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At least 577 records · Page 32

All sources NASA NTRS DOE OSTI

DOE OSTI2023

RouteE-Powertrain [SWR-19-19]

RouteE-Powertrain is a tool for predicting energy usage over a set of road links. RouteE-Powertrain is a Python package that allows users to work with a set of pre-trained mesoscopic vehicle energy prediction models for a varity of vehicle types. Additionally, users can train their own models if "ground truth" energy consumption and driving data are available. RouteE-Powertrain models predict vehicle energy consumption over links in a road network, so the features considered for prediction often include traffic speeds, road grade, turns, etc. The typical user will utilize RouteE's catalog of pre-trained models. Currently, the catalog consists of light-duty vehicle models, including conventional gasoline, diesel, hybrid electric (HEV), and battery electric (BEV). These models can be applied to link-level driving data (in the form of pandas dataframes) to output energy consumption predictions. Users that wish to train new RouteE models can do so. The model training function of RouteE enables users to use their own drive-cycle data, powertrain modeling system, and road network data to train custom models. https://pypi.org/project/nrel.routee.powertrain/ pip install nrel.routee.powertrain

Holden, Jacob↗

DOE OSTI2012

Literature mining of protein-residue associations with graph rules learned through distant supervision

Background: We propose a method for automatic extraction of protein-specific residue mentions from the biomedical literature. The method searches text for mentions of amino acids at specific sequence positions and attempts to correctly associate each mention with a protein also named in the text. The methods presented in this work will enable improved protein functional site extraction from articles, ultimately supporting protein function prediction. Our method made use of linguistic patterns for identifying the amino acid residue mentions in text. Further, we applied an automated graph-based method to learn syntactic patterns corresponding to protein-residue pairs mentioned in the text. We finally present an approach to automated construction of relevant training and test data using the distant supervision model. Results: The performance of the method was assessed by extracting protein-residue relations from a new automatically generated test set of sentences containing high confidence examples found using distant supervision. It achieved a F-measure of 0.84 on automatically created silver corpus and 0.79 on a manually annotated gold data set for this task, outperforming previous methods. Conclusions: The primary contributions of this work are to (1) demonstrate the effectiveness of distant supervision for automatic creation of training data for protein-residue relation extraction, substantially reducing the effort and time involved in manual annotation of a data set and (2) show that the graph-based relation extraction approach we used generalizes well to the problem of protein-residue association extraction. This work paves the way towards effective extraction of protein functional residues from the literature.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

An adaptable technique for comparative image assessment: Application to crosswell electromagnetic survey design for fluid monitoring

Reservoir integrity stewardship accompanying carbon capture and sequestration considers fluid extraction and reinjection as a risk-mitigating method against overpressuring that could lead to caprock damage and ensuing [Formula: see text] leakage. Crosswell electromagnetics offers a technically viable monitoring method with the spatial volume coverage necessary for reservoir-encompassing pressure management. However, a certain logistic dilemma for deep gas sequestration into saline and thus electrically conductive aquifers is that crosswell magnetic-field measurements underperform in the imaging of more resistive plume bodies, further exacerbated when vertical arrays intersect, as opposed to surround, plumes. Furthermore, comparative synthetic-data plume imaging of such scenarios rates the information content of magnetic-field versus electric-field 3D crosswell layouts for reservoir and infrastructure conditions of a representative pilot site in a coastal area in Florida. The image quality of the resulting plume replications can be ranked numerically through a newly proposed semblance qualifier, appraising the model goodness of fit to a given reference. In contrast to common least-squares measures for goodness of fit, the semblance formulation uses classifying logistic function types, thus enabling a better distinction of predefined anomaly features.

