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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 1,639 records · Page 91
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

An examination of magnetized outflows from active galactic nuclei in galaxy clusters: Magnetized outflows in galaxy clusters

We present 3D adaptive mesh refinement magnetohydrodynamic (MHD) simulations of an isolated galaxy cluster that include injection of kinetic, thermal and magnetic energy via a central active galactic nucleus (AGN) in order to study and evaluate the role that AGN may play in producing the observed cluster-wide magnetic fields. Using the MHD solver in flash 3.3, we compare several subresolution approaches to the evolution of AGN, specifically focusing on large-scale jet and bubble models. We examine the effects of magnetized outflows on the accretion history of the black hole and cluster thermodynamic properties, discuss the ability of various models to magnetize the cluster medium, and assess the sensitivity of these models to their underlying subgrid parameters. We find that magnetized jet-based models suffer a severe reduction in accretion rate compared to hydrodynamic jets; however, bubble models remain largely unaffected. While both jets and sporadically placed bubbles have difficulty reproducing the observed strength and topology of cluster magnetic fields, models based on centrally located bubbles come closest to observations. Finally, whereas jet models are relatively insensitive to changes in their subgrid parameters, the accretion rate and average magnetic field produced by the bubbles vary by as much as an order of magnitude depending on the grid resolution and accretion strength.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Nucleation and structural growth of cluster crystals

We study the nucleation of crystalline cluster phases in the generalized exponential model with exponent n = 4. Due to the finite value of this pair potential for zero separation, at high densities the system forms cluster crystals with multiply occupied lattice sites. Here, we investigate the microscopic mechanisms that lead to the formation of cluster crystals from a supercooled liquid in the low-temperature region of the phase diagram. Using molecular dynamics and umbrella sampling, we calculate the free energy as a function of the size of the largest crystalline nucleus in the system, and compare our results with predictions from classical nucleation theory. Employing bond-order parameters based on a Voronoi tessellation to distinguish different crystal structures, we analyze the average composition of crystalline nuclei. We find that even for conditions where a multiply occupied fcc crystal is the thermodynamically stable phase, the nucleation into bcc cluster crystals is strongly preferred. Furthermore, we study the particle mobility in the supercooled liquid and in the cluster crystal. In the cluster crystal, the motion of individual particles is captured by a simple reaction-diffusion model introduced previously to model the kinetics of hydrogen bonds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1987

Gravitational microlensing and gamma-ray bursts

Models of gravitational microlensing at small and large optical depth are presented, with a special emphasis on the time delays between microimages. The time distribution of microimage arrival times is random when the microobjects responsible for the lensing are randomly distributed. If the microobjects are clustered in space, then microimages are clustered in time. In some models there are many pairs of microimages with a very small time separation. It is proposed that the recently discovered recurrent soft gamma-ray burster GB 790107, for which more than 50 bursts were detected, is a single event multiply imaged due to gravitational microlensing by an ensemble of nonrandomly distributed microobjects, perhaps a rich cluster of galaxies. Some observational tests of this hypothesis are proposed. If correct, the hypothesis requires the burster to be at a cosmological distance, perhaps farther away than the most distant quasars.

Paczynski, Bohdan↗
DOE OSTI2019

Evacuation decision behavior for no-notice emergency events

No-notice emergency events refer to unpredictable disasters such as earthquakes, chemical spills, or terrorist attacks, where it is impracticable to forewarn the public about their occurrence and design evacuation plans for them. This calls for an in-depth investigation of people’s evacuation behavior and identifying the most influential factors in their evacuation planning process to develop policy-sensitive pre-disaster plans for such events. As a response to this need, this study investigates individuals’ evacuation decision behavior in the context of no-notice emergency events. Since it is highly expected that people will have heterogenous decision behavior in such situations, we first apply a clustering algorithm to classify them into three maximally homogeneous clusters. Then, cluster-specific multivariate ordered probit models are developed to estimate the likelihood of selecting any of the three options of ignoring the situation, seeking shelter at the place, and evacuating to a safe place. The model estimation results indicate that a wide spectrum of factors affect the evacuation decision including individuals’ socio-economic attributes, disaster characteristics, built-environment factors, and government evacuation order. Further, variations of estimated coefficients across the population clusters highlight the significant dissimilarities in decision behavior of their associated members.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2017

