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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A novel coupling of noise reduction algorithms for particle flow simulations

Proper orthogonal decomposition (POD) and its extension based on time-windows have been shown to greatly improve the effectiveness of recovering smooth ensemble solutions from noisy particle data. However, to successfully de-noise any molecular system, a large number of measurements still need to be provided. In order to achieve a better efficiency in processing time-dependent fields, we have combined POD with a well-established signal processing technique, wavelet-based thresholding. In this novel hybrid procedure, the wavelet filtering is applied within the POD domain and referred to as WAVinPOD. The algorithm exhibits promising results when applied to both synthetically generated signals and particle data. In this work, the simulations compare the performance of our new approach with standard POD or wavelet analysis in extracting smooth profiles from noisy velocity and density fields. Numerical examples include molecular dynamics and dissipative particle dynamics simulations of unsteady force- and shear-driven liquid flows, as well as phase separation phenomenon. Simulation results confirm that WAVinPOD preserves the dimensionality reduction obtained using POD, while improving its filtering properties through the sparse representation of data in wavelet basis. This paper shows that WAVinPOD outperforms the other estimators for both synthetically generated signals and particle-based measurements, achieving a higher signal-to-noise ratio from a smaller number of samples. The new filtering methodology offers significant computational savings, particularly for multi-scale applications seeking to couple continuum informations with atomistic models. It is the first time that a rigorous analysis has compared de-noising techniques for particle-based fluid simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Towards computational design of zeolite catalysts for CO 2 reduction

Carbon dioxide, an energy waste by-product with significant environmental consequences can be utilized and converted into useful chemical products such as formic acid, formaldehyde, methanol or methane, but more energy and cost efficient catalytic processes are required. Here we develop the methodology for the intelligent selection of porous zeolites for dual-adsorption of hydrogen and carbon dioxide as templates for preparing the optimal catalytic environment for carbon dioxide reduction. Useful zeolite catalysts were computationally screened from over 300 thousand zeolite structures using a combination of molecular simulation and machine-learning techniques. Several of the top candidates were very promising energy-efficient templates for catalysis with the potential to perform at 50% above conventional reactors. As a result, it is also found that an optimal cavity size of around 6 Å is required to maximize the change in entropy–enthalpy upon adsorption with a maximum void space >30% to boost product formation per volume of material.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Efficient, reliable and cost-effective reversible solid oxide cell technology for hydrogen and electricity production

This report summarizes the work performed by University of California San Diego (UCSD) – OxEon Energy LLC (OxEon) for the U. S. Department of Energy/National Energy Technology Laboratory (DOE/NETL) under Cooperative Agreement DE-FE0031940 entitled “Efficient, Reliable and Cost Effective Reversible Solid Oxide Cell Technology for Hydrogen and Electricity Production”. This reversible solid oxide cell (RSOC) technology has two main novel elements: (i) a compact and low-cost stack architecture that consists of multi-cell cell modules in electrical parallel and series connections and (ii) high performance and fuel-flexible reversible cells with electrodes or all components made by sputtering deposition process for efficient operation in both fuel cell (power generation) and electrolysis (hydrogen production) modes.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Radiation Chemistry Research for Improved Nuclear Fuel Cycles

Nuclear energy is a key component of a global, low-carbon energy future. One of the challenges facing large-scale deployment of nuclear power is the long-term disposition of used nuclear fuel. Due to the political and technical challenges of siting deep geologic storage facilities, reprocessing of used nuclear fuel is desirable to reduce the total volume and decay heat of waste requiring long-term storage, enabling efficient usage of geologic storage repositories. However nuclear fuel reprocessing is complicated by intense multi-component radiation fields that degrade solvent systems that are used for this purpose. Resulting radiolytic degradation can result in reduced performance over time, and generation of additional waste. Thus, an understanding of the radiation-induced chemistry of these reprocessing solvent systems is crucial to for the development of new, radiation-resistant processes for efficiently treating used nuclear fuel. Controlled irradiation experiments combined with high-performance chromatography and mass spectrometry have provided comprehensive knowledge of radiolytic degradation pathways and kinetics, which is needed to predict the effect of radiation-induced chemistry on the performance of the nuclear fuel reprocessing technology. This talk will give an overview of recent progress in research on the radiation chemistry of fuel reprocessing molecules conducted by the Idaho National Laboratory Center for Radiation Chemistry Research (CR2) in conjunction with the Molecular Mass Spectrometry and Chromatography group.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Food Industry Co-streams: Potential Raw Materials for Biodegradable Mulch Film Applications

