirmed using heat capacity data of Gd metal and Gd 5 Si 2 Ge 2 compound measured from near zero temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Splitting Mono- and Di-Branched Alkane Isomers by a Robust Aluminum-Based Metal-Organic Framework Material with Optimal Pore Dimensions

The separation of alkanes with different degrees of branching, particularly mono- and dibranched isomers, represents a challenging yet important industrial process for the production of premium gasoline blending components with high octane number. We report here the separation of linear/monobranched and dibranched alkanes through complete molecular sieving by a robust aluminum-based MOF material, Al-bttotb (H 3 bttotb = 4,4',4"-(benzene-1,3,5-triyltris(oxy))tribenzoicacid). Single- and multicomponent adsorption experiments reveal that the material adsorbs linear and monobranched alkanes, but fully excludes their dibranched isomers. Adsorption sites of alkanes within the MOF channels have been identified by single-crystal X-ray diffraction studies, and the adsorption mechanism was explored through computational calculations and modeling. The highly selective adsorption of the MOF should be attributed to its optimal pore dimensions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Model based multivariable controller for large scale compression stations. Design and experimental validation on the LHC 18KW cryorefrigerator

In this paper, a multivariable model-based non-linear controller for Warm Compression Stations (WCS) is proposed. The strategy is to replace all the PID loops controlling the WCS with an optimally designed model-based multivariable loop. This new strategy leads to high stability and fast disturbance rejection such as those induced by a turbine or a compressor stop, a key-aspect in the case of large scale cryogenic refrigeration. The proposed control scheme can be used to have precise control of every pressure in normal operation or to stabilize and control the cryoplant under high variation of thermal loads (such as a pulsed heat load expected to take place in future fusion reactors such as those expected in the cryogenic cooling systems of the International Thermonuclear Experimental Reactor ITER or the Japan Torus-60 Super Advanced fusion experiment JT-60SA). The paper details how to set the WCS model up to synthesize the Linear Quadratic Optimal feedback gain and how to use it. After preliminary tuning at CEA-Grenoble on the 400W@1.8K helium test facility, the controller has been implemented on a Schneider PLC and fully tested first on the CERN's real-time simulator. Then, it was experimentally validated on a real CERN cryoplant. The efficiency of the solution is experimentally assessed using a reasonable operating scenario of start and stop of compressors and cryogenic turbines. This work is partially supported through the European Fusion Development Agreement (EFDA) Goal Oriented Training Program, task agreement WP10-GOT-GIRO.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Block-diagonalization as a tool for the robust diabatization of high-dimensional potential energy surfaces

Robust diabatization techniques are key for the development of high-dimensional coupled potential energy surfaces (PESs) to be used in multi-state quantum dynamics simulations. In the present study we demonstrate that, besides the actual diabatization technique, common problems with the underlying electronic structure calculations can be the reason why a diabatization fails. After giving a short review of the theoretical background of diabatization, we propose a method based on the block-diagonalization to analyse the electronic structure data. This analysis tool can be used in three different ways: First, it allows to detect issues with the ab initio reference data and is used to optimize the setup of the electronic structure calculations. Second, the data from the block-diagonalization are utilized for the development of optimal parametrized diabatic model matrices by identifying the most significant couplings. Third, the block-diagonalization data are used to fit the parameters of the diabatic model, which yields an optimal initial guess for the non-linear fitting required by standard or more advanced energy based diabatization methods. The new approach is demonstrated by the diabatization of 9 electronic states of the propargyl radical, yielding fully coupled full-dimensional (12D) PESs in closed form.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A GLOBAL MODEL OF THE LIGHT CURVES AND EXPANSION VELOCITIES OF TYPE II-PLATEAU SUPERNOVAE

We present a new self-consistent and versatile method that derives photospheric radius and temperature variations of Type II-Plateau supernovae based on their expansion velocities and photometric measurements. We apply the method to a sample of 26 well-observed, nearby supernovae with published light curves and velocities. We simultaneously fit ∼230 velocity and ∼6800 mag measurements distributed over 21 photometric passbands spanning wavelengths from 0.19 to 2.2 μm. The light-curve differences among the Type II-Plateau supernovae are well modeled by assuming different rates of photospheric radius expansion, which we explain as different density profiles of the ejecta, and we argue that steeper density profiles result in flatter plateaus, if everything else remains unchanged. The steep luminosity decline of Type II-Linear supernovae is due to fast evolution of the photospheric temperature, which we verify with a successful fit of SN 1980K. Eliminating the need for theoretical supernova atmosphere models, we obtain self-consistent relative distances, reddenings, and nickel masses fully accounting for all internal model uncertainties and covariances. We use our global fit to estimate the time evolution of any missing band tailored specifically for each supernova, and we construct spectral energy distributions and bolometric light curves. We produce bolometric corrections for all filter combinations in our sample. We compare our model to the theoretical dilution factors and find good agreement for the B and V filters. Our results differ from the theory when the I, J, H, or K bands are included. We investigate the reddening law toward our supernovae and find reasonable agreement with standard R{sub V}∼3.1 reddening law in UBVRI bands. Results for other bands are inconclusive. We make our fitting code publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1976

