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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 145 records · Page 8

Crystal-growth-dominated fabrication of metal-organic frameworks with orderly distributed hierarchical porosity

Constructing architectures with hierarchical porosity has been widely considered as the most efficient way to bypass the problems related to slow mass transfer and inaccessibility of internal space in MOFs. Now, a crystal-growth-dominated strategy is proposed to fabricate hierarchically porous MOFs (HP-MOFs). When the crystal growth is dominated by the monomer attachment, the aggregation of nonionic surfactant or polymer can be easily captured and released during the crystal growth process, resulting in the formation and ordering hierarchical pores along the radial direction. Furthermore, owing to the accelerated mass diffusion and more exposed active sites of this design, HP-MOFs exhibited an enhanced catalytic efficiency in styrene oxidation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Iterative Importance Sampling Algorithms for Parameter Estimation

In parameter estimation problems one computes a posterior distribution over uncertain parameters defined jointly by a prior distribution, a model, and noisy data. Markov chain Monte Carlo (MCMC) is often used for the numerical solution of such problems. An alternative to MCMC is importance sampling, which can exhibit near perfect scaling with the number of cores on high performance computing systems because samples are drawn independently. However, finding a suitable proposal distribution is a challenging task. Several sampling algorithms have been proposed over the past years that take an iterative approach to constructing a proposal distribution. We investigate the applicability of such algorithms by applying them to two realistic and challenging test problems, one in subsurface flow, and one in combustion modeling. More specifically, we implement importance sampling algorithms that iterate over the mean and covariance matrix of Gaussian or multivariate t-proposal distributions. Our implementation leverages massively parallel computers, and we present strategies to initialize the iterations using “coarse” MCMC runs or Gaussian mixture models.

97 MATHEMATICS AND COMPUTING↗

MHD wave breaking in the outer plasmasphere

Empirical models of the average magnetospheric magnetic field, plasma density, and temperature distributions are used to construct a model of the distribution of MHD wave mode speeds within the magnetosphere. A persistent feature of the derived optical structure is a pronounced minimum of the wave speeds in the outer plasmasphere, i.e., a magnetospheric 'shoal'. This feature does not map along magnetic field lines, but is confined to the equatorial region, leading to a positive radial gradient of wave speeds near synchronous orbit. The breaking of earthward propagating disturbances in this region may play an essential role in the formation of the substorm injection boundary and in the creation of equatorially trapped warm ion distributions.

Moore, T. E.↗

An XML-Based Protocol for Distributed Event Services

A recent trend in distributed computing is the construction of high-performance distributed systems called computational grids. One difficulty we have encountered is that there is no standard format for the representation of performance information and no standard protocol for transmitting this information. This limits the types of performance analysis that can be undertaken in complex distributed systems. To address this problem, we present an XML-based protocol for transmitting performance events in distributed systems and evaluate the performance of this protocol.

Smith, Warren↗

Fresh look at the nuclear transparency using the generalized parton distributions

Color transparency (CT) is a fundamental phenomenon in QCD in which hadrons produced in high-energy exclusive processes traverse nuclear matter with minimal interactions. Nuclear transparency, which quantifies this attenuation suppression, is a quantity with high sensitivity to CT effects and provides critical insights into QCD dynamics in nuclear environments. In this study, we revisit nuclear transparency using the framework of generalized parton distributions (GPDs). By constructing nuclear GPDs (nGPDs) through the incorporation of nuclear parton distribution functions, we calculate the nuclear transparency 𝑇⁡(𝑄 2 ) for the carbon nucleus as a function of momentum transfer 𝑄 2 considering various definitions and compare the results obtained with available experimental data. Our finding highlights the importance of choosing a physically motivated definition of nuclear transparency. Moreover, we emphasize that a more reliable determination of nGPDs requires a dedicated global analysis incorporating nuclear data. Such an approach is essential for improving the theoretical understanding of CT and for achieving consistency with experimental observations in the high-𝑄 2 regime.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Resource Occurrence and Productivity in Existing and Proposed Wind Energy Lease Areas on the Northeast US Shelf

