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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A Comparison of Reduced Order Modeling Techniques Used in Dynamic Substructuring [PowerPoint]

Experimental dynamic substructuring is a means whereby a mathematical model for a substructure can be obtained experimentally and then coupled to a model for the rest of the assembly to predict the response. Recently, various methods have been proposed that use a transmission simulator to overcome sensitivity to measurement errors and to exercise the interface between the substructures; including the Craig-Bampton, Dual Craig-Bampton, and Craig-Mayes methods. This work compares the advantages and disadvantages of these reduced order modeling strategies for two dynamic substructuring problems. The methods are first used on an analytical beam model to validate the methodologies. Then they are used to obtain an experimental model for structure consisting of a cylinder with several components inside connected to the outside case by foam with uncertain properties. This represents an exceedingly difficult structure to model and so experimental substructuring could be an attractive way to obtain a model of the system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2011

Measurement of dijet production with a veto on additional central jet activity in pp collisions at $ \sqrt {s} = 7 $ TeV using the ATLAS detector

A measurement of jet activity in the rapidity interval bounded by a dijet system is presented. Events are vetoed if a jet with transverse momentum greater than 20 GeV is found between the two boundary jets. The fraction of dijet events that survive the jet veto is presented for boundary jets that are separated by up to six units of rapidity and with mean transverse momentum 50 < p¯ T < 500 GeV. The mean multiplicity of jets above the veto scale in the rapidity interval bounded by the dijet system is also presented as an alternative method for quantifying perturbative QCD emission. The data are compared to a next-to-leading order plus parton shower prediction from the powheg-box, an all-order resummation using the hej calculation and the pythia, herwig++ and alpgen event generators. In conclusion, the measurement was performed using pp collisions at √s = 7 TeV using data recorded by the ATLAS detector in 2010.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Balancing global water availability and use at basin scale in an integrated assessment model

Water is essential for the world’s food supply, for energy production, including bioenergy and hydroelectric power, and for power system cooling. Water is already scarce in many regions of the world and could present a critical constraint as society attempts simultaneously to mitigate climate forcing and adapt to climate change, and to provide for a larger and more prosperous human population. Numerous studies have pointed to growing pressures on the world’s scarce fresh water resources from population and economic growth, and climate change. This study goes further. We use the Global Change Assessment Model to analyze interactions between population, economic growth, energy, land and water resources simultaneously in a dynamically evolving system where competing claims on water resources from all claimants—energy, land, and economy—are reconciled with water resource availability—from renewable water, non-renewable groundwater sources and desalinated water—across 14 geopolitical regions, 151 agriculture-ecological zones, and 235 major river basins. We find that previous estimates of global water withdrawal projections are overestimated. Model simulations show that it is more economical in some basins to alter agricultural and energy activities rather than utilize non-renewable groundwater or desalinated water. This study highlights the importance of accounting for water as a binding factor in agriculture, energy and land use decisions in IAMs and implications for global responses to water scarcity, particularly in the trade of agricultural commodities and land-use decisions.

basin↗
DOE OSTI2016

Simulation of Subsurface Multiphase Contaminant Extraction Using a Bioslurping Well Model

Subsurface simulation of multiphase extraction from wells is notoriously difficult. Explicit representation of well geometry requires small grid resolution, potentially leading to large computational demands. To reduce the problem dimensionality, multiphase extraction is mostly modeled using vertically-averaged approaches. In this paper, a multiphase well model approach is presented as an alternative to simplify the application. The well model, a multiphase extension of the classic Peaceman model, has been implemented in the STOMP simulator. The numerical solution approach accounts for local conditions and gradients in the exchange of fluids between the well and the aquifer. Advantages of this well model implementation include the option to simulate the effects of well characteristics and operation. Simulations were conducted investigating the effects of extraction location, applied vacuum pressure, and a number of hydraulic properties. The obtained results were all consistent and logical. A major outcome of the test simulations is that, in contrast with common recommendations to extract from either the gas-NAPL or the NAPL-aqueous phase interface, the optimum extraction location should be in between these two levels. Further, the new model implementation was also used to simulate extraction at a field site in Brazil. The simulation shows a good match with the field data, suggesting that the new STOMP well module may correctly represent oil removal. The field simulations depend on the quality of the site conceptual model, including the porous media and contaminant properties and the boundary and extraction conditions adopted. The new module may potentially be used to design field applications and analyze extraction data.