Aircraft model prototypes which have specified handling-quality time histories

Several techniques for obtaining linear constant-coefficient airplane models from specified handling-quality time histories are discussed. One technique, the pseudodata method, solves the basic problem, yields specified eigenvalues, and accommodates state-variable transfer-function zero suppression. The method is fully illustrated for a fourth-order stability-axis small-motion model with three lateral handling-quality time histories specified. The FORTRAN program which obtains and verifies the model is included and fully documented.

Johnson, S. H.↗
NASA NTRS1995

A Variational Formulation for the Finite Element Analysis of Sound Wave Propagation in a Spherical Shell

Development of design tools to furnish optimal acoustic environments for lightweight aircraft demands the ability to simulate the acoustic system on a workstation. In order to form an effective mathematical model of the phenomena at hand, we have begun by studying the propagation of acoustic waves inside closed spherical shells. Using a fully-coupled fluid-structure interaction model based upon variational principles, we have written a finite element analysis program and are in the process of examining several test cases. Future investigations are planned to increase model accuracy by incorporating non-linear and viscous effects.

Lebiedzik, Catherine↗
DOE OSTI2016

Multiple surface plasmons in an unbounded quantum plasma half-space

The propagation of surface plasmons on a quantum plasma half-space in the absence of any external confinement is investigated. By means of the Quantum Hydrodynamic Model in the electrostatic limit, it is found that the equilibrium density profile is a smooth continuous function which, in the linear regime, supports multiple non-normal surface modes. Defining a spectrum function and using a cutting condition, the dispersion relations of these modes and their relevance for realistic dynamics are computed. It is found that the multiple surface plasmons present a significant red-shift with respect to the case of fully bounded quantum plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Fully compressible simulations of waves and core convection in main-sequence stars

Context: Recent, nonlinear simulations of wave generation and propagation in full-star models have been carried out in the anelastic approximation using spectral methods. Although it makes long time steps possible, this approach excludes the physics of sound waves completely and requires rather high artificial viscosity and thermal diffusivity for numerical stability. A direct comparison with observations is thus limited. Aims: In this study, we explore the capabilities of our compressible multidimensional Seven-League Hydro (SLH) code to simulate stellar oscillations. Methods: We compare some fundamental properties of internal gravity and pressure waves in 2D SLH simulations to linear wave theory using two test cases: (1) an interval gravity wave packet in the Boussinesq limit and (2) a realistic 3 M ⊙ stellar model with a convective core and a radiative envelope. Oscillation properties of the stellar model are also discussed in the context of observations. Results: Our tests show that specialized low-Mach techniques are necessary when simulating oscillations in stellar interiors. Basic properties of internal gravity and pressure waves in our simulations are in good agreement with linear wave theory. As compared to anelastic simulations of the same stellar model, we can follow internal gravity waves of much lower frequencies. The temporal frequency spectra of velocity and temperature are flat and compatible with the observed spectra of massive stars. Conclusion: The low-Mach compressible approach to hydrodynamical simulations of stellar oscillations is promising. Our simulations are less dissipative and require less luminosity boosting than comparable spectral simulations. The fully-compressible approach allows for the coupling of gravity and pressure waves in the outer convective envelopes of evolved stars to be studied in the future.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Resolving Dynamic Properties of Polymers through Coarse-Grained Computational Studies

Coupled length and time scales determine the dynamic behavior of polymers and underlie their unique viscoelastic properties. To resolve the long-time dynamics it is imperative to determine which time and length scales must be correctly modeled. In this paper, we probe the degree of coarse graining required to simultaneously retain significant atomistic details and access large length and time scales. The degree of coarse graining in turn sets the minimum length scale instrumental in defining polymer properties and dynamics. Using linear polyethylene as a model system, we probe how the coarse-graining scale affects the measured dynamics. Iterative Boltzmann inversion is used to derive coarse-grained potentials with 2–6 methylene groups per coarse-grained bead from a fully atomistic melt simulation. We show that atomistic detail is critical to capturing large-scale dynamics. Finally, using these models we simulate polyethylene melts for times over 500 μs to study the viscoelastic properties of well-entangled polymer melts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2003

Transition-Sensitized Turbulence Models for Compressible and Incompressible Flows

During the grant period from January 1,2002 to December 31,2002 work was carried out on three projects to extend the range of applicability of advanced turbulence models. First, a new transition-sensitized turbulence model was tested and refined. Second, the influence of compressibility on the pressure-strain rate correlation was studied. Third, the relationship between time-filtered large eddy simulation (TLES) and Reynolds-averaged Navier Stokes (RANS) modeling was investigated leading to submission of the article. The transition-sensitized turbulence model encompasses the early-stage transition and turbulent flow regimes describing the evolution of the ensemble mean disturbance energy and dissipation rate. It is founded on a consistent mathematical description of the laminar regime with its linear disturbances and the fully turbulent regime with its stochastic fluctuations. The unified description is provided by the ensemble viewpoint.