58 GEOSCIENCES↗

DOE OSTI2023

Nonlocal metasurface for circularly polarized light detection

Modern-day sensing and imaging applications increasingly rely on accurate measurements of the primary physical quantities associated with light waves: intensity, wavelength, directionality, and polarization. These are conventionally performed with a series of bulky optical elements, but recently, it has been recognized that optical resonances in nanostructures can be engineered to achieve selective photodetection of light waves with a specific set of predetermined properties. Here, we theoretically illustrate how a thin silicon layer can be patterned into a dislocated nanowire-array that affords detection of circularly polarized light with an efficiency that reaches the theoretical limit for circular dichroism of a planar detector in a symmetric external environment. The presence of a periodic arrangement of dislocations is essential in achieving such unparalleled performance as they enable selective excitation of nonlocal, guided-mode resonances for one handedness of light. We also experimentally demonstrate compact, high-performance chiral photodetectors created from these dislocated nanowire-arrays. This work highlights the critical role defects can play in enabling new nanophotonic functions and devices.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2015

Long-range, low-cost electric vehicles enabled by robust energy storage

ABSTRACT A variety of inherently robust energy storage technologies hold the promise to increase the range and decrease the cost of electric vehicles (EVs). These technologies help diversify approaches to EV energy storage, complementing current focus on high specific energy lithium-ion batteries. The need for emission-free transportation and a decrease in reliance on imported oil has prompted the development of EVs. To reach mass adoption, a significant reduction in cost and an increase in range are needed. Using the cost per mile of range as the metric, we analyzed the various factors that contribute to the cost and weight of EV energy storage systems. Our analysis points to two primary approaches for minimizing cost. The first approach, of developing redox couples that offer higher specific energy than state-of-the-art lithium-ion batteries, dominates current research effort, and its challenges and potentials are briefly discussed. The second approach represents a new insight into the EV research landscape. Chemistries and architectures that are inherently more robust reduce the need for system protection and enables opportunities of using energy storage systems to simultaneously serve vehicle structural functions. This approach thus enables the use of low cost, lower specific energy chemistries without increasing vehicle weight. Examples of such systems include aqueous batteries, flow cells, and all solid-state batteries. Research progress in these technical areas is briefly reviewed. Potential research directions that can enable low-cost EVs using multifunctional energy storage technologies are described.

36 MATERIALS SCIENCE↗

DOE OSTI2018

A Systems Biology and Pond Culture-based Understanding and Improvement of Metabolic Processes Related to Productivity in Diverse Microalgal Classes for Viable Biofuel Production

The overarching goal of this project was to understand and manipulate fundamental molecular mechanisms involved in maximizing growth rate and lipid accumulation in diverse classes of microalgae under authentic diurnal conditions to enhance production capabilities for biofuels. The research was aimed at filling two critical knowledge gaps by addressing fundamental cellular issues that govern growth and fuel molecule accumulation in conjunction with realistic climate-simulated cultivation: 1) The insufficient understanding of the effect of metabolic topology on cellular carbon partitioning and its regulation with regards to productivity. 2) The understudied effect of the diurnal and cell cycles on cellular metabolism, resource allocation, and resource mobilization under simulated production conditions. To unravel broader as well as lineage-specific regulatory mechanisms that determine productivity, we compared green algae with diatoms. Complementing the systems approach with a pond-based cultivation method under authentic diurnal conditions, we anticipated an understanding of how the effect of diurnal and cell cycles affects growth and lipid productivity. Elucidation of the topology and regulation of relevant metabolic networks in proposed new model organisms was expected to enable improvements in functional capabilities and biosynthetic pathways. The major goals of the project were achieved by the following accomplishments. Genome assemblies and functional annotations for the green algae S. obliquus strain DOE0152Z and Coleastrella sp. strain DOE0202. Development of a metabolic map for the core carbon metabolism for S. obliquus. Analyzed the cellular topology for the core carbon network and proposed differences in core carbon metabolism for the Chlorophyceae versus the Trebouxiophyceae. Discovered the genes for enzymes involved in dicarboxylic acid metabolism and proposed the existence of C4-type metabolism for S. obliquus. Calculated the energy and reducing equivalencies for TAG and isoprenoid biosynthesis based on the core carbon network created in this project. Identified one newly created strain SOM-P004 (UV-Mutagenesis), which performed better at higher culture densities than wild type in LEAPS reactors under simulated environmental conditions. Results obtained within the course of this project were used in 2017 to apply for a Community Science Program (CSP) at the DOE Joint Genome Institute (JGI). The project (JGI Proposal Id: 503423) with the Title “Comparative genomics and germ plasm diversity in Acutodesmus, a green microalgal bioenergy feedstock candidate with potential for breeding and hybridization.” was selected for CSP 2018 for sequencing of up to 30 genomes of the alga A. obliquus (=S. obliquus). Our genome of the strain DOE0152Z serves as a reference for this new CSP project. Characterization of synchronized cultures of Cyclotella cryptica and the implications on productivity. Determination that some cellular pigments respond to light, but others to the cell cycle. Characterization of productivity of C. cryptica in PNNL ponds. Genome sequence and metabolic mapping of Marinichlorella kaistiae KAS603. Demonstration that some green algae store and utilize starch in the cytoplasm. Photorespiratory pathway clarified in T. pseudonana leading to a better understanding of carbon flux pathways in diatoms. Genome sequence determination, annotation, and comparison completed for C. cryptica, identifying potential metabolic differences that lead to high biomass and lipid accumulation ability for this species. Transcriptomic comparison of silicon (Si) and nitrogen (N) limited triacylglycerol accumulation in Cyclotella cryptica.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2019

