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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Understanding surfaces and interfaces in nanocomposites of silicone and barium titanate through experiments and modeling

Barium titanate (BTO) is a ferroelectric perovskite used in electronics and energy storage systems because of its high dielectric constant. Decreasing the BTO particle size was shown to increase the dielectric constant of the perovskite, which is an intriguing but contested result. We investigated this result by fabricating silicone-matrix nanocomposite specimens containing BTO particles of decreasing diameter. Furthermore, density functional theory modeling was used to understand the interactions at the BTO particle surface. Combining results from experiments and modeling indicated that polymer type, particle surface interactions, and particle surface structure can influence the dielectric properties of polymer-matrix nanocomposites containing BTO.

composite↗
DOE OSTI2020

Initial Implementation Of Machine Learning System for SRF Cavity Fault Classification at CEBAF

The Continuous Electron Beam Accelerator Facility (CEBAF) at Jefferson Laboratory is high power CW electron accelerator. It uses a mixture of two types of SRF modules, older, lower energy C20/C50 modules and newer higher energy C100 modules, arrayed in two anti-parallel linear accelerators. Accurately classifying the type of cavity faults is essential to maintaining and improving accelerator performance. Each C100 cryomodule contains eight 7-cell cavities. When a cavity fault occurs within a cryomodule, all eight cavities generate 17 waveforms each containing 8192 points. This data is exported from EPICS and saved for review. Analysis of these waveforms is time intensive and requires subject matter expertise (SME). SMEs examine the data from each event and label it according to one of several known cavity fault types. Multiple machine learning models have been developed on this labeled dataset with sufficient performance to warrant the creation of a limited machine learning software system for use by accelerator operations staff. This paper discusses the transition from model development to implementation of a prototype system.

Carpenter, A.↗
DOE OSTI2021

XCP- Computational Summer Workshop: Equation of State Overview [Slides]

An overview of Equation of State (EOS) theory, some relevant physics, experiments, computational methods, and the SESAME database will be presented. The goal will be to describe what types of data and modeling are required to make an EOS that typically spans up to ~10 9 GPa in pressure and 10 9 K in temperature.

42 ENGINEERING↗
DOE OSTI2021

An unstructured C-grid type variational formulation for the sea ice dynamics

Historically, B-grid formulations of sea ice dynamics have been dominant because they have matched the grid type used by ocean models. The reason for the grid match is simple – it facilitates penetration of the curl of ice-ocean stress into the deep ocean with minimal numerical diffusivity because sea ice and ocean velocity are co-located. In recent years, as ocean models have increasingly progressed to C-grids, sea ice models have followed suit on quadrilateral meshes, but the implementation of an unstructured C-grid sea ice models is new. We present an unstructured C-grid discretization of the Elastic Viscous Plastic (EVP) rheology, where the velocity unknowns are discretized at the edges of the mesh cells with n-sides, where typically n is greater than or equal to four, rather than at the vertices, as in the B-grid. Our framework of choice is the Model for Prediction Across Scales (MPAS) within E3SM, the climate model of the U.S. Department of Energy, although our approach is general and could be applied to other models as well. While MPAS-Seaice is currently defined on a B-grid, MPAS-Ocean runs on a C-grid, hence interpolation operators are heavily used when coupled simulations are performed. In this work, we describe a mathematical formulation to transition the dynamics of MPAS-Seaice to a C-grid, in order to ultimately facilitate the coupling with MPAS-Ocean and reduce numerical errors associated with this communication. Numerical results are reported to highlight the features of the method.

58 GEOSCIENCES↗
DOE OSTI2021

Comparative Study for Pressure Gain Combustion-Gas Turbine System Performance in NGCC Configurations