States in the Northeast United States have the ambitious goal of producing more than 22 GW of offshore wind energy in the coming decades. The infrastructure associated with offshore wind energy development is expected to modify marine habitats and potentially alter the ecosystem services. Species distribution models were constructed for a group of fish and macroinvertebrate taxa resident in the Northeast US Continental Shelf marine ecosystem. These models were analyzed to provide baseline context for impact assessment of lease areas in the Middle Atlantic Bight designated for renewable wind energy installations. Using random forest machine learning, models based on occurrence and biomass were constructed for 93 species providing seasonal depictions of their habitat distributions. We developed a scoring index to characterize lease area habitat use for each species. Subsequently, groups of species were identified that reflect varying levels of lease area habitat use ranging across high, moderate, low, and no reliance on the lease area habitats. Among the species with high to moderate reliance were black sea bass ( Centropristis striata ), summer flounder ( Paralichthys dentatus ), and Atlantic menhaden ( Brevoortia tyrannus ), which are important fisheries species in the region. Potential for impact was characterized by the number of species with habitat dependencies associated with lease areas and these varied with a number of continuous gradients. Habitats that support high biomass were distributed more to the northeast, while high occupancy habitats appeared to be further from the coast. There was no obvious effect of the size of the lease area on the importance of associated habitats. Model results indicated that physical drivers and lower trophic level indicators might strongly control the habitat distribution of ecologically and commercially important species in the wind lease areas. Therefore, physical and biological oceanography on the continental shelf proximate to wind energy infrastructure development should be monitored for changes in water column structure and the productivity of phytoplankton and zooplankton and the effects of these changes on the trophic system.

17 WIND ENERGY↗

Large capacitor performs as a distributed parameter pulse line

Capacitor of extended foil construction performs as a distributed parameter pulse line in which current, amplitude, and period are readily controlled. The capacitor is used as the energy storage element in a pulsed plasma accelerator.

Gooding, T. J.↗

Creating Novel Gas Separation Constructs by Manipulating Free-Volume Distributions in Polymer-Grafted Nanoparticles

Polymer membranes are critical to many sustainability applications that require gas separation primarily based on differences in the sizes of the constituent molecules (“sieving”). The important figures of merit in this context are the rate at which the gas permeates through the membrane (or flux) and the resulting gas purity (as characterized by its selectivity). The overall goal is to maximize both gas permeability and selectivity. Currently, the ability to a priori design polymeric materials (either pure polymers or mixed matrix membranes where polymers are mixed with inorganic nanoparticles) with required permeability and selectivity remains an open challenge.

03 NATURAL GAS↗

Creating Novel Gas Separation Constructs by Manipulating Free-Volume Distributions in Polymer-Grafted Nanoparticles

Polymer membranes are critical to sustainability applications, and in this work we focused on one key application, the efficient separation of gas mixtures. Despite their widespread use, important challenges remain in the use of polymer membranes in this context – i.e., finding membrane materials with selectively improved transport of the desired mixture component(s) while possessing enhanced strength and improved aging behavior relative to the best current benchmarks. The important separation figures of merit are the gas flux, which is proportional to the permeability, P i = D i × S i (Di is the gas diffusivity and S i its solubility coefficient) and selectivity (i.e., gas purity,α ij = P i /P j ). The goal is to simultaneously maximize P i and α ij . Most research to date has empirically targeted the development of new glassy polymers with improved separation performance. These include thermally rearranged (TR) polymers and polymers of intrinsic microporosity (PIMs).

36 MATERIALS SCIENCE↗

A synthetic seismicity model for the Middle America Trench

A novel iterative technique, based on the concept of fault segmentation and computed using 2D static dislocation theory, for building models of seismicity and fault interaction which are physically acceptable and geometrically and kinematically correct, is presented. The technique is applied in two steps to seismicity observed at the Middle America Trench. The first constructs generic models which randomly draw segment strengths and lengths from a 2D probability distribution. The second constructs predictive models in which segment lengths and strengths are adjusted to mimic the actual geography and timing of large historical earthquakes. Both types of models reproduce the statistics of seismicity over five units of magnitude and duplicate other aspects including foreshock and aftershock sequences, migration of foci, and the capacity to produce both characteristic and noncharacteristic earthquakes. Over a period of about 150 yr the complex interaction of fault segments and the nonlinear failure conditions conspire to transform an apparently deterministic model into a chaotic one.