Biological Electron Transfer and Catalysis Energy Frontier Research Center

The overarching objective of the BETCy EFRC project is to investigate the mechanisms and structural basis controlling electron bifurcation, electron-ion coupling, and redox catalysis in model enzymes. This detailed understanding of how biological systems control and exploit electron flow will be used to develop modular biochemical conversions for the production of hydrocarbon and hydrogen biofuels. This project will conduct an in-depth study of metalloenzyme structure-function relationships that enable retuning of catalytic sites, electron-transfer thermodynamics, and the evolution of tailor-designed chemical reactions involving two model enzymes: hydrogenase and nitrogenase. The center is organized into three major thrust areas: Thrust 1. Energy conservation and electron flow; Thrust 2. ATP-coupled electron transfer; and Thrust 3. Atomic level determinants of enzymatic redox properties and their relationship to catalytic bias. We will develop a collective knowledge in metalloenzymes by applying physical science and computational tools to characterize biochemical reactions catalyzed specifically by multi-subunit enzymes harboring iron-sulfur clusters and flavin cofactors, as models for redox reactions throughout biology. Understanding these mechanisms is central to overcoming the key thermodynamic barriers currently limiting production of reduced products and biofuels. The research plan of the BETCy EFRC has been designed to provide the basis to exploit unique biochemical mechanisms that have yet to be explored substantively in the context of bioenergy but have the potential for game-changing advancement. The successful outcome of this research will be a collection of fundamental principles that serve as a blueprint to enable the tailored re-design of biological systems and enzymes to control matter and energy at the level of electrons and molecules to provide the foundations to create new energy technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Transitioning CMS to Rucio Data Management [Slides]

Rucio is a good match for CMS data management needs. Transitioning an operating experiment at this scale is a non-trivial process. CMS has tested Rucio near the LHC Run 3 scale needed. We expect significant benefits from shared code base and operational experience with ATLAS and others. The final transition will occur in 2020. We expect to collaborate on future development which enable Rucio to function in the HL-LHC era.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Theoretical investigation of surface chemical reactivity of compositionally disordered multi-metallic alloys