The Department of Energy (DOE) has a goal to increase natural gas combined cycle (NGCC) plant efficiency to greater than 70 percent on a lower heating value (LHV) basis. Improvement in gas turbine (GT) efficiency is key achieving this goal. While many of the traditional improvement methods (higher firing temperature, advanced materials, improved cooling methods, etc.) may increase current GT and NGCC efficiencies incrementally, combining these traditional advancements with breakthrough technologies such as pressure gain combustion (PGC) may provide significant system efficiency gains. PGC is a combustion process that results in a net pressure increase across the combustor (up to pressure ratio of 2.2) rather than the traditional (<5%) pressure drop. There are multiple PGC technologies being developed that create the pressure rise phenomena, including resonant pulse combustors (RPCs), pulse detonation engines (PDEs), wave rotor combustor (WRC) engines and rotating detonation engines (RDEs). In this study, scoping analyses of PGC concepts applied to NGCC power plants were performed by combining simplified analytical models for the RPC, PDE, WRC, and RDE types of pressure gain processes with a GT model to evaluate impacts of using each of the PGC technologies on key GT performance parameters. Sensitivity analyses were also performed. Ultimately, the PGC technologies were found to have the potential to increase simple cycle efficiency by 4–6 percent (absolute) and NGCC efficiency by 2–3 percent (absolute) based on the results of the current study.

03 NATURAL GAS↗
DOE OSTI2024

Nuclear Physics of Compact Binaries with GADGET

The research goal of this project was to experimentally constrain the thermonuclear rate of the 15 O(α, Υ) 19 Ne reaction, whose uncertainty has a strong influence on the modeling of astrophysical Type-I X-ray bursts on accreting neutron stars. To this end, Experiment 21072 was run in November 2022 at the Facility for Rare Isotope Beams using the GADGET II detection system. The limited scope and duration of this award included work in the year following the experiment: drafting a technical paper on the time projection chamber of the GADGET II detection system, and analysis of data from Experiment 21072. The award contributed to the education and development of the scientific and technical workforce by partially supporting one postdoctoral Research Associate who did this work.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Addressing tokens dynamic generation, propagation, storage and renewal to secure the GlideinWMS pilot based jobs and system

GlideinWMS has been one of the first middleware in the WLCG community to transition from X.509 to support also tokens. The first step was to get from the prototype in 2019 to using tokens in production in 2022. This paper will present the challenges introduced by the wider adoption of tokens and the evolution plans for securing the pilot infrastructure of GlideinWMS and supporting the new requirements. In the last couple of years, the GlideinWMS team supported the migration to tokens of experiments and resources. Inadequate support in the current infrastructure, more stringent requirements, and the higher spatial and temporal granularity forced GlideinWMS to revisit once more how credentials are generated, used, and propagated. The new credential modules have been designed to be used in multiple systems (GWMS, HC) and use a model where credentials have type, purpose, and different flows. Credentials are dynamically generated in order to customize the duration and limit the scope to the targeted resource. This allows to enforce the least privilege principle. Finally, we also considered adding credential storage, renewal, and invalidation mechanisms within the GlideinWMS infrastructure to serve better the experiments’ needs.

Mambelli, Marco↗
DOE OSTI2023

Changing Characteristics of Tropical Extreme Precipitation–Cloud Regimes in Warmer Climates

In this study, we investigated the changing characteristics of climatic scale (monthly) tropical extreme precipitation in warming climates using the Energy Exascale Earth System Model (E3SM). The results are from Atmospheric Model Intercomparison Project (AMIP)-type simulations driven by (a) a control experiment with the present-day sea surface temperature (SST) and CO 2 concentration, (b) P4K, the same as in (a) but with a uniform increase of 4K in the SST globally, and (c) the same as in (a), but with an imposed SST and CO 2 concentration from the outputs of the coupled E3SM forced by a 4xCO 2 concentration. We found that as the surface warmed under P4K and 4xCO 2 , both convective and stratiform rain increased. Importantly, there was an increasing fractional contribution of stratiform rain as a function of the precipitation intensity, with the most extreme but rare events occurring preferentially over land more than the ocean, and more so under 4xCO 2 than P4K. Extreme precipitation was facilitated by increased precipitation efficiency, reflecting accelerated rates of recycling of precipitation cloud water (both liquid and ice phases) in regions with colder anvil cloud tops. Changes in the vertical profiles of clouds, condensation heating, and vertical motions indicate increasing precipitation–cloud–circulation organization from the control and P4K to 4xCO 2 . The results suggest that large-scale ocean warming, that is, P4K, was the primary cause contributing to an organization structure resembling the well-known mesoscale convective system (MCS), with increased extreme precipitation on shorter (hourly to daily) time scales. Additional 4xCO 2 atmospheric radiative heating and dynamically consistent anomalous SST further amplified the MCS organization under P4K. Analyses of the surface moist static energy distribution show that increases in the surface moisture (temperature) under P4K and 4xCO 2 was the key driver leading to enhanced convective instability over tropical ocean (land). However, a fast and large increase in the land surface temperature and lack of available local moisture resulted in a strong reduction in the land surface relative humidity, reflecting severe drying and enhanced convective inhibition (CIN). It is argued that very extreme and rare “record-breaking” precipitation events found over land under P4K, and more so under 4xCO 2 , are likely due to the delayed onset of deep convection, that is, the longer the suppression of deep convection by CIN, the more severe the extreme precipitation when it eventually occurs, due to the release of a large amount of stored surplus convective available potential energy in the lower troposphere during prolonged CIN.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Supplementary spatial data for Available Land for Cellulosic Biofuel Production: A Supply Chain Centered Comparison