Failure Diameter of PBX 9502: Simulations with the SURFplus model

SURFplus is a reactive burn model for high explosives aimed at modelling shock initiation and propagation of detonation waves. It utilizes the SURF model for the fast hot-spot reaction plus a slow reaction for the energy released by carbon clustering. A feature of the SURF model is that there is a partially decoupling between burn rate parameters and detonation wave properties. Previously, parameters for PBX 9502 that control shock ini- tiation had been calibrated to Pop plot data (distance-of-run to detonation as a function of shock pressure initiating the detonation). Here burn rate parameters for the high pres- sure regime are adjusted to t the failure diameter and the limiting detonation speed just above the failure diameter. Simulated results are shown for an uncon ned rate stick when the 9502 diameter is slightly above and slightly below the failure diameter. Just above the failure diameter, in the rest frame of the detonation wave, the front is sonic at the PBX/air interface. As a consequence, the lead shock in the neighborhood of the interface is supported by the detonation pressure in the interior of the explosive rather than the reaction immediately behind the front. In the interior, the sonic point occurs near the end of the fast hot-spot reaction. Consequently, the slow carbon clustering reaction can not a ect the failure diameter. Below the failure diameter, the radial extent of the detonation front decreases starting from the PBX/air interface. That is, the failure starts at the PBX boundary and propagates inward to the axis of the rate stick.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2024

Machine Learning and IAST-Aided High-Throughput Screening of Cationic and Silica Zeolites for Alkane Capture, Storage, and Separations

We present an approach for quantitatively predicting the temperature-dependent single-component adsorption behavior of linear alkanes in silica and Na-exchanged cationic zeolites using machine learning (ML) models trained from extensive molecular simulations based on force fields with coupled cluster accuracy. A high-performing classification model was developed to distinguish between instances with negligible and non-negligible adsorption. Subsequently, two ML models were trained to predict the single-component adsorption loading and the heat of adsorption at any pressure at 300 K for any zeolite topology and silicon-to-aluminum ratio. The ML models were trained on International Zeolite Association (IZA) zeolites, and their transferability to hypothetical zeolites was successfully validated. We then expand the power of these predictions to adsorbed mixtures at arbitrary temperatures by integrating them with the Clausius–Clapeyron equation and ideal adsorbed solution theory (IAST). This approach was validated and then applied to a temperature swing adsorption separation process to demonstrate its practical utility. We demonstrate how predictions from this ML-enabled approach can allow the selection of high-performing materials that are then validated using detailed molecular simulations based on quantitatively accurate force fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

QUASI-STEADY CONFIGURATIONS OF CONDUCTIVE INTRACLUSTER MEDIA

The radial distributions of temperature, density, and gas entropy among cool-core clusters tend to be quite similar, suggesting that they have entered a quasi-steady state. If that state is regulated by a combination of thermal conduction and feedback from a central active galactic nucleus (AGN), then the characteristics of those radial profiles ought to contain information about the spatial distribution of AGN heat input and the relative importance of thermal conduction. This paper addresses those topics by deriving steady-state solutions for clusters in which radiative cooling, electron thermal conduction, and thermal feedback fueled by accretion are all present, with the aim of interpreting the configurations of cool-core clusters in terms of steady-state models. It finds that the core configurations of many cool-core clusters have entropy levels just below those of conductively balanced solutions in which magnetic fields have suppressed electron thermal conduction to {approx}1/3 of the full Spitzer value, suggesting that AGN feedback is triggered when conduction can no longer compensate for radiative cooling. And even when feedback is necessary to heat the central {approx}30 kpc, conduction may still be the most important heating mechanism within a cluster's central {approx}100 kpc.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2006