Vast amounts of co-streams are generated from plant and animal-based food processing industries. Efficient utilization of these co-streams is important from an economic and environmental perspective. Non-utilization or under-utilization of co-streams results in loss of potential revenues, increased disposal cost of these products and environmental pollution. At present, extensive research is taking place around the globe towards recycling of co-streams to generate value-added products. This review evaluates various co-streams from food processing industries as raw materials in developing biodegradable agricultural mulching applications. Among the agriculture-based co-streams, potato peels, tomato peels, carrot residues, apple pomace, coffee residues and peanut residues were reviewed with respect to production amount, composition, film forming components and film forming capabilities. Similarly, selected co-streams from slaughterhouses, poultry and fish processing industries were also reviewed and evaluated for the same purpose.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Influence of Process Parameters and Absorber Thickness on Efficiency of Polycrystalline CdSeTe/CdTe Thin Film Solar Cells

Graded absorbers devices with with CdSe 0.4 Te 0.6 (molar basis) and CdTe were fabricated. CdCl 2 treatment time, post-deposition CdCl 2 anneal time and thicknesses of CdSeTe and CdTe layers were varied. Photoluminescence and electrical measurements were performed on the fabricated devices. Results revealed that the individual thicknesses of CdSeTe and CdTe is critical to overall efficiency of the devices. Device fabricated on substrate with 0.5 μm CdSeTe, 3 μm CdTe with rest of process parameters kept unchanged, produced an efficiency of 20.14%. We report highest device efficiency among academia and research institutions.

Shimpi, Tushar↗
DOE OSTI2013

Efficient, air-stable colloidal quantum dot solar cells encapsulated using atomic layer deposition of a nanolaminate barrier

Atomic layer deposition was used to encapsulate colloidal quantum dot solar cells. A nanolaminate layer consisting of alternating alumina and zirconia films provided a robust gas permeation barrier which prevented device performance degradation over a period of multiple weeks. Unencapsulated cells stored in ambient and nitrogen environments demonstrated significant performance losses over the same period. The encapsulated cell also exhibited stable performance under constant simulated solar illumination without filtration of harsh ultraviolet photons. This monolithically integrated thin film encapsulation method is promising for roll-to-roll processed high efficiency nanocrystal solar cells.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Engaging the Regulatory Community to Aid Environmental Consenting/Permitting Processes for Marine Renewable Energy

Regulators involved in consenting/permitting marine renewable energy (MRE) have faced multiple challenges due to relatively new, unfamiliar technologies and uncertainty surrounding potential environmental impacts. This has resulted in slow progress for the MRE industry, including long consenting timeframes and extensive and expensive monitoring requirements, which increase financial risk for investors. OES-Environmental has surveyed regulators internationally to understand their key knowledge gaps and perspectives to support the development of the MRE industry. From the results of these surveys a data transferability process and a risk retirement pathway have been developed to assess consenting and monitoring requirements in proportion to risk. A tool for discovering existing data sets by using an online matrix has been developed, along with training materials, regulatory guidance documents, and a strategic outreach plan to engage regulators and advisers. his engagement and the application of these products should lead to a better understanding of the environmental effects of marine energy, and more efficient consenting processes.

16 TIDAL AND WAVE POWER↗
DOE OSTI2016

Microstructural Characteristics of U-Zr Ingot Slug and Atomized Powder for SFR metal Fuel