Thacker, William D.↗
NASA NTRS2008

Fatigue Behavior of a Third Generation PM Disk Superalloy

The fatigue behavior of a 3rd generation PM disk alloy, LSHR, was studied at 1300 F. Tensile, creep, and fatigue tests were run on smooth and notched (Kt = 2) bars under a variety of conditions. Analysis of smooth bar fatigue data, run under strain and load control with R ratios of 0 and -1, showed that a stress based Smith-Watson-Topper approach could collapse the data set. While the tensile and creep data showed substantial notch strengthening at 1300 F, the fatigue data showed a life deficit for the notch specimens. A viscoplastic finite element model, which accounted for stress relaxation at the notch tip, provided the best correlation between the notched and smooth bar behavior, although the fatigue data was not fully rationalized based on this simplified viscoplastic model of the stresses at the notch tip.Inclusion of a 90 sec dwell at peak load was found to dramatically decrease notch fatigue life. This result was shown to be consistent with a simple linear creep-fatigue damage rule, where creep damage dominated at low stresses and fatigue damage was more prevalent at higher stresses.

Gayda, John↗
NASA NTRS2018

Mars Optimal Aerobrake Maneuver Estimation

Mars science satellites often perform orbit changes to obtain different measurements, ground tracks or relay operations. Large reductions in semi-major axis and eccentricity can be done efficiently using the atmospheric drag, a.k.a aerobrake. Aerobraking is one of the most challenging planetary orbit maneuvers in terms of planning and operations. The most important consideration for aerobraking is maintaining the spacecraft's periapsis within an allocated atmospheric density corridor, which is accomplished by raising or lowering periapsis through one or a series of very small and short maneuvers. These maneuvers must be performed as efficiently as possible due to propellant constraints. Work herein details a fast and accurate method to calculate the required impulsive velocity changes in the orbit to guarantee that the spacecraft remains in a prescribed density corridor. The method makes use of the orbit's state transition matrix to map the solution space around the reference orbit. It evaluates the most efficient maneuver epochs to target a given periapsis change with a linear optimal control for single or multiple maneuvers. A fast calculation of the maneuver allows for a more comprehensive evaluation of the trade space, and the selected maneuver may be re-targeted later with a higher- fidelity model. Comparisons against fully propagated models and direct method optimizations demonstrate the new method's performance.

Sarli, Bruno V.↗
DOE OSTI2020

Track Seeding and Labelling with Embedded-space Graph Neural Networks

To address the unprecedented scale of HL-LHC data, the Exa.TrkX project is investigating a variety of machine learning approaches to particle track reconstruction. The most promising of these solutions, graph neural networks (GNN), process the event as a graph that connects track measurements (detector hits corresponding to nodes) with candidate line segments between the hits (corresponding to edges). Detector information can be associated with nodes and edges, enabling a GNN to propagate the embedded parameters around the graph and predict node-, edge- and graph-level observables. Previously, message-passing GNNs have shown success in predicting doublet likelihood, and we here report updates on the state-of-the-art architectures for this task. In addition, the Exa.TrkX project has investigated innovations in both graph construction, and embedded representations, in an effort to achieve fully learned end-to-end track finding. Hence, we present a suite of extensions to the original model, with encouraging results for hitgraph classification. In addition, we explore increased performance by constructing graphs from learned representations which contain non-linear metric structure, allowing for efficient clustering and neighborhood queries of data points. We demonstrate how this framework fits in with both traditional clustering pipelines, and GNN approaches. The embedded graphs feed into high-accuracy doublet and triplet classifiers, or can be used as an end-to-end track classifier by clustering in an embedded space. A set of post-processing methods improve performance with knowledge of the detector physics. Finally, we present numerical results on the TrackML particle tracking challenge dataset, where our framework shows favorable results in both seeding and track finding.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Deep Modeling: Circuit Characterization Using Theory Based Models in a Data Driven Framework