Engine System Model Development for Nuclear Thermal Propulsion

In order to design, analyze, and evaluate conceptual Nuclear Thermal Propulsion (NTP) engine systems, an improved NTP design and analysis tool has been developed. The NTP tool utilizes the Rocket Engine Transient Simulation (ROCETS) system tool and many of the routines from the Enabler reactor model found in Nuclear Engine System Simulation (NESS). Improved non-nuclear component models and an external shield model were added to the tool. With the addition of a nearly complete system reliability model, the tool will provide performance, sizing, and reliability data for NERVA-Derived NTP engine systems. A new detailed reactor model is also being developed and will replace Enabler. The new model will allow more flexibility in reactor geometry and include detailed thermal hydraulics and neutronics models. A description of the reactor, component, and reliability models is provided. Another key feature of the modeling process is the use of comprehensive spreadsheets for each engine case. The spreadsheets include individual worksheets for each subsystem with data, plots, and scaled figures, making the output very useful to each engineering discipline. Sample performance and sizing results with the Enabler reactor model are provided including sensitivities. Before selecting an engine design, all figures of merit must be considered including the overall impacts on the vehicle and mission. Evaluations based on key figures of merit of these results and results with the new reactor model will be performed. The impacts of clustering and external shielding will also be addressed. Over time, the reactor model will be upgraded to design and analyze other NTP concepts with CERMET and carbide fuel cores.

Nelson, Karl W.↗
DOE OSTI2020

Future projections of wind patterns in California with the variable-resolution CESM: a clustering analysis approach

Wind energy production is expected to be affected by shifts in wind patterns that will accompany climate change. However, many questions remain on the magnitude and character of this impact, especially on regional scales. In this study, clustering is used to group and analyze large-scale wind patterns in California using model simulations from the variable-resolution Community Earth System Model (VR-CESM). Specifically, simulations have been produced that cover historical (1980–2000), mid-century (2030–2050), and end-of-century (2080–2100) time periods. Once clustered, observed changes to wind patterns can be analyzed in terms of both the change in frequency of those clusters and changes to winds within-clusters. Statistically significant capacity factors changes have been found at all five wind plant sites. Further, decomposition of the capacity factor changes into frequency changes and within-cluster changes enables a better understanding of their drivers. A further examination of the synoptic-scale fields associated with each cluster then provides a better understanding of how changes to large-scale meteorological fields are important for driving changes in localized wind speeds.

17 WIND ENERGY↗
DOE OSTI2018

Challenging Geostatistical Methods To Represent Heterogeneity in CO2 Reservoirs Under Residual Trapping

Abstract Geostatistical methods based on two-point spatial-bivariate statistics have been used to model heterogeneity within computational studies of the dispersion of contaminants in groundwater reservoirs and the trapping of CO2 in geosequestration reservoirs. The ability of these methods to represent fluvial architecture, commonly occurring in such reservoirs, has been questioned. We challenged a widely used two-point spatial-bivariate statistical method to represent fluvial heterogeneity in the context of representing how reservoir heterogeneity affects residual trapping of CO2 injected for geosequestration. A more rigorous model for fluvial architecture was used as the benchmark in these studies. Both the geostatistically generated model and the benchmark model were interrogated, and metrics for the connectivity of high-permeability preferential flow pathways were quantified. Computational simulations of CO2 injection were performed, and metrics for CO2 dynamics and trapping were quantified. All metrics were similar between the two models. The percentage of high-permeability cells in spanning connected clusters (percolating clusters) was similar because percolation is strongly dependent upon proportions, and the same proportion of higher permeability cross-strata was specified in generating both models. The CO2 plume dynamics and residual trapping metrics were similar because they are largely controlled by the occurrence of percolating clusters. The benchmark model represented more features of the fluvial architecture and, depending on context, representing those features may be quite important, but the simpler geostatistical model was able to adequately represent fluvial reservoir architecture within the context and within the scope of the parameters represented here.

defects, mechanical behavior, carbon sequestration↗
DOE OSTI2021

Activation of N 2 on Manganese Nitride-Supported Ni 3 and Fe 3 Clusters and Relevance to Ammonia Formation