42 ENGINEERING↗
DOE OSTI2018

Towards High-Resolution Tissue Imaging Using Nanospray Desorption Electrospray Ionization Mass Spectrometry Coupled to Shear Force Microscopy

Constant mode ambient mass spectrometry imaging (MSI) of tissue sections with high lateral resolution of better than 10 μm was performed by combining shear force microscopy with nanospray desorption electrospray ionization (nano-DESI). Shear force microscopy enabled precise control of the distance between the sample and nano-DESI probe during MSI experiments and provided information on sample topography. Proof-of-concept experiments were performed using lung and brain tissue sections representing spongy and dense tissues, respectively. Topography images obtained using shear force microscopy were comparable to the results obtained using contact profilometry over the same region of the tissue section. Variations in tissue height were found to be dependent on the tissue type and were in the range of 0–5 μm for lung tissue and 0–3 μm for brain tissue sections. Ion images of phospholipids obtained in this study are in good agreement with literature data. Normalization of nano-DESI MSI images to the signal of the internal standard added to the extraction solvent allowed us to construct high-resolution ion images free of matrix effects. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Hydroxamate column-based purification of zirconium-89 (89Zr) using an automated fluidic platform

Zirconium-89 (89Zr) is a long-lived (t1/2 = 78.4 h) positron-emitting isotope that is useful for positron emission tomography (PET) based diagnostic imaging using radiolabeled antibodies. Hydroxamate resin columns are predominantly used for the purification of 89Zr from cyclotron bombarded natY targets dissolved in strong HCl. 89Zr is conventionally eluted from the resin in 1 M oxalic acid (H2C2O4), a complexant that is conducive to follow-on binding of 89Zr through a transchelation process to the deferoxamine siderophore. In the present study, we determined that a lower concentration of H2C2O4 eluent (0.8 M) is adequate to efficiently remove 89Zr from a column containing 100 mg hydroxamate resin. As a result, less buffering agents are needed to be added to the 89Zr product fraction prior to labeling. A simple automated fluidic system prototype has been developed to perform the steps required for 89Zr purification using a hydroxamate resin column (column conditioning in HCl, Y target dissolution, dissolved target solution load onto column, column washes using HCl and water, and 89Zr elution). The system performance was evaluated using several cyclotron bombarded Y targets; 89Zr product fractions demonstrated excellent chemical recoveries from these targets, with 1.0 mL product volumes yielding 89±2% of the column elution peak activity and 84±2% of 89Zr recovered from the target (at EOB). These results compare favorably with previously published 89Zr product volumes and yields, despite the lower concentration of H2C2O4 eluent employed. Transchelation of resulting 89Zr product fractions was performed to assess product quality. The effective specific activity (ESA) ranged between 44(7) and 109(22) TBq·mmole-1, while the bindable metals concentration, a metric introduced for assessing and comparing product purity, ranged between 43(7) and 115(27) nmole·g-1.

zirconium-89, 89Zr, ImmunoPET, medical isotope, au↗
DOE OSTI2021

Enhanced Data Efficiency Using Deep Neural Networks and Gaussian Processes for Aerodynamic Design Optimization

Adjoint-based optimization methods are attractive for aerodynamic shape design primarily due to their computational costs being independent of the dimensionality of the input space and their ability to generate high-fidelity gradients that can then be used in a gradient-based optimizer. This makes them very well suited for high-fidelity simulation based aerodynamic shape optimization of highly parametrized geometries such as aircraft wings. However, the development of adjoint-based solvers involve careful mathematical treatment and their implementation require detailed software development. Furthermore, they can become prohibitively expensive when multiple optimization problems are being solved, each requiring multiple restarts to circumvent local optima. In this work, we propose a machine learning enabled, surrogate-based framework that replaces the expensive adjoint solver, without compromising on predicting predictive accuracy. Specifically, we first train a deep neural network (DNN) from training data generated from evaluating the high-fidelity simulation model on a model-agnostic design of experiments on the geometry shape parameters. The optimum shape may then be computed by using a gradient-based optimizer coupled with the trained DNN. Subsequently, we also perform a gradient-free Bayesian optimization, where the trained DNN is used as the prior mean. We observe that the latter framework (DNN-BO) improves upon the DNN-only based optimization strategy for the same computational cost. Overall, this framework predicts the true optimum with very high accuracy, while requiring far fewer high-fidelity function calls compared to the adjoint-based method. Furthermore, we show that multiple optimization problems can be solved with the same machine learning model with high accuracy, to amortize the offline costs associated with constructing our models. Our methodology finds applications in the early stages of aerospace design. (C) 2021 Published by Elsevier Masson SAS.

