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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Improvement actions in waste management systems at the provincial scale based on a life cycle assessment evaluation

Highlights: • LCA was used for evaluating the performance of four provincial waste management systems. • Milano, Bergamo, Pavia and Mantova (Italy) are the provinces selected for the analysis. • Most of the data used to model the systems are primary. • Significant differences were found among the provinces located in the same Region. • LCA was used as a decision-supporting tool by Regione Lombardia. - Abstract: This paper reports some of the findings of the ‘GERLA’ project: GEstione Rifiuti in Lombardia – Analisi del ciclo di vita (Waste management in Lombardia – Life cycle assessment). The project was devoted to support Lombardia Region in the drafting of the new waste management plan by applying a life cycle thinking perspective. The present paper mainly focuses on four Provinces in the Region, which were selected based on their peculiarities. Life cycle assessment (LCA) was adopted as the methodology to assess the current performance of the integrated waste management systems, to discuss strengths and weaknesses of each of them and to design their perspective evolution as of year 2020. Results show that despite a usual business approach that is beneficial to all the provinces, the introduction of technological and management improvements to the system provides in general additional energy and environmental benefits for all four provinces. The same improvements can be easily extended to the whole Region, leading to increased environmental benefits from the waste management sector, in line with the targets set by the European Union for 2020.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

DPD Parameters Estimation for Simultaneously Simulating Water–Oil Interfaces and Aqueous Nonionic Surfactants

The outcome of a coarse-grained simulation within the dissipative particle dynamics framework strongly depends on the choice of the repulsive parameter between different species. Different methodologies have been used in the literature to determine these parameters toward reproducing selected experimental system properties. In this work, a systematic investigation on possible procedures for estimating the simulation parameters is conducted. We compare methods based on the Hildebrand and the Hansen solubility parameter theories, mapped into the Flory–Huggins model. We find that using the Hansen solubility parameters it is possible to achieve a high degree of coarse graining, with parameters that yield realistic values for the interfacial tension. The procedure was first applied to the water/benzene system and then validated for water/n-octane, water/1,1-dichloroethane, water/methyl cyclohexane, and water/isobutyl acetate. In all these cases, the experimental interfacial tension could be reproduced by adjusting a single correction factor. In the case of the water–benzene system, the dissipative particle dynamics parameters derived using our approach were able to simultaneously describe both the interfacial tension and micellar properties of aqueous nonionic surfactants representative of the octyl poly(ethylene oxide) C8H17O(C2H4O)mH family. We show how the parameters can be used, within the dissipative particle dynamics framework, to simulate the water/oil interface in the presence of surfactants at varying concentrations. The results show, as expected, that as the surfactant concentration increases, the interfacial tension decreases, and micelles form in bulk water.

Chemistry↗
DOE OSTI2025

Understanding the Conductivity and Transference Trade-Off in Polymer Electrolytes Using a Robeson-Inspired Upper Bound

The development of high-performance electrolytes is crucial for advancing next-generation lithium and sodium battery technologies. Since the cation is the working ion in both technologies, electrolytes exhibiting the rapid cation transport are essential for making progress. Pathways to optimize electrolytes are unclear due to the inherent trade-off between conductivity and cation transference. While this trade-off is sometimes recognized, there are no well-accepted methodologies for quantifying it. Inspired by the Robeson upper bound for the permeability–selectivity trade-off in gas separation membranes, we propose an approach for quantifying the trade-off in electrolytes using Newman’s concentrated solution theory. We suggest calling this the Newman upper bound. By analyzing published data from 30 polymer electrolytes containing univalent lithium and sodium salts, the Newman upper bound is expressed as κ = 2.0­(1/ρ+ – 1) where κ (mS/cm) is conductivity and ρ+ is the current fraction measured in a symmetric cell as first described by Bruce et al. [J. Electroanal. Chem. Interfacial Electrochem. 1987, 225 (1), 1–17]. This formulation of the upper bound introduces a critical guiding metric for designing next-generation polymer electrolytes; it highlights factors underlying the trade-off, including the salt diffusion coefficient (D), cation transference number relative to solvent velocity ( t + 0 ), and thermodynamic factor (1 + (d lnγ+–)/(d lnm)), where γ+– is the mean molar activity coefficient and m is the molality. These parameters have been measured for very few electrolytes. We posit that establishing the molecular properties that govern these parameters will lead to improved electrolytes that greatly exceed the current upper bound.