Ward, Steven N.↗

Metal accumulation in dragonfly nymphs and crayfish as indicators of constructed wetland effectiveness

Constructed wetland effectiveness is often assessed by measuring reductions of contaminant concentrations in influent versus departing effluent, but this can be complicated by fluctuations in contaminant content/chemistry and hydrology. We assessed effectiveness of a constructed wetland at protecting downstream biota from accumulating elevated metal concentrations—particularly copper and zinc in effluents from a nuclear materials processing facility. Contaminants distributed throughout a constructed wetland system and two reference wetlands were assessed using six dragonfly nymph genera (Anax, Erythemis, Libellula, Pachydiplax, Tramea, and Plathemis) as biomonitors. Additionally, the crayfish, Cambarus latimanus, were analyzed from the receiving and two reference streams. Concentrations of Cu, Zn, Pb, Mn, Cr, Cd, and Al were evaluated in 597 dragonfly nymph and 149 crayfish whole-body composite samples. Dragonfly genera varied substantially in metal accumulation and the ability to identify elevated metal levels throughout components of the constructed wetland. Genera more closely associated with bottom sediments tended to accumulate higher levels of metals with Libellula, Pachydiplax, and Erythemis often accumulating highest concentrations and differing most among sites. This, combined with their abundance and broad distributions make the latter two species suitable candidates as biomonitors for constructed wetlands. As expected, dragonfly nymphs accumulated higher metal concentrations in the constructed wetland than reference sites. However, dragonfly nymphs often accumulated as high of metal concentrations downstream as upstream of the water treatment cells. Moreover, crayfish from the receiving stream near the constructed wetland accumulated substantially higher Cu concentrations than from downstream locations or reference streams. Despite reducing metal concentrations at base flow and maintaining regulatory compliance, metal fluxes from the wetland were sufficient to increase accumulation in downstream biota. Future work should evaluate the causes of downstream accumulation as the next step necessary to develop plans to improve the metal sequestering efficiency of the wetland under variable flow regimes.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

A new method for analyzing and visualizing plasma simulations using a phase-space tessellation

We apply a novel phase-space interpolation technique referred to as the simplex-in-cell (SIC) method to analyze two- and three-dimensional particle-in-cell (PIC) simulations of electromagnetic plasmas. SIC relies on a discretization of the initial phase-space distribution function into simplices, which allows an approximation to the full, continuously defined distribution function to be constructed at any later time in the simulation. This allows densities, currents, and even full momentum distribution functions to be measured at any point in the simulation domain without averaging over control volumes. The SIC approach applies to any PIC simulation for which a tessellation of the initial particle distribution can be constructed. In this study, we use outputs from standard PIC simulations of the Weibel instability and compare physical quantities such as charge and current densities calculated in postprocessing using SIC and standard particle deposits. Using 2D simulations with 1–65 536 particles-per-cell, we find that SIC eliminates discrete particle noise and in some cases can reach a given noise level using ~1000 times fewer simulation particles than with standard particle deposition schemes. In regions of low density, such as between current filaments, SIC is able to capture small amplitude features even with fewer particles than gridpoints due to the deformable nature of the SIC volume elements. Here, by calculating momentum distributions, we show how SIC can capture low density tails in the spectrum using far fewer particles than are necessary for standard particle deposits. We calculate the charge density on spatial grids of increasing resolution to demonstrate the ability of SIC to reveal fine-scale details that are not accessible with standard particle deposits. Finally, we show how SIC can be extended to 3D and give an example of its use to calculate the charge density from 3D PIC simulations of the Weibel instability. These results motivate the future implementation of SIC directly in the simulation force calculation for a novel low-noise electromagnetic plasma simulation method.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Removal, distribution and retention of metals in a constructed wetland over 20 years

The A-01 wetland treatment system (WTS) was designed to remove metals (primarily copper) from the effluent at the A-01 National Pollution Discharge Elimination System (NPDES) outfall at the Savannah River Site, Aiken, SC. This research investigated metal removal, distribution and retention in the A-01 WTS over a period of 20 years. The findings are important for ensuring continued metal sequestration in the A-01 WTSs over time, providing management guidance for constructed wetlands, and investigating changes in metal remediation effectiveness as a wetland ages. During 20 years of operation, systematic water and sediment sampling validated the wetlands' performance. After passage through the treatment cells, Cu concentrations were well below permit limits during all years of operation, often falling below 10 μg L -1 . Cu removal has been consistent over time, averaging about 80% despite large changes in influent Cu concentrations. Most divalent metals were rapidly removed from the water and held in the sediments shortly after the water entered the treatment wetland. Average removal of Pb from water by the wetland system was 67 and 74% in 2004 and 2020, respectively. Comparable values for Zn were 52 and 65%, respectively. Generally, the highest concentrations of Cu, Pb, and Zn were found in the sediment from the first cell in each pair of cells suggesting that most of the Cu, Pb, and Zn in the A-01 effluent was bound to the sediment quickly. Diffusive gradients in thin films (DGT) measurements of Cu and Zn in the sediments were much lower than bulk sediment concentrations. These results suggest that most of the Cu and Zn in the A-01 WTS sediments was not bioavailable, hence not toxic to aquatic organisms, as a likely consequence of adsorption to sediment particles and complexation with organic and inorganic substances.