Renganathan, S. Ashwin↗
DOE OSTI2017

A new fluorescence-based method to monitor the pH in the thylakoid lumen using GFP variants

The ΔpH-dependent/Tat pathway is unique for using only the proton motive force for driving proteins transport across the thylakoid membrane in chloroplasts. 9-aminoacridine fluorescence quenching is widely used to monitor the ΔpH developed across the thylakoid membrane in the light. However, this method suffers from limited sensitivity to low ΔpH values and to spurious fluorescence signals due to membrane binding. In order to develop a more sensitive method for monitoring the real pH of the thylakoid lumen without these problems we transformed Arabidopsis thaliana with a ratiometric pH-sensitive GFP variant (termed pHluorin) targeted to the lumen by the prOE17 transit peptide. Positive transgenic plants displayed localization of pHluorin in the chloroplast by confocal microscopy, and fractionation experiments revealed that it is in the lumen. The pHluorin signal was the strongest in very young plants and diminished as the plants matured. The pHluorin released from the lumen displayed the expected fluorescence intensity changes in response to pH titration. The fluorescence signal in isolated chloroplasts responded to illumination in a manner consistent with light-dependent lumen acidification. Future experiments will exploit the use of this new pH-indicating probe of the thylakoid lumen to examine the influence of the thylakoid ΔpH on ATP synthesis and protein transport.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

Use of CaO as an activator for producing a price-competitive non-cement structural binder using ground granulated blast furnace slag

The use of calcium oxide (CaO) demonstrates a superior potential for the activation of ground granulated blast furnace slag (GGBFS), and it produces a higher mechanical strength than calcium hydroxide [Ca(OH){sub 2}]. The mechanical strength differences between CaO- and Ca(OH){sub 2}-activated GGBFS binders are explored using isothermal calorimetry, powder X-ray diffraction, thermogravimetric and differential thermal analysis (TGA and DTA) as well as compressive strength testing. Calcium silicate hydrate (C–S–H), Ca(OH){sub 2} and a hydrotalcite-like phase are found as reaction products in all samples. The TGA and DTA results indicate that the use of CaO produces more C–S–H, although this is not likely to be the primary cause of higher strength development in the CaO-activated GGBFS. Rather, other factors such as porosity may govern the strength at a higher order of magnitude. Significant reduction of Ca(OH){sub 2} occurs only with the use of Ca(OH){sub 2}, followed by the formation of carbonate (CaCO{sub 3}), indicating carbonation. -- Highlights: •CaO showed a better potential for the activation of GGBFS than Ca(OH){sub 2}. •Strength test, XRD, TGA/DTA and isothermal calorimetry are used. •C-S-H, Ca(OH){sub 2}, and a hydrotalcite-like phase are found in all samples. •The use of Ca(OH){sub 2} causes some degree of carbonation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Tandem column isolation of zirconium-89 from cyclotron bombarded yttrium targets using an automated fluidic platform: Anion exchange to hydroxamate resin columns

The development of a tandem column purification method for the production of high-purity 89Zr is presented. The primary column was a macroporous strongly basic anion exchange resin on styrene divinylbenzene co-polymer. The secondary column, with an internal volume of ~27 µL, was packed with hydroxamate resin. A condition of inverted selectivity was developed, whereby the 89Zr eluent from the primary column is synonymous with the load condition on the secondary column. The ability to transfer 89Zr from one column to the next allows two sequential column clean-up methods to be performed prior to the final elution of the 89Zr. This approach assures delivery of high purity 89Zr product and assures a 89Zr product that is eluted in a substantially smaller volume than is possible when using the traditionally-employed single hydroxamate resin column method. The tandem column purification process has been implemented into a prototype automated fluidic system. The system is configured with on-line gamma detection so column effluents can be monitored in near-real time. The automated method was tested using seven cyclotron bombarded Y foil targets. It was found that 95.1±1.3% of the 89Zr present in the foils was recovered in the secondary column elution fraction. Furthermore, elution peak analysis of several 89Zr elution profile radiochromatograms made possible the determination of 89Zr recovery as a function of volume; a 89Zr product volume that contains 90% of the mean secondary column elution peak can be obtained in 0.29±0.06 mL (representing 86±5% of the 89Zr activity in the target). This product volume represents a significant increase in isotope product concentration over the predominant method used in the field. In addition to the reduced 89Zr product elution volume, titrations of the 89Zr product with deferoxamine mesylate salt across two preparatory methods resulted in mean effective specific activity (ESA) values of 279 and 340 TBq·mmole-1 and mean bindable metals concentrations ([MB]) of 13.5 and 16.7 nmole·g-1. These ESA and [MB] values infer that the 89Zr product resulting from this tandem column isolation method has the highest purity reported to date.