He, Zirong↗
DOE OSTI2025

Mechanistic Insights into Molecular Copper Hydride Catalysis: the Kinetic Stability of CuH Monomers toward Aggregation is a Critical Parameter for Catalyst Performance

The activity of molecular copper hydride (CuH) complexes towards the selective insertion of unsaturated hydrocarbons under mild conditions has contributed significantly to versatile methodologies for upgrading these feedstocks. However, these catalysts are particularly susceptible to deleterious aggregation, leading to the depletion of active CuH species. Little is known about the mechanisms of CuH aggregation, how it influences overall catalyst performance, and how it can be controlled. We address these challenges with mechanistic studies on a model reaction of unactivated alkene hydroboration catalyzed by (IPr*CPh 3 )CuH (LCuH). Here, we report a comprehensive mechanistic investigation of this system, identifying an aggregation pathway that continuously depletes catalytically active LCuH to form inactive CuH clusters during turnover. Deactivation of LCuH is controlled primarily by the competition between the kinetics of the initial LCuH dimerization step and that of alkene insertion. We therefore propose that a more comprehensive understanding of CuH catalyst performance must account for the kinetics of the initial LCuH dimerization step, revising a previously explored thermodynamic understanding of CuH aggregation, where the concentration of active species is controlled by equilibria established between CuH dimers and monomers. With a series of (NHC)CuH congeners (NHC = N-heterocyclic carbene), we demonstrate that ostensibly minor structural modifications to the ligand peripheries can drastically affect the LCuH dimerization kinetics, while maintaining reactivity towards on–cycle alkene insertion. We employed a computational approach based on molecular dynamics simulations to provide an in-depth understanding of how specific structural ligand modifications can substantially increase the kinetic stability of monomeric CuH catalysts. Our combined experimental and computational studies suggest strategies for rational ligand design that can be broadly applied to molecular catalyst systems that are susceptible to deactivation via aggregation pathways.

Ryan, David E. [Pacific Northwest National Laborat↗
DOE OSTI2014

Stream-reach Identification for New Run-of-River Hydropower Development through a Merit Matrix Based Geospatial Algorithm

Even after a century of development, the total hydropower potential from undeveloped rivers is still considered to be abundant in the United States. However, unlike evaluating hydropower potential at existing hydropower plants or non-powered dams, locating a feasible new hydropower plant involves many unknowns, and hence the total undeveloped potential is harder to quantify. In light of the rapid development of multiple national geospatial datasets for topography, hydrology, and environmental characteristics, a merit matrix based geospatial algorithm is proposed to help identify possible hydropower stream-reaches for future development. These hydropower stream-reaches sections of natural streams with suitable head, flow, and slope for possible future development are identified and compared using three different scenarios. A case study was conducted in the Alabama-Coosa-Tallapoosa (ACT) and Apalachicola-Chattahoochee-Flint (ACF) hydrologic subregions. It was found that a merit matrix based algorithm, which is based on the product of hydraulic head, annual mean flow, and average channel slope, can help effectively identify stream-reaches with high power density and small surface inundation. The identified stream-reaches can then be efficiently evaluated for their potential environmental impact, land development cost, and other competing water usage in detailed feasibility studies . Given that the selected datasets are available nationally (at least within the conterminous US), the proposed methodology will have wide applicability across the country.

Pasha, M. Fayzul K.↗
DOE OSTI2026

The birth of a field through a marriage of scales: urban meteorological modeling meets regional climate modeling

Urban meteorological modeling and regional climate modeling developed largely independently, with each discipline addressing different aspects of atmospheric processes across space and time. In this review, I show that urban climate modeling did not arise as a simple scaling extension of urban meteorological modeling or an add-on to regional climate modeling, but instead emerged through the selective inheritance of complementary strengths from its parents after both disciplines reached sufficient methodological maturity. By tracing the parallel evolution of these disciplines, I demonstrate that urban climate modeling inherited the physically explicit treatment of the built environment developed within urban meteorological modeling, and the hierarchical scale translation and climatological framing that matured within regional climate modeling, allowing urban effects to influence climate-relevant outcomes. Building on this synthesis, I propose an objective, and methodologically-grounded definition of urban climate modeling that distinguishes it from urban meteorological modeling. This distinction is increasingly important as urban climate data informs decisions with long-lived societal consequences, and as ambiguity in terminology risks conflating fundamentally different modeling frameworks with distinct physical meaning and decision relevance. In addition to a clarifying definition, this review outlines a research framework for advancing urban climate modeling through scale-aware coupling strategies that preserve physically consistent urban-atmosphere interactions.