54 ENVIRONMENTAL SCIENCES↗

The WorkPlace distributed processing environment

Real time control problems require robust, high performance solutions. Distributed computing can offer high performance through parallelism and robustness through redundancy. Unfortunately, implementing distributed systems with these characteristics places a significant burden on the applications programmers. Goddard Code 522 has developed WorkPlace to alleviate this burden. WorkPlace is a small, portable, embeddable network interface which automates message routing, failure detection, and re-configuration in response to failures in distributed systems. This paper describes the design and use of WorkPlace, and its application in the construction of a distributed blackboard system.

Ames, Troy↗

RUMS - Realtime Visualization and Evaluation of Live, Virtual, Constructive Simulation Data

This paper describes the tools and display capabilities being developed to visualize aircraft flight and trajectory information that is produced during a distributed Live, Virtual, Constructive (LVC) simulation events involving a mix of manned and unmanned aircraft. This paper discusses the design approach and general software architecture of the Remote User Monitor Service (RUMS) application. The simulations and flight tests are conducted over a nationwide network with components communicating via software gateways that translate the messages and provide a location to access and collect data. The data collected is not only archived for post-processing and analysis, but also processed in real-time by RUMS, which allows dynamic viewing of the information via a web browser. This real-time dynamic viewing of the data allows test conductors and researchers to monitor the health of the distributed system and of the data being collected not only in situ where tests are conducted but also at remote locations.

distributed simulation↗

Energetic electrons and plasma waves associated with a solar type III radio burst

Detailed in situ observations from the ISEE 3 spacecraft of energetic electrons, plasma waves, and radio emission for the type II solar radio burst of February 17, 1979, are presented. The reduced, one-dimensional electron distribution function is constructed as a function of time. Since the faster electrons arrive before the slower ones, a bump on tail distribution forms which is unstable to the growth of Langmuir waves. The plasma wave growth computed from the distribution function agrees well with the observed onset of the Langmuir waves, and there is qualitative agreement between variations in the plasma wave levels and in the development of regions of positive slope in the function. The evolution of the function, however, predicts far higher plasma wave levels than those observed. The maximum levels observed are approximately equal to the threshold for nonlinear wave processes, such as oscillation two-stream instability and soliton collapse.

Lin, R. P.↗

Two-dimensional leaf orientation distributions

Combined inclination/azimuth leaf angle distributions are important for accurate models of vegetation canopy reflectance. It is shown that appropriate mathematical representations can be constructed from beta distributions under most circumstances. This is illustrated by analyzing observational data on soybean leaves and balsam fir needles. There are some problems when the data is imprecise and when correlations between inclination and azimuth angle are induced by heliotropism. Otherwise, the two-dimensional beta-type distribution appears to be a versatile tool for describing complete inclination/azimuth leaf angle distributions.

Strebel, D. E.↗

Estimating the joint distribution of rate parameters across multiple reactions in the absence of experimental data

Here, a procedure for determining the joint uncertainty of Arrhenius parameters across multiple combustion reactions of interest is demonstrated. This approach is capable of constructing the joint distribution of the Arrhenius parameters arising from the uncertain measurements performed in specific target experiments without having direct access to the underlying experimental data. The method involves constructing an ensemble of hypothetical data sets with summary statistics consistent with the available information reported by the experimentalists, followed by a fitting procedure that learns the structure of the joint parameter density across reactions using this consistent hypothetical data as evidence. The procedure is formalized in a Bayesian statistical framework, employing maximum-entropy and approximate Bayesian computation methods and utilizing efficient Markov chain Monte Carlo techniques to explore data and parameter spaces in a nested algorithm. We demonstrate the application of the method in the context of experiments designed to measure the rates of selected chain reactions in the H 2 -O 2 system and highlight the utility of this approach for revealing the critical correlations between the parameters within a single reaction and across reactions, as well as for maximizing consistency when utilizing rate parameter information in predictive combustion modeling of systems of interest.

97 MATHEMATICS AND COMPUTING↗