immunoPET, zirconium-89, laboratory automation, de↗
DOE OSTI2019

Manipulation of mass transport rates using bead-in-a-tube method

In ultralow Pu analyses, the gold standard is thermal ionization mass spectrometry (TIMS), which requires pure sources to achieve its performance. This purity is achieved through step-wise purifications. In this work single anion-exchange beads were trapped in tubing to allow for dynamic solution cycling over the surface of the beads to improve the rates of metal complex uptake. Rates of Pu sorption on single ~900 µm SIR-1200 and ~620 µm Reillex-HPQ beads were determined for single beads trapped in a tube with syringe pump driven dynamic solution cycling over the bead, improving sorption and desorption rates. A static control was used as a comparison. Using 238Pu to enable facile activity-based measurements, rates were determined by measuring the residual Pu after contact with beads using liquid scintillation analysis (LSA) for fixed periods of time. Syringe pump driven dynamic solution cycling results in ~5 and ~15-fold improvements in the sorption rates for SIR-1200 and Reillex-HPQ. Impacts on desorption were also examined.

Bead-in-a-tube, Mass Transport Rates↗
DOE OSTI2018

A Methodology and Implementation of Automated Emissions Harmonization for Use in Integrated Assessment Models

Emissions harmonization refers to the process used to match greenhouse gas (GHG) and air pollutant results from Integrated Assessment Models (IAMs) against a common source of historical emissions. To date, harmonization has been performed separately by individual modeling teams. For the hand-over of emission data for the Shared Socio-economic Pathways (SSPs) to climate model groups, a new automated approach based on commonly agreed upon algorithms was developed. This work describes the novel methodology for determining such harmonization methods and an open-source Python software library implementing the methodology. Results are shown for two example scenarios (with and without climate policy cases) using the MESSAGE-GLOBIOM IAM that satisfactorily harmonize over 96% of the total emissions trajectories while having a negligible eect on key long-term climate indicators. This new capability enhances the comparability across dierent models, increases transparency and robustness of results, and allows other teams to easily participate in intercomparison exercises by using the same, openly available harmonization mechanism.

intergrated assessment, climate change, Harmonizat↗
DOE OSTI2020

Distribution System Segmented Model Simplification with Independent Dynamically Changing End-Use Loads

With more emerging technologies in power distribution systems, to support quasi-static time-series (QSTS) simulation over short time frames, accurately modeling the dynamic behavior of end-use load under various conditions is im- portant. However, time and cost can be a burden for the QSTS simulation of thousands of houses representing dynamic load behaviors on large distribution feeders. There are two main contributions of this paper in order to reduce the QSTS simulation complexity. First, the paper presents a method to stochasti- cally model the dynamic behavior of end-use load for QSTS simulations. Second, using the stochastically modeled load behavior as an input to a distribution sys- tem, and building on our previous QSTS simulation simplification/acceleration method that relies on uniform load behavior, this paper presents a segment substitution approach for the simplification of distribution system models with independent dynamically changing end-use loads. Our numerical results show that compared to GridLAB-D, a software tool that simulates end-use load be- havior through physical models, the proposed stochastic modeling approach achieved an 89.3% simulation time reduction for end-use loads, while accurately capturing the temporally changing total load behavior. Moreover, the QSTS simulation of a large test distribution system through OpenDSS showed that the proposed simplification method decreased the feeder simulation time by a factor of three at less than 0.3% voltage error. Compared to our previous method with independent dynamic loads, the voltage error is reduced by a factor of four.

Power distribution system modeling, stochastic pro↗
DOE OSTI2018

Advance reservation access control using software-defined networking and tokens

Advance reservation systems allow users to reserve dedicated bandwidth connection resources from advanced high-speed networks. A common use case for such systems is data transfers in distributed science environments in which a user wants exclusive access to the reservation. However, current advance network reservation methods cannot ensure exclusive access of a network reservation to the specific flow for which the user made the reservation. We present here a novel network architecture that addresses this limitation and ensures that a reservation is used only by the intended flow. We achieve this by leveraging software-defined networking (SDN) and token-based authorization. We use SDN to orchestrate and automate the reservation of networking resources, end-to-end and across multiple administrative domains, and tokens to create a strong binding between the user or application that requested the reservation and the flows provisioned by SDN. We conducted experiments on the ESNet 100G SDN testbed, and demonstrated that our system effectively protects authorized flows from competing traffic in the network.

admission control↗
DOE OSTI2022

Analysis of water–energy nexus and trends in support of the sustainable development goals: A study using longitudinal water–energy use data