regional climate↗
DOE OSTI2022

Reekeekee- and roodoodooviruses, two different Microviridae clades constituted by the smallest DNA phages

Small circular single-stranded DNA viruses of the Microviridae family are both prevalent and diverse in all ecosystems. They usually harbor a genome between 4.3 and 6.3 kb, with a microvirus recently isolated from a marine Alphaproteobacteria being the smallest known genome of a DNA phage (4.248 kb). A subfamily, Amoyvirinae, has been proposed to classify this virus and other related small Alphaproteobacteria-infecting phages. Here, we report the discovery, in meta-omics data sets from various aquatic ecosystems, of sixteen complete microvirus genomes significantly smaller (2.991–3.692 kb) than known ones. Phylogenetic analysis reveals that these sixteen genomes represent two related, yet distinct and diverse, novel groups of microviruses—amoyviruses being their closest known relatives. We propose that these small microviruses are members of two tentatively named subfamilies Reekeekeevirinae and Roodoodoovirinae. As known microvirus genomes encode many overlapping and overprinted genes that are not identified by gene prediction software, we developed a new methodology to identify all genes based on protein conservation, amino acid composition, and selection pressure estimations. Surprisingly, only four to five genes could be identified per genome, with the number of overprinted genes lower than that in phiX174. These small genomes thus tend to have both a lower number of genes and a shorter length for each gene, leaving no place for variable gene regions that could harbor overprinted genes. Even more surprisingly, these two Microviridae groups had specific and different gene content, and major differences in their conserved protein sequences, highlighting that these two related groups of small genome microviruses use very different strategies to fulfill their lifecycle with such a small number of genes. The discovery of these genomes and the detailed prediction and annotation of their genome content expand our understanding of ssDNA phages in nature and are further evidence that these viruses have explored a wide range of possibilities during their long evolution.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Simple method for determining fullerene negative ion formation

A robust potential wherein is embedded the crucial core-polarization interaction is used in the Regge-pole methodology to calculate low-energy electron elastic scattering total cross section for the C 60 fullerene in the electron impact energy range 0.02 ≤ E ≤ 10.0 eV. The energy position of the characteristic dramatically sharp resonance appearing at the second Ramsauer–Townsend minimum of the total cross section representing stable C 60 - fullerene negative ion formation agrees excellently with the measured electron affinity of C 60 [Huang et al., J. Chem. Phys. 140, 224315 (2014)]. The benchmarked potential and the Regge-pole methodology are then used to calculate electron elastic scattering total cross sections for selected fullerenes, from C 54 through C 240 . The total cross sections are found to be characterized generally by Ramsauer–Townsend minima, shape resonances and dramatically sharp resonances representing long-lived states of fullerene negative ion formation. For the total cross sections of C 70 , C 76 , C 78 , and C 84 the agreement between the energy positions of the very sharp resonances and the measured electron affinities is outstanding. Additionally, we compare our extracted energy positions of the resultant fullerene anions from our calculated total cross sections of the C 86 , C 90 and C 92 fullerenes with the estimated electron affinities ≥3.0 eV by the experiment [Boltalina et al., Rapid Commun. Mass Spectrom. 7, 1009 (1993)]. Resonance energy positions of other fullerenes, including C 180 and C 240 are also obtained. Most of the total cross sections presented in this paper are the first and only; our novel approach is general and should be applicable to other fullerenes as well and complex heavy atoms, such as the lanthanide atoms. We conclude with a remark on the catalytic properties of the fullerenes through their negative ions.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2013

Energy Zones Study: A Comprehensive Web-Based Mapping Tool to Identify and Analyze Clean Energy Zones in the Eastern Interconnection