Rod-type fuel slugs and spherical powder of U- 10wt.%Zr alloy was also fabricated and characterized in microstructure by injection casting, gravity casting and centrifugal atomization process. U grains became finer from ∼30μm in conventionally ingot rod to ∼2μm in atomized powder. Laminar structure became so fine from ∼0.2μm in conventionally cast ingot rod to 0.05∼0.1μm in atomized powder. Metallic fuels such as U-Zr and U-Pu-Zr alloys have been considered as a nuclear fuel for a sodium-cooled fast reactor (SFR), related to the closed fuel cycle for managing minor actinides and reducing a high radioactivity levels since the 1980's. Metallic fuel slugs of U-Pu-Zr alloys for SFR have conventionally been fabricated by an injection casting method. U-Pu-Zr alloy melts are injected and cast into quartz tube molds during injection casting. Metallic fuel slugs are collected by fracturing quartz tubes from the molds. Demolded quartz tubes are treated with radioactive wastes. Recently, management of minor actinides (MA) became an important issue because direct disposal of the long-lived MA can be a long-term burden for a tentative repository up to several hundreds of thousand years. The metallic fuel for SFR should be remotely fabricated under a radiation shielded environment such as a hot cell, because it contains highly radioactive MA such as Np, Am and Cm. The addition of MA in the fuel composition introduces new challenges in the manufacturing of a metallic fuel slug. Am has a high vapor pressure under a vacuum atmosphere at above a melting temperature of U-Zr or U-Pu-Zr. Used graphite crucibles and quartz molds cannot be recycled easily because of difficult decontamination of radioactive residues on their surfaces. It is necessary to minimize the vaporization of Am and volume of radioactive wastes. Atomized metallic fuel does not need these quartz molds during fabrication, as uranium alloys are prepared as a particle form. It is possible to reduce the formation of radioactive wastes by applying the fabrication process of a particulate metallic fuel. Metallic fuel having a fine microstructure, which originates from a rapid solidification effect during atomization process, results in a higher FG release rate during irradiation. In the case of applying a new forming method such as vibrocompaction in Zr sheath, the sheath can act as a reliable FCCI (fuel/cladding chemical interaction) barrier and a re-constraint for external elongation. In addition, atomized fuel powder, dispersed in a Na liquid metal having a high thermal conductivity, may have a lower temperature distribution during irradiation. In order to develop an efficient fabrication process of metallic fuel for SFR, U-Zr ingot rods were fabricated in a lab-scale with various casting methods. Rod-type U-Zr fuel slugs were fabricated by gravity casting and injection casting. Spherical powder of U-Zr alloy was also fabricated by centrifugal atomization. And then, the microstructural characteristics were investigated by using electron microscopes and energy-dispersive electron X-ray spectroscopy. Atomized U-10Zr powder generally showed spherical morphology of below 200 μm in particle size. U grains became finer from ∼30 μm in conventionally ingot rod to ∼2 μm in atomized powder. Laminar structure became so fine from ∼0.2 μm in conventionally cast ingot rod to 0.05∼0.1 μm in atomized powder. Atomized particulate metallic fuel for SFR has a fine microstructure, resulting in a higher fission gas release rate during irradiation. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Workflow-based automatic processing for Internet of Floating Things crowdsourced data

Data from sensors incorporated into mobile devices, such as networked navigational sensors, can be used to capture detailed environmental information. We describe here a workflow and framework for using sensors on boats to construct unique new datasets of underwater topography (bathymetry). Starting with a large number of measurements of position, depth, etc., obtained from such an Internet of Floating Things, we illustrate how, with a specialized protocol, data can be communicated to cloud resources, even when using delayed, intermittent, or disconnected networks. We then propose a method for automatic sensor calibration based on a novel reputation approach. Sampled depth data are interpolated efficiently on a cloud computing platform in order to provide a continuously updated bathymetric database. Our prototype implementation uses the FACE-IT Galaxy workflow engine to manage network communication and exploits the computational power of GPGPUs in a virtualized cloud environment, working with a CUDA-parallel algorithm, for efficient data processing. We report on an initial evaluation involving data from a sailing vessel in Italian coastal waters.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2016

Development of Advanced ISS-WPA Catalysts for Organic Oxidation at Reduced Pressure/Temperature

The Water Processor Assembly (WPA) at International Space Station (ISS) processes a waste stream via multi-filtration beds, where inorganic and non-volatile organic contaminants are removed, and a catalytic reactor, where low molecular weight organics not removed by the adsorption process are oxidized at elevated pressure in the presence of oxygen and elevated temperature above the normal water boiling point. Operation at an elevated pressure requires a more complex system design compared to a reactor that could operate at ambient pressure. However, catalysts currently available have insufficient activity to achieve complete oxidation of the organic load at a temperature less than the water boiling point and ambient pressure. Therefore, it is highly desirable to develop a more active and efficient catalyst at ambient pressure and a moderate temperature that is less than water boiling temperature. This paper describes our efforts in developing high efficiency water processing catalysts. Different catalyst support structures and coating metals were investigated in subscale reactors and results were compared against the flight WPA catalyst. Detailed improvements achieved on alternate metal catalysts at ambient pressure and 200 F will also be presented in the paper.