Dual-site models were constructed to represent manganese nitride (Mn 4 N)-supported Ni 3 and Fe 3 clusters for NH 3 synthesis. Density functional theory calculations produced an energy barrier of approximately 0.55 eV for N–N bond activation at the interfacial nitrogen vacancy sites (N v ); also, the hydrogenation and removal of interfacial N is promoted by earth-abundant Ni and Fe metals. Steady-state microkinetic modeling revealed that the turnover frequencies of NH 3 production follow an order of Fe 3 @Mn 4 N ≈ Ni 3 @Mn 4 N > Mn 4 N > Fe >> Ni. Moreover, we present clear evidence that, before NH 3 formation, NH migrates from N v onto the metallic sites. Using N binding energy (BE N ) and the transition-state energy of N 2 activation (E TS ) as descriptors, we concluded that the beneficial effects owing to interfacial N v sites are the most pronounced when BE N is either too strong or too weak while E TS is high; otherwise, excessive N v sites may hinder catalyst performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

ARENA: Asynchronous Reconfigurable Accelerator Ring to Enable Data-Centric Parallel Computing

The next generation HPC and data centers are likely to be reconfigurable and data-centric due to the trend of hardware specialization and the emergence of data-driven applications. In this work, we propose ARENA – an asynchronous reconfigurable accelerator ring architecture as a potential scenario on how the future HPC and data centers will be like. Despite using the coarse-grained reconfigurable arrays (CGRAs) as the substrate platform, our key contribution is not only the CGRA-cluster design itself, but also the ensemble of a new architecture and programming model that enables asynchronous tasking across a cluster of reconfigurable nodes, so as to bring specialized computation to the data rather than the reverse. We presume distributed data storage without asserting any prior knowledge on the data distribution. Hardware specialization occurs at runtime when a task finds the majority of data it requires are available at the present node. In other words, we dynamically generate specialized CGRA accelerators where the data reside. The asynchronous tasking for bringing computation to data is achieved by circulating the task token, which describes the dataflow graphs to be executed for a task, among the CGRA cluster connected by a fast ring network. Evaluations on a set of HPC and data-driven applications across different domains show that ARENA can provide better parallel scalability with reduced data movement (53.9 percent). Compared with contemporary compute-centric parallel models, ARENA can bring on average 4.37× speedup. The synthesized CGRAs and their task-dispatchers only occupy 2.93mm 2 chip area under 45nm process technology and can run at 800MHz with on average 759.8mW power consumption. ARENA also supports the concurrent execution of multi-applications, offering ideal architectural support for future high-performance parallel computing and data analytics systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

The star cluster system in the Local Group starburst galaxy IC 10

We present a survey of star clusters in the halo of IC 10, a starburst galaxy in the Local Group, based on Subaru R-band images and NOAO Local Group Survey UBVRI images. We find five new star clusters. All of these star clusters are located far from the center of IC 10, while previously known star clusters are mostly located in the main body. Interestingly, the distribution of these star clusters shows an asymmetrical structure elongated along the east and southwest directions. We derive UBVRI photometry of 66 star clusters, including these new star clusters, as well as previously known star clusters. Ages of the star clusters are estimated from a comparison of their UBVRI spectral energy distribution with the simple stellar population models. We find that the star clusters in the halo are all older than 1 Gyr, while those in the main body have various ages, from very young (several Myr) to old (>1 Gyr). The young clusters (<10 Myr) are mostly located in the Hα emission regions and are concentrated on a small region at 2{sup ′′} in the southeast direction from the galaxy center, while the old clusters are distributed in a wider area than the disk. Intermediate-age clusters (∼100 Myr) are found in two groups. One is close to the location of the young clusters and the other is at ∼4{sup ′′} from the location of the young clusters. The latter may be related to past mergers or tidal interaction.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Density jumps near the virial radius of galaxy clusters