This report describes the work conducted in support of the Eastern Interconnection States’ Planning Council (EISPC) Energy Zones Study and the development of the Energy Zones Mapping Tool performed by a team of experts from three National Laboratories. The multi-laboratory effort was led by Argonne National Laboratory (Argonne), in collaboration with the National Renewable Energy Laboratory (NREL) and Oak Ridge National Laboratory (ORNL). In June 2009, the U.S. Department of Energy (DOE) and the National Energy Technology Laboratory published Funding Opportunity Announcement FOA-0000068, which invited applications for interconnection-level analysis and planning. In December 2009, the Eastern Interconnection Planning Collaborative (EIPC) and the EISPC were selected as two award recipients for the Eastern Interconnection. Subsequently, in 2010, DOE issued Research Call RC-BM-2010 to DOE’s Federal Laboratories to provide research support and assistance to FOA-0000068 awardees on a variety of key subjects. Argonne was selected as the lead laboratory to provide support to EISPC in developing a methodology and a mapping tool for identifying potential clean energy zones in the Eastern Interconnection. In developing the EISPC Energy Zones Mapping Tool (EZ Mapping Tool), Argonne, NREL, and ORNL closely collaborated with the EISPC Energy Zones Work Group which coordinated the work on the Energy Zones Study. The main product of the Energy Zones Study is the EZ Mapping Tool, which is a web-based decision support system that allows users to locate areas with high suitability for clean power generation in the U.S. portion of the Eastern Interconnection. The mapping tool includes 9 clean (low- or no-carbon) energy resource categories and 29 types of clean energy technologies. The EZ Mapping Tool contains an extensive geographic information system database and allows the user to apply a flexible modeling approach for the identification and analysis of potential energy zones and is publicly available at http://eispctools.anl.gov. In addition to enabling EISPC members and other stakeholders to identify areas with a high concentration of clean energy resources that could provide significant power generation in the future, another objective of the study was to promote open and transparent collaboration among state-level energy planning and regulatory agencies and to foster consistent and coordinated direction for regional and interconnection-level electricity analyses and planning. Funding for the project was provided by DOE’s Office of Electricity Delivery and Energy Reliability (DOE/OE) under the American Recovery and Reinvestment Act. Page

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

On the Utility of Transmission Color Analysis i: Differentiating Super-Earths and Sub-Neptunes

The majority of exoplanets found to date have been discovered via the transit method, and transmission spectroscopy represents the primary method of studying these distant worlds. Currently, in-depth atmospheric characterization of transiting exoplanets entails the use of spectrographs on large telescopes, requiring significant observing time to study each planet. Previous studies have demonstrated trends for solar system worlds using color–color photometry of reflectance spectra, as well as trends within transmission spectra for hot Jupiters. Building on these concepts, we have investigated the use of transmission color photometric analysis for efficient, coarse categorization of exoplanets and for assessing the nature of these worlds, with a focus on resolving the bulk composition degeneracy to aid in discriminating super-Earths and sub-Neptunes. We present our methodology and first results, including spectrum models, model comparison frameworks, and wave band selection criteria. We present our results for different transmission “color” metrics, filter selection methods, and numbers of filters. Assuming noise-free spectra of isothermal atmospheres in chemical equilibrium, with our pipeline, we are able to constrain atmospheric mean molecular weight in order to distinguish between super-Earth and sub-Neptune atmospheres with >90% overall accuracy using specific low-resolution filter combinations, . We also found that increasing the number of filters does not substantially impact this performance. This method could allow for broad characterization of large numbers of planets much more efficiently than current methods permit, enabling population- and system-level studies. Additionally, data collected via this method could inform follow-up observing time by large telescopes for more detailed studies of worlds of interest.

47 OTHER INSTRUMENTATION↗
NASA NTRS1985

Combustor-diffuser interaction program

A collection of empirical and analytical design methodology on combustor-diffuser systems was completed. A fully elliptic code was selected for analyzing the combustor-diffuser interaction. Analytical model predictions were obtained for all flow conditions at which Phase 2 tests will be conducted. These results will be compared with laser doppler velocimeter data. Furthermore, a generalized nonorthogonal grid system is being developed to accurately simulate complex wall shapes.