Alloys are widely used in both academic and industrial research as heterogeneous catalysts for accelerating technologically important reactions ranging from hydrocarbon reforming, selective hydrogenation, to electrochemical reactions involving hydrogen and oxygen that are fundamental and indispensable to a sustainable future energy infrastructure. Most basic catalysis research has been limited to combinations of two elements that are usually ordered in some manner at the nanoscale because doing so allows observable results to be easily rationalized. It however leaves a huge material space consisting of multi metallic, compositionally disordered alloys unexplored. This research demonstrates a viable theoretical approach combining different types of first principles calculations (including Green’s function-based Korringa–Kohn–Rostoker coherent potential approximation (KKR–CPA) and planewave-based density functional theory) to enable the surface chemical reactivity of compositionally complex alloy surfaces to be investigated. We demonstrate the approach by investigating hydrogen adsorption and evolution on two types of compositionally disordered alloys: a quaternary CoCrFeNi high-entropy alloy, and binary Pt-3d base metal alloys.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Developing High-Flux Ion Soft Landing with Mass-Selection for Improved Cryo-Electron Microscopy

The goal of this project is to redesign and repurpose existing high-flux ion soft-landing (SL) instrumentation developed at PNNL for new structural biology applications by integrating SL, mass-selection/separation of high mass-to-charge species, native mass spectrometry (MS), and cryo-electron microscopy (EM) to generate a workflow enabling structural and functional annotation of proteins and other complex biological samples. Ultimately, this work will result in a new instrument for mass-selection and SL based cryo-EM sample preparation and potentially increase the impact of PNNL and the broader microscopy community through commercial licensing.

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Simulations of Water Flow in Relation to a Steady Criticality in an Unsaturated Alluvial Repository

Oak Ridge National Laboratory (ORNL) is examining the conditions under which a criticality event could be ruled out for large packages placed in an unsaturated alluvial repository. This work specifically examines the water level in a stylized waste package that is assumed (1) to fail on the top, and (2) to empty as water is driven away—not by boiling—but by fluid flow phenomena driven by thermal gradients. This analysis uses the PFLOTRAN code package. Specifically, this year’s work includes examination of the heat rate at which water is driven away for various percolation rates using the same assumptions listed in the 2022 annual report. The STANDARDS (formerly UNF-ST&DARDS) package has predicted dual-purpose canister (DPC) neutron multiplication factors (k-effectives) ranging above 1.1 (unitless) with failed components. The DPC designs were not created with the intent to use for disposal purposes. Emplacing such packages may be worth consideration if it can be shown that criticality is either extremely unlikely or of very low consequence to the repository’s safety case. This work aims to help establish hydrologic boundary conditions for a highly hypothetical, highly stylized subsurface criticality event. The approach to critical is assumed to be slow, producing steady heating rates under a few kilowatts. For a DPC containing capillary media, the simulated power required for dry-out was proportional to the percolation rate but was unaffected by the size of a large breech on top of the DPC. Results for single cases with no capillary media in the DPC suggest that higher infiltration rates may be required in those cases to cause flooding. Bounding mechanisms and assumptions must be identified and characterized further by performing additional perturbations to various input parameters to demonstrate robustness of the results. This might be accomplished by examining responses to power pulses to determine the system transfer function required to enable a reduced order feedback model.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Low-Cost, Easy-To-Integrate and Reliable Grid Energy Storage System with 2 nd Life Lithium Batteries