Collection of the underlying spatially explicit data for Available Land for Cellulosic Biofuel Production: A Supply Chain Centered Comparison. Includes raw biomass yield data and soil carbon sequestration potential data for three types of marginal land for the USA midwest at the field level including field areas. Collection also includes raw land rasters for the three types of marginal land, model parameters for the MILP model used in the study, and results used to generate the figures in the paper.

bioenergy landscape design↗
DOE OSTI2022

Deep Active Learning for Solvability Prediction in Power Systems

Traditional methods for solvability region analysis can only have inner approximations with inconclusive conservatism and handle limited types of power flow models. In this letter, we propose a deep active learning framework for solvability prediction in power systems. Compared with passive learning where the training is performed after all instances are labeled, active learning selects most informative instances to be labeled and therefore significantly reduces the size of the labeled dataset for training. In the active learning framework, the acquisition functions, which correspond to different sampling strategies, are defined in terms of the on-the-fly posterior probability from the classifier. First, the IEEE 39-bus system is employed to validate the proposed framework, where a two-dimensional case is illustrated to visualize the effectiveness of the sampling method followed by the high-dimensional numerical experiments. Then, the Northeast Power Coordinating Council (NPCC) 140-bus system is used to validate the performance on large-scale power systems.

42 ENGINEERING↗
DOE OSTI2020

High-contrast Thermal Infrared Spectroscopy with ALES: The 3–4 μm Spectrum of κ Andromedae b

We present the first L-band (2.8–4.1 μm) spectroscopy of κ Andromedae b, a ~20 M Jup companion orbiting at 1" projected separation from its B9-type stellar host. We combine our Large Binocular Telescope (LBT) Arizona Lenslets for Exoplanet Spectroscopy (ALES) integral field spectrograph data with measurements from other instruments to analyze the atmosphere and physical characteristics of κ And b. We report a discrepancy of ~20% (2σ) in the L' flux of κ And b when comparing to previously published values. We add an additional L' constraint using an unpublished imaging data set collected in 2013 using the LBT Interferometer/LMIRCam, the instrument in which the ALES module has been built. The LMIRCam measurement is consistent with the ALES measurement, both suggesting a fainter L-band scaling than previous studies. The data, assuming the flux scaling measured by ALES and LMIRCam imaging, are well fit by an L3-type brown dwarf. Atmospheric model fits to measurements spanning 0.9–4.8 μm reveal some tension with the predictions of evolutionary models, but the proper choice of cloud parameters can provide some relief. In particular, models with clouds extending to very low pressures composed of grains ≤1 μm appear to be necessary. If the brighter L' photometry is accurate, there is a hint that subsolar metallicity may be required.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The High Fraction of Thin Disk Galaxies Continues to Challenge ΛCDM Cosmology

Any viable cosmological framework has to match the observed proportion of early- and late-type galaxies. In this contribution, we focus on the distribution of galaxy morphological types in the standard model of cosmology (Lambda cold dark matter, ΛCDM). Using the latest state-of-the-art cosmological ΛCDM simulations known as Illustris, IllustrisTNG, and EAGLE, we calculate the intrinsic and sky-projected aspect ratio distribution of the stars in subhalos with stellar mass M * > 10 10 M ⊙ at redshift z = 0. There is a significant deficit of intrinsically thin disk galaxies, which however comprise most of the locally observed galaxy population. Consequently, the sky-projected aspect ratio distribution produced by these ΛCDM simulations disagrees with the Galaxy And Mass Assembly (GAMA) survey and Sloan Digital Sky Survey at ≥12.52σ (TNG50-1) and ≥14.82σ (EAGLE50) confidence. The deficit of intrinsically thin galaxies could be due to a much less hierarchical merger-driven build-up of observed galaxies than is given by the ΛCDM framework. It might also arise from the implemented sub-grid models, or from the limited resolution of the above-mentioned hydrodynamical simulations. We estimate that an 8 5 times better mass resolution realization than TNG50-1 would reduce the tension with GAMA to the 5.58σ level. Finally, we show that galaxies with fewer major mergers have a somewhat thinner aspect ratio distribution. Given also the high expected frequency of minor mergers in ΛCDM, the problem may be due to minor mergers. In this case, the angular momentum problem could be alleviated in Milgromian dynamics because of a reduced merger frequency arising from the absence of dynamical friction between extended dark matter halos.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