Water and energy are two critical natural resources necessary for human activities and socioeconomic development. Water and energy systems are highly interdependent, and water efficiency and energy efficiency are two related indicators for the United Nations' Sustainable Development Goals. It is critical to improve energy–water use efficiency to sustain socioeconomic development while reducing adverse effects on natural resources, society and the environment. By using longitudinal energy–water use data for China over the past 21 years, this paper develops a temporo-spatial study to address key issues and introduce analytical approaches needed to understand the water–energy nexus and support integrated resource planning and management to achieve the Sustainable Development Goals. Decomposition analysis indicates that the production effect was the dominating factor contributing the increase in the country's energy–water use, while energy–water efficiency is the major factor slowing the growth of the country's energy–water use. Changes and trends analyses show that the country's energy intensity, water intensity, and water/energy ratio significantly decreased from 1999 to 2019, but the rate of decline has slowed. The disparities of the country's provincial energy intensities, water intensities, and water/energy ratios significantly decreased with economic growth. Results suggest that improving energy–water efficiency is critical for the country to curb increasing energy and water use and achieve resource and environmental protection targets with rapid economic development. Furthermore, the disparities between regional energy-water efficiencies can be reduced along with economic growth, while an overheated economy can widen the disparities and result in unsustainable and inefficient utilization of resources. Government coordination, targets and policy as part of the efficiency governance system are critical for continuous energy–water efficiency improvement and directly influence the implementation and effectiveness of energy–water efficiency policy.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2017

Error correction in multi-fidelity molecular dynamics simulations using functional uncertainty quantification

We use functional, Fréchet, derivatives to quantify how thermodynamic outputs of a molecular dynamics (MD) simulation depend on the potential used to compute atomic interactions. Our approach quantifies the sensitivity of the quantities of interest with respect to the input functions as opposed to its parameters as is done in typical uncertainty quantification methods. We show that the functional sensitivity of the average potential energy and pressure in isothermal, isochoric MD simulations using Lennard–Jones two-body interactions can be used to accurately predict those properties for other interatomic potentials (with different functional forms) without re-running the simulations. This is demonstrated under three different thermodynamic conditions, namely a crystal at room temperature, a liquid at ambient pressure, and a high pressure liquid. The method provides accurate predictions as long as the change in potential can be reasonably described to first order and does not significantly affect the region in phase space explored by the simulation. The functional uncertainty quantification approach can be used to estimate the uncertainties associated with constitutive models used in the simulation and to correct predictions if a more accurate representation becomes available.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

237 Np analytical method using 239 Np tracers and application to a contaminated nuclear disposal facility

Environmental 237Np analyses are challenged by low 237Np concentrations and lack of an available yield tracer; we report a rapid, inexpensive 237Np analytical approach employing the short lived 239Np (t1/2 = 2.3 days) as a chemical yield tracer followed by 237Np quantification using inductively coupled plasma-mass spectrometry. 239Np tracer is obtained via separation from a 243Am stock solution and standardized using gamma spectrometry immediately prior to sample processing. Rapid digestions using a commercial, 900 watt “Walmart” microwave and Parr microwave vessels result in 99.8 ± 0.1% digestion yields, while chromatographic separations enable Np/U separation factors on the order of 106 and total Np yields of 95 ± 4% (2σ). Application of this method to legacy soil samples surrounding a radioactive disposal facility (the Subsurface Disposal Area at Idaho National Laboratory) reveal the presence of low level 237Np contamination within 600 meters of this site, with maximum 237Np concentrations on the order of 103 times greater than nuclear weapons testing fallout levels.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2012

Cascade annealing simulations of bcc iron using object kinetic Monte Carlo

Simulations of displacement cascade annealing were carried out using object kinetic Monte Carlo based on an extensive MD database including various primary knock-on atom energies and directions. The sensitivity of the results to a broad range of material and model parameters was examined. The diffusion mechanism of interstitial clusters has been identified to have the most significant impact on the fraction of stable interstitials that escape the cascade region. The maximum level of recombination was observed for the limiting case in which all interstitial clusters exhibit 3D random walk diffusion. The OKMC model was parameterized using two alternative sets of defect migration and binding energies, one from ab initio calculations and the second from an empirical potential. The two sets of data predict essentially the same fraction of surviving defects but different times associated with the defect escape processes. This study provides a comprehensive picture of the first phase of long-term defect evolution in bcc iron and generates information that can be used as input data for mean field rate theory (MFRT) to predict the microstructure evolution of materials under irradiation. In addition, the limitations of the current OKMC model are discussed and a potential way to overcome these limitations is outlined.

36 MATERIALS SCIENCE↗