Yu, Ping↗
DOE OSTI2017

Production of low-oxygen bio-oil via ex situ catalytic fast pyrolysis and hydrotreating

Catalytic fast pyrolysis (CFP) bio-oils with different organic oxygen contents (4-18 wt%) were prepared in a bench-scale dual fluidized bed reactor system by ex situ CFP of southern pine over HZSM-5, and the oils were subsequently hydrotreated over a sulfided CoMo catalyst at 170 bar. The goal was to determine the impact of the CFP oil oxygen content on hydrotreating requirements. The CFP oils with higher oxygen contents included a variety of oxygenates (phenols, methoxyphenols, carbonyls, anhydrosugars) whereas oxygenates in the 4 wt% oxygen oil were almost exclusively phenols. Phenols were the most recalcitrant oxygenates during hydrotreating as well, and the hydrotreated oils consisted mainly of aromatic and partially saturated ring hydrocarbons. The temperature required to produce oil with <1% oxygen was approximately 350 °C for the CFP oil with the lowest oxygen content whereas temperatures around 400 °C were required for the other CFP oils. The carbon efficiency during hydrotreating slightly decreased as the CFP oil oxygen content increased but remained above 90% in all cases, and the carbon efficiency for the integrated process was dominated by the efficiency of the CFP process. In conclusion, a preliminary technoeconomic evaluation suggested that with the current zeolite-based CFP catalysts, it is economically beneficial to preserve carbon during CFP, at the expense of higher oxygen contents in the CFP oil.

09 BIOMASS FUELS↗
DOE OSTI2013

Minimizing the formation of coke and methane on Co nanoparticles in steam reforming of biomass-derived oxygenates

Fundamental understanding and control of chemical transformations are essential to the development of technically feasible and economically viable catalytic processes for efficient conversion of biomass to fuels and chemicals. Using an integrated experimental and theoretical approach, we report high hydrogen selectivity and catalyst durability of acetone steam reforming (ASR) on inert carbon supported Co nanoparticles. The observed catalytic performance is further elucidated on the basis of comprehensive first-principles calculations. Instead of being considered as an undesired intermediate prone for catalyst deactivation during bioethanol steam reforming (ESR), acetone is suggested as a key and desired intermediate in proposed two-stage ESR process that leads to high hydrogen selectivity and low methane formation on Co-based catalysts. The significance of the present work also sheds a light on controlling the chemical transformations of key intermediates in biomass conversion such as ketones. We gratefully acknowledge the financial support from U. S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, and the Laboratory directed research and development (LDRD) project of Pacific Northwest National Laboratory (PNNL). Computing time was granted by the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL). The EMSL is a U.S. DOE national scientific user facility located at PNNL, and sponsored by the U.S. DOE’s Office of Biological and Environmental Research.

biomass↗
DOE OSTI2022

ThunderSecure: deploying real-time intrusion detection for 100G research networks by leveraging stream-based features and one-class classification network

Nowadays, data generated by large-scale scientific experiments are on the scale of petabytes per month. These data are transferred through dedicated high-bandwidth networks (40/100G) across distributed sites for processing, storage, and analysis. Like general purpose networks, research networks experience intrusions. However, monitoring anomalies in such high-speed network traffics is challenging given current cyber-infrastructure. Moreover, traditional network intrusion detection systems (NIDS) are signature based. However, anomaly patterns are difficult to define and that rulesets are often not updated frequently enough to reflect the changes of attack behaviors. We present ThunderSecure, a high-throughput, unsupervised learning-based intrusions detection system for 100G research networks. ThunderSecure implements an efficient packet processing and detection pipeline using multi-cores and GPUs. It extracts statistical and temporal features from real-time network data streams and feeds them to a one-class anomaly detection network. A baseline of normal distribution will be created based on the training observation. Testing traffic deviated from the learned profile will be marked as anomalies. We trained ThunderSecure on hundreds of billions of science data packets mirrored from two 100G network connections at Fermi National Accelerator Laboratory. The detection performance was evaluated on traffic captured from the same research network days and weeks after the training with different types of attack flows injected. Results show that ThunderSecure can recognize science data traffic captured long after the training and made nearly certain detection on the segment of the streams where anomalous flows were injected.