An Integral-based Technique to Accelerate the Monte Carlo Radiative Transfer Computation for Supernovae

We present an integral-based technique (IBT) algorithm to accelerate supernova (SN) radiative transfer calculations. The algorithm utilizes “integral packets,” which are calculated by the path integral of the Monte Carlo (MC) energy packets, to synthesize the observed spectropolarimetric signal at a given viewing direction in a 3D time-dependent radiative transfer program. Compared to the event-based technique (EBT) proposed by M. Bulla et al., our algorithm significantly reduces the computation time and increases the MC signal-to-noise ratio (S/N). Using a 1D spherical symmetric Type Ia SN ejecta model DDC10 and its derived 3D model, the IBT algorithm has successfully passed the verification of spherical symmetry and cross comparison on a 3D SN model with the direct-counting technique and EBT. Notably, with our algorithm implemented in the 3D MC radiative transfer code SEDONA, the computation time is faster than EBT by a factor of 10−30, and the S/N is better by a factor of 1.5−3, with the same number of MC quanta.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Addressing tokens dynamic generation, propagation, storage and renewal to secure the GlideinWMS pilot based jobs and system

GlideinWMS has been one of the first middleware in the WLCG community to transition from X.509 to support also tokens. The first step was to get from the prototype in 2019 to using tokens in production in 2022. This paper will present the challenges introduced by the wider adoption of tokens and the evolution plans for securing the pilot infrastructure of GlideinWMS and supporting the new requirements. In the last couple of years, the GlideinWMS team supported the migration of experiments and resources to tokens. Inadequate support in the current infrastructure, more stringent requirements, and the higher spatial and temporal granularity forced GlideinWMS to revisit once more how credentials are generated, used, and propagated. The new credential modules have been designed to be used in multiple systems (GlideinWMS, HEPCloud) and use a model where credentials have type, purpose, and different flows. Credentials are dynamically generated in order to customize the duration and limit the scope to the targeted resource. This allows to enforce the least privilege principle. Finally, we also considered adding credential storage, renewal, and invalidation mechanisms within the GlideinWMS infrastructure to better serve the experiments' needs.

Coimbra, Bruno Moreira [Fermilab] (ORCID:000900022↗
DOE OSTI2020

Results of the third Marine Ice Sheet Model Intercomparison Project (MISMIP+)

We present the result of the third Marine Ice Sheet Model Intercomparison Project, MISMIP+. MISMIP+ is intended to be a benchmark for ice-flow models which include fast sliding marine ice streams and floating ice shelves and in particular a treatment of viscous stress that is sufficient to model buttressing, where upstream ice flow is restrained by a downstream ice shelf. A set of idealized experiments first tests that models are able to maintain a steady state with the grounding line located on a retrograde slope due to buttressing and then explore scenarios where a reduction in that buttressing causes ice stream acceleration, thinning, and grounding line retreat. The majority of participating models passed the first test and then produced similar responses to the loss of buttressing. We find that the most important distinction between models in this particular type of simulation is in the treatment of sliding at the bed, with other distinctions – notably the difference between the simpler and more complete treatments of englacial stress but also the differences between numerical methods – taking a secondary role.