Srinivasan, R.↗
NASA NTRS1990

Component model reduction via the projection and assembly method

This paper explains the projection and assembly model reduction method which has been used to derive reduced order component models for the Galileo spacecraft. Assembly of reduced order component models produces a reduced order system model which can then be used in multibody simulation codes for efficient run times. The methodology is explained and a proof is given showing the exact reproduction of selected significant system modes. Frequency bounds are obtained for all modes produced when the reduced order components are assembled. The projection and assembly method is demonstrated on two examples. The first example is a simplified model of the Galileo spacecraft, while the second example is the model of the Galileo spacecraft in its early mission configuration. When articulation of components is allowed, the method may not reproduce all system modes precisely. Remedies for this problem are suggested.

Kissel, Glen J.↗
NASA NTRS2003

Navigating a Mobile Robot Across Terrain Using Fuzzy Logic

A strategy for autonomous navigation of a robotic vehicle across hazardous terrain involves the use of a measure of traversability of terrain within a fuzzy-logic conceptual framework. This navigation strategy requires no a priori information about the environment. Fuzzy logic was selected as a basic element of this strategy because it provides a formal methodology for representing and implementing a human driver s heuristic knowledge and operational experience. Within a fuzzy-logic framework, the attributes of human reasoning and decision- making can be formulated by simple IF (antecedent), THEN (consequent) rules coupled with easily understandable and natural linguistic representations. The linguistic values in the rule antecedents convey the imprecision associated with measurements taken by sensors onboard a mobile robot, while the linguistic values in the rule consequents represent the vagueness inherent in the reasoning processes to generate the control actions. The operational strategies of the human expert driver can be transferred, via fuzzy logic, to a robot-navigation strategy in the form of a set of simple conditional statements composed of linguistic variables. These linguistic variables are defined by fuzzy sets in accordance with user-defined membership functions. The main advantages of a fuzzy navigation strategy lie in the ability to extract heuristic rules from human experience and to obviate the need for an analytical model of the robot navigation process.

Seraji, Homayoun↗
NASA NTRS2015

Introduction to Heat Pipes

This is the presentation file for the short course Introduction to Heat Pipes, to be conducted at the 2015 Thermal Fluids and Analysis Workshop, August 3-7, 2015, Silver Spring, Maryland. NCTS 21070-15. Course Description: This course will present operating principles of the heat pipe with emphases on the underlying physical processes and requirements of pressure and energy balance. Performance characterizations and design considerations of the heat pipe will be highlighted. Guidelines for thermal engineers in the selection of heat pipes as part of the spacecraft thermal control system, testing methodology, and analytical modeling will also be discussed.

Heat Pipes↗
NASA NTRS2021

The M-dwarf Ultraviolet Spectroscopic Sample. I. Determining Stellar Parameters for Field Stars

Accurate stellar properties are essential for precise stellar astrophysics and exoplanetary science. In the M-dwarf regime, much effort has gone into defining empirical relations that can use readily accessible observables to assess physical stellar properties. Often, these relations for the quantity of interest are cast as a nonlinear function of available data; in Bayesian modeling, however, the reverse is needed. In this article, we introduce a new Bayesian framework to self-consistently and simultaneously apply multiple empirical calibrations to fully characterize the mass, luminosity, radius, and effective temperature of a field age M-dwarf. This framework includes a new M-dwarf mass–radius relation with a scatter of 3.1% at fixed mass. We further introduce the M-dwarf Ultraviolet Spectroscopic Sample (MUSS), and apply our methodology to provide consistent stellar parameters for these nearby low-mass stars, selected as having available spectroscopic data in the ultraviolet. These targets are of interest largely as either exoplanet hosts or benchmarks in multiwavelength stellar activity. We use the field MUSS stars to define a low-mass main sequence in the solar neighborhood through Gaussian Process (GP) regression. These results enable us to empirically measure a feature in the GP derivative at M ⊙ that indicates where the MUSS transitions from fully to partly convective interiors.

J. Sebastian Pineda↗
NASA NTRSDate not supplied

Hazard Boresight Relative Navigation for Safe Lunar Landing

Hazard Boresight Relative Navigation greatly simplifies Hazard Detection and Avoidance methodologies by providing a common interface between the Hazard DEM, the Safe Site Selection Algorithm, the size of the landing ellipse, the divert distance and the Guidance targeting algorithm. After the Safe Site is selected from the DEM, Hazard Boresight Relative Navigation will replace the original planet target with the boresight target. The location of the safe site relative to the boresight is sent back to GNC for the divert maneuver.

Stephen R. Steffes↗