100G research network↗
DOE OSTI2024

Mapping use cases and dataset needs for benchmarking buildings data

A perennial challenge in buildings research is the lack of high-quality datasets that can be relied upon for a wide array of tasks, including model calibration and improving energy efficiency and load flexibility. Instrumenting a building for data collection is resource intensive, so it is important to be methodical in the approach and ensure that resulting data are flexible and useful for a broad range of analyses. This study aims to fill the gaps in characterizing potential use cases for buildings datasets and mapping them to dataset needs using a well-defined data infrastructure. Here, we have developed a systematic mapping strategy between buildings dataset needs and use cases to help streamline the processes of efficiently targeting datasets, designing building sensing systems, and determining buildings research use cases. We selected 14 prospective use cases and 11 refined buildings data categories for developing the preliminary dataset-needs-to-use-cases mapping matrix (‘DN-UC mapping matrix’) with generic ‘Tags’—a detailed sub-level of data categories extracted by justifying the needs of an aspect of the datasets to use cases. We present two example applications of the developed mapping matrix to demonstrate use of the mapping matrix and its effectiveness.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

New Catalyst Reduces Wasted Carbon in Biofuel Process, Lowers Cost

Researchers at NREL recently developed a catalyst formulation that incorporates more hydrogen into the DME-to-high-octane gasoline process, resulting in a higher yield to gasoline-range products. Further, the researchers developed a secondary process that efficiently couples a portion of the gasoline-range product to yield jet/diesel fuels. The modified catalyst doubles the conversion rate of DME, which can be produced from biomass, to the high-octane gasoline product and significantly decreases the formation of wasted byproducts. For the distillate-range product, 80% of the mixture is in line with ASTM standards for use as a jet fuel blendstock. The increased productivity of high-octane gasoline and the development of a value-added distillate blendstock process further improve the economic viability toward commercially implementing this renewable fuels process.

09 BIOMASS FUELS↗
DOE OSTI2017

How systems engineering and human factors can assist SMR vendors with the licensing process - 345

There is growing interest in the development of small modular reactors (SMRs) as a cost-effective renewable source of energy. Most of the current conceptual designs propose advanced and automated control and monitoring technologies which would require complex human system interfaces. The proposals also include a reduction in the number of staff, and partial or full remote control of the facilities. The human factors challenges of such a design philosophy range from identification of information requirements of users to assessing workload to deciding on best information visualization techniques to ensure situation awareness is maintained in a remote control facility. Addressing these challenges will require a systems engineering approach where user requirements are identified through a systematic approach for various contexts, including normal, abnormal, and accident conditions. A systems engineering process will integrate human factors as well as other specialty disciplines such as reliability and design optimization in a coherent fashion that would lead to realization of a successful system that addresses user requirements. The licensing model in Canada is based upon a graded approach and is largely technology neutral. A key factor in ensuring effective licensing effort is identification of regulatory requirements. This paper discusses how adopting a systems engineering approach and early consideration of human factors principles and requirements will not only ensure an efficient design process, but will also help with developing a design that meets the regulatory requirements. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Review on first-principles study of defect properties of CdTe as a solar cell absorber

CdTe is one of the leading materials for high-efficiency, low-cost, and thin-film solar cells. In this work, we review the recent first-principles study of defect properties of CdTe and present that: (1) When only intrinsic defects are present, p-type doping in CdTe is weak and the hole density is low due to the relatively deep acceptor levels of Cd vacancy. (2) When only intrinsic defects present, the dominant non-radiative recombination center in p-type CdTe is Te-2+/Cd, which limits the carrier lifetime to be around 200 ns. (3) Extrinsic p-type doping in CdTe by replacing Te with group V elements generally will be limited by the formation of AX centers. This could be overcome through a non-equilibrium cooling process and the hole density can achieve 10^17 cm-3. However, the long-term stability will be a challenging issue. (4) Extrinsic p-type doping by replacing Cd with alkaline group I elements is limited by alkaline interstitials and a non-equilibrium cooling process can efficiently enhance the hole density to the order of 10^17 cm-3. (5) Cu and Cl treatments are discussed. In bulk CdTe, Cu can enhance p-type doping, but Cl is found to be unsuitable for this. Both Cu and Cl show segregation at grain boundaries, especially at those with Te-Te wrong bonds. (6) External impurities are usually incorporated by diffusion. Therefore, the diffusion processes in CdTe are investigated. We find that cation interstitial (Nai, Cui) diffusion follows relatively simple diffusion paths, but anion diffusion (Cli, Pi) follows more complicated paths due to the degenerated defect wavefunctions.

14 SOLAR ENERGY↗