58 GEOSCIENCES↗
DOE OSTI2026

Co-Design of Charge Transport Superhighways to Connect Catalytic Sites in Soft Photoelectrochemical Systems

Efficient photon-to-electron-to-molecule conversion requires multi-length scale control over charge transport pathways, where electronic charges are delivered to catalytic sites under high mass transport flux. A fundamental question is how can we co-design charge transport pathways to promote efficient charge transfer to/from catalytic sites in complex three-dimensional architectures? Soft conducting polymer systems offer exceptional promise to provide three-dimensional charge transport networks, where electrolyte (ion and solvent) can interdiffuse to promote long-lived charge carriers and the molecular nature allows for strategic synthetic design of catalytic sites. Herein we combine theoretical and experimental approaches to investigate the earliest stages of photoelectrochemical deposition of near-surface catalytic sites (Pt) on soft bulk heterojunction polymeric semiconductors composed of a prototype donor (PTB7-Th) and a prototype acceptor (N2200) as a model system towards better understanding molecular catalyst-polymer site interactions. We focus initially on photoelectrochemical deposition of low Pt loadings, nanoparticle sizes (formed by progressive nucleation) below 20 nm, for both density functional theory (DFT) modeling studies and for spectroscopic characterization using surface-sensitive X-ray and UV-photoemission (XPS/UPS). DFT modeling of “n-type” N2200 slabs reveal for the first time that sulfur atoms in the thiophene units serve as the lowest-energy adsorption sites for single Pt atoms, while larger Pt clusters engage more complexly with both thiophene and naphthalene diimide (NDI) core sites. Changes in chemical composition observed by X-ray photoelectron spectroscopy (XPS) support the DFT predictions, and the angle-resolved measurements reveal that Pt nucleation initiates at subsurface sites which appear to be localized active domains that promote charge transport/transfer and enable vertical growth toward the surface. These results suggest that light-activated Pt nanoparticle deposition decorates energetically distinct sites, where photoactivity is dictated by the local energetics of those sites, and the fact that they represent the termini of charge transport “super-highways” – a small percentage of the total volume of the donor/acceptor polymeric active layer which carries most of the photocurrent generated during both Pt deposition and photoelectrochemical HER. We posit that these initial studies provide a foundational strategy for design of catalytic sites in the near surface regions of complex polymeric materials and advancing soft semiconductor-based photoelectrochemical systems. Achieving a nanometer-scale understanding of catalyst deposition and the impact of local composition and energetics on that placement, should ultimately provide the design guidelines (co-design) for a broad array of catalysts at sites that optimize that efficiency and maximize platform durability.

14 SOLAR ENERGY↗
DOE OSTI2022

Development of a Configurable DERMS Test System in GridAPPS-D

Distributed Energy Resources and their increased penetration within the power grid are a suitable method to provide essential reliability services. In order to do so, they must operate in aggregate. Aggregation of a wide variety of systems with varying standards and protocols is a complex task, which could benefit from rules and standards to support interoperability. To this end, the Portland State University Power Lab has developed the Energy Grid of Things project, which includes a Distributed Energy Resource Management System to provide aggregation and demonstrate the usage of an Energy Services Interface: a set of rules governing the interface between resource owners and aggregator businesses. This thesis presents a Modeling Environment that provides a simulation and test platform reflecting the complex needs of an aggregator. A grid simulator is required that is able to reflect the effects of thousands of Distributed Energy Resources operating in tandem; furthermore, these effects must be communicated to external actors such as the Grid Operator, which provides grid service requests to the aggregator and requires feedback. The Modeling Environment provides all of this functionality by leveraging the GridAPPS-D platform to develop an interoperable class-based system that provides configurable simulations with modular input and output APIs. The Modeling Environment uses abstractions to allow any feasible type of input to be reflected within the model as a Distributed Energy Resource, and serves as a proof-of-concept for the development of aggregation simulation and testing within GridAPPS-D.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

SRF Cavity Fault Classification and Prediction at Jefferson Lab

Over the last few years several machine learning projects at Jefferson Lab have had a common focus to optimize operation of superconducting RF (SRF) cavities in the Continuous Electron Beam Accelerator Facility (CEBAF). In this talk we highlight work to identify and classify types of faults from C100-type cavities and then to extend those capabilities to provide real-time fault prediction. Early prediction may enable mitigation strategies to prevent some types of faults. In our approach we apply a two-step fault prediction pipeline. In the first step, a model distinguishes between faulty and normal signals. In the second step, signals flagged as faulty by the first model are classified into one of seven fault types based on learned signatures in the data. Initial results show that our model can successfully predict most fault types 200 ms before onset. In additional to model performance, we also highlight challenges in working with real-world data and challenges for deploying models.

Tennant, C.↗