Recent simulations have indicated that the dark matter halos of galaxy clusters should feature steep density jumps near the virial radius. Since the member galaxies are expected to follow similar collisionless dynamics as the dark matter, the galaxy density profile should show such a feature as well. We examine the potential of current data sets to test this prediction by selecting cluster members for a sample of 56 low-redshift (0.1<z<0.3) galaxy clusters, constructing their projected number density profiles, and fitting them with two profiles, one with a steep density jump and one without. Additionally, we investigate the presence of a jump using a non-parametric spline approach. We find that some of these clusters show strong evidence for a model with a density jump, with the strength of the signal increasing with the inclusion of spectroscopic cluster member identification. We discuss avenues for further analysis of the density jump with future data sets, particularly with the inclusion of additional spectroscopy of cluster outskirts.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2000

Modeling of HiPco Process for Carbon Nanotube Production

High-pressure carbon monoxide (HiPco) reactor, developed at Rice University, is used to produce single-walled carbon nanotubes (SWNT) from gas-phase reactions of iron carbonyl and nickel carbonyl in carbon monoxide at high pressures (10 - 100 atm). Computational modeling is used to better understand the HiPco process. In the present model, decomposition of the precursor, metal cluster formation and growth, and carbon nanotube growth are addressed. Decomposition of precursor molecules is necessary to initiate metal cluster formation. The metal clusters serve as catalysts for carbon nanotube growth. Diameter of metal clusters and number of atoms in these clusters are some of the essential information for predicting carbon nanotube formation and growth, which is then modeled by Boudouard reaction (2CO ---> C(s) + CO2) with metal catalysts. The growth kinetic model is integrated with a two-dimensional axisymmetric reactor flow model to predict reactor performance.

Gokcen, T.↗
NASA NTRSDate not supplied

A Sample/Jitter Monte Carlo Technique for Main Parachute Loads Predictions

Models for Orion parachute performance are based on reconstructions of the Capsule Parachute Assembly System (CPAS) drop test campaign and were documented in the CPAS “Model Memo.” Experience with similar Commercial Crew Program (CCP) parachute systems resulted in some updates to the Orion models in preparation for Artemis missions. The reefing cutter dispersion model for the drogues and mains had been overly-conservative by producing wide timing differences within clusters. A higher-fidelity timing model was generated by separating out in-lot variation and temperature effects. The main parachute inflation model had accounted for some correlations between parameters using complicated 2-D geometric bounding, but the results tended to exaggerate individual peak loads from fast (leading) inflations and under-emphasize actual lagging experience. Several flight tests were reconstructed again with an emphasis on matching peak load magnitudes using a search algorithm. A simpler method for generating inflation parameters uses the 3-D correlated reconstructed “samples” with some random “jitter” applied. Dispersed Monte Carlo inputs are then checked against flight test data to evaluate whether they represent reality.

parachutes↗
DOE OSTI2015

Highly fluorescent silver nanoclusters in alumina-silica composite optical fiber

An efficient visible fluorescent optical fiber embedded with silver nanoclusters (Ag-NCs) having size ∼1 nm, uniformly distributed in alumina-silica composite core glass, is reported. Fibers are fabricated in a repetitive controlled way through modified chemical vapour deposition process associated with solution doping technique. Fibers are drawn from the transparent preforms by conventional fiber drawing process. Structural characteristics of the doped fibers are studied using transmission electron microscopy and electron probe micro analysis. The oxidation state of Ag within Ag-NCs is investigated by X-ray photo electron spectroscopy. The observed significant fluorescence of the metal clusters in fabricated fibers is correlated with electronic model. The experimentally observed size dependent absorption of the metal clusters in fabricated fibers is explained with the help of reported results calculated by ab-initio density functional theory. These optical fibers may open up an opportunity of realizing tunable wavelength fiber laser without the help of rare earth elements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1980

SAS 3 and related observations of Abell 2029

X-ray and radio observations of the cluster of galaxies show that the central cD galaxy dominates the emissions. Resolution of the X-ray source shows that its extent is significantly greater than that of the profile of surface brightness of the cD galaxy. Dressler's model of most of the cluster mass with very high M/L(v) is similarly extended. The optically dark mass may provide low-energy X-ray emission of the coronae of 5 x 10 to the 16th stars with very high M/L(v), but in the 2-10 keV range the data are consistent with current theoretical predictions for hot intracluster gas.

Johnson, H. M.↗