Analog computational circuits have been demonstrated to provide substantial improvements in power and speed relative to digital circuits, especially for applications requiring extreme parallelism but only modest precision. Deep machine learning is one such area and stands to benefit greatly from analog and mixed-signal implementations. However, even at modest precisions, offsets and non-linearity can degrade system performance. Furthermore, in all but the simplest systems, it is impossible to directly measure the intermediate outputs of all sub-circuits. The result is that circuit designers are unable to accurately evaluate the non-idealities of computational circuits in-situ and are therefore unable to fully utilize measurement results to improve future designs. In this paper we present a technique to use deep learning frameworks to model physical systems. Recently developed libraries like TensorFlow make it possible to use back propagation to learn parameters in the context of modeling circuit behavior. Offsets and scaling errors can be discovered even for sub-circuits that are deeply embedded in a computational system and not directly observable. The learned parameters can be used to refine simulation methods or to identify appropriate compensation strategies. We demonstrate the framework using a mixed-signal convolution operator as an example circuit.

Bolme, David S↗
DOE OSTI2019

MARS-F modeling of post-disruption runaway beam loss by magnetohydrodynamic instabilities in DIII-D

A drift orbit model for relativistic test electrons has been incorporated into the MARS-F code, in order to study the runaway electron (RE) behavior in the presence of magneto-hydrodynamic perturbations computed by MARS-F. By implementing the model directly into the MARS-F curve-linear magnetic coordinates, maximal accuracy in representing the full field perturbation is preserved. The updated code is utilized to study the high current RE beam loss in a post-disruption DIII-D plasma, revealing that a fast growing, n = 1 ( n is the toroidal mode number) resistive kink instability, at ~100 Gauss level, can induce significant fraction of RE loss, largely by perturbing drift orbits of REs. A 103 Gauss perturbation fully terminates the RE beam, as found in both experiment and modeling. The 3-D field induced loss increases with the perturbation amplitude but decreases with the particle energy. The loss fraction is generally not sensitive to the initial particle pitch angle. The particle velocity change, due to electric field acceleration/deceleration, small pitch angle scattering, synchrotron radiation and Bremsstrahlung, further perturbs the RE trajectory but plays a minor role in prompt RE loss within microseconds time scale. Therefore, the dominant dependencies are simply the RE energy and instability strength. For comparison, a resonant magnetic perturbation field, generated by 4 kAt n = 3 even parity I-coil currents in DIII-D and with the plasma response field included, is found to induce almost no loss for the same RE beam.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Compound Drought and Heatwaves at a Global Scale: The Role of Natural Climate Variability-Associated Synoptic Patterns and Land-Surface Energy Budget Anomalies

Compound drought and heatwave (CDHW) events have garnered much attention in recent studies. However, thus far, the identification of such events is oversimplified, and their association with natural climate variability is not fully explored. Here, we derive anomalies in the weekly self-calibrated Palmer Drought Severity Index (sc_PDSI) and daily maximum temperatures to identify CDHW events from 1982 to 2016 over 26 climate regions across the globe. Using a Poisson Generalized Linear Model (GLM), we analyze yearly occurrences of seasonal CDHW events and their association with the warm and cold phases of El Nino Southern Oscillation (ENSO), Pacific Decadal Oscillation (PDO), and North Atlantic Oscillation (NAO). ENSO exhibits robust association with CDHW events over the Southern Hemisphere during the austral summer and fall, while PDO influences their occurrences over the Western North America in the Northern Hemisphere during the boreal summer, which is supported by the composites of anomalies in the atmospheric circulations and surface energy budget. However, NAO association with CDHW events is relatively weak. The CDHW occurrence over other regions is driven by a combination of these large-scale natural forcing. Our analyses also highlight that the cooccurrence of weekly to submonthly scale anomalies in the observed temperature and precipitation may not be always aligned between the observations and the reanalysis. Therefore, caution must be exercised while explaining such observed anomalies on the basis of reanalysis-based circulations and surface energy budget. Lastly, our analyses provide a new insight towards concurrent extremes and should help foster research efforts in this area.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

CGL description revisited

Solar wind observational studies have emphasized that the solar wind plasma data is bounded by the mirror and firehose instabilities, and it is often believed that these instabilities are of a purely kinetic nature. The simplest fluid model that generalizes magnetohydrodynamics with anisotropic temperatures is the Chew-Goldberger-Low model (CGL). Here we briefly revisit the CGL description and discuss its (otherwise well-documented) linear firehose and mirror instability thresholds; namely that the firehose instability threshold is identical to the one found from linear kinetic theory and that the mirror threshold contains a factor of 6 error. We consider a simple higher-order fluid model with time dependent heat flux equations and show that the mirror instability threshold is correctly reproduced. We also present fully nonlinear three-dimensional simulations of freely decaying turbulence for the Hall-CGL model with isothermal electrons. The spatial resolution of these simulations is 512{sup 3} and the formation of a spectral break in magnetic and velocity field spectra around the proton inertial length is found.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