Batteries retired from electric vehicles have the potential to extend their service as low-cost stationary energy storage systems. However, disperse battery state of health (SOH) and nonuniform battery characters often lead to compromised battery performance and reliability, which greatly hinder their adoption. A Heterogenous Unifying Battery (HUB) system is proposed to stage 2 nd life battery bricks for a period, and enable them to attain improved SOH uniformity, performance, and reliability before being sold for 2 nd life applications, while simultaneously providing grid services. It may offer a technically and economically advantageous solution for the broad utilization of 2 nd use batteries. The goal of this project was to develop the hardware and software that enables the key functions of the HUB system. The first achievement of the project was the development of a 1kW scale proof-of-concept (POC) system, which comprises (i) a modular plug-n-play DC-DC power converter matrix with isolated series output connections to achieve fully independent control of energy flow to each of the connected battery units at low voltage; (ii) enhanced model based control that drives each batteries’ SOH towards uniformity while collectively providing grid energy storage services; and (iii) comprehensive procedures to perform battery diagnostics and prognostics. The second achievement was the development of a 100kW scale HUB system and demonstrated its performance of re-establishing battery SOH uniformity through a period of battery cycling operation. The final HUB system incorporates six DC-DC power converter matrices paired with six battery bricks. Hot swapping of a single battery brick while maintaining consistent system power was demonstrated and system operation was validated to be capable of implementing the approved grid duty cycle and of balancing and conditioning the battery bricks. Through the course of the project, the team optimized the building-block design, form-factors, and adjusted life balancing control. An up-sized 250kW Scale was developed and deployed in October 2022 with pack-level battery form factors, see photo in Figure 1 The third achievement of the project was to perform a techno-economic analysis in order to better understand the cost and revenue potentials in this new “recondition-then-resell" value proposition. The final TEA quantified the economics of new Li-ion batteries as well as second-life batteries processed via reconditioning and traditional binning. Results showed the reconditioned second-life batteries in this project to be economically favorable and viable in grid energy storage markets. The TEA results were published in the Applied Energy journal. The fourth achievement of the project was to deliver a tech-to-market plan for the HUB system that includes funding, IP, and manufacturing strategies. The final T2M plan outlines a business strategy in which the HUB provides a B2B service to EV companies as an alternative to battery recycling that can prepare batteries for 2nd life applications. A company named Smartville Inc. was founded to carry on the commercialization, funding, and technical IP licensing activities of the OPEN project.

25 ENERGY STORAGE↗

DOE OSTI2016

Redshift Measurement and Spectral Classification for eBoss Galaxies with the Redmonster Software

“Cosmological redshift surveys” are experiments conducted with astronomical telescopes, imagers, and spectrographs, which map the three-dimensional structure of the universe on the largest scales. These maps are delineated by the positions of galaxies, quasars, and intergalactic hydrogen clouds. When interpreted in the context of Einstein’s theory of gravity, these maps can be used to infer the nature of the contents of the universe, including the mysterious “dark energy” that is driving the expansion of the universe to accelerate. While the directional positions of galaxies and other objects can be measured directly in images of the sky, the third dimension of their position (i.e., their distance from the Earth and the Milky Way Galaxy) must be measured by spectrographs that distribute their light as a function of frequency, enabling a measurement of their cosmological Doppler shift (or “redshift”), which serves as an observable proxy for distance. The largest cosmological redshift surveys, such as the “eBOSS” experiment of the fourth Sloan Digital Sky Survey, collect spectroscopic data for hundreds of thousands to millions of galaxies. Future experiments such as the Dark Energy Spectroscopic Instrument will in turn collect tens of millions of spectra. To be feasible, redshift measurement methods in datasets of this scale must be made with automated software. This paper describes the algorithms, astrophysical templates, and implementation of a new redshift measurement software package that is optimized to run on large numbers of spectra with relatively low signal-to-noise ratio, typical of the most ambitious current and future cosmological redshift surveys. The software is demonstrated on spectroscopic data from the eBOSS survey, with performance that meets the scientific requirements of that experiment. The software is implemented in a general framework that will allow application to spectra from the DESI project in the future.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Structures of diverse poxin cGAMP nucleases reveal a widespread role for cGAS-STING evasion in host–pathogen conflict

DNA viruses in the family Poxviridae encode poxin enzymes that degrade the immune second messenger 2'3'-cGAMP to inhibit cGAS-STING immunity in mammalian cells. The closest homologs of poxin exist in the genomes of insect viruses suggesting a key mechanism of cGAS-STING evasion may have evolved outside of mammalian biology. Here we use a biochemical and structural approach to discover a broad family of 369 poxins encoded in diverse viral and animal genomes and define a prominent role for 2'3'-cGAMP cleavage in metazoan host-pathogen conflict. Structures of insect poxins reveal unexpected homology to flavivirus proteases and enable identification of functional self-cleaving poxins in RNA-virus polyproteins. Our data suggest widespread 2'3'-cGAMP signaling in insect antiviral immunity and explain how a family of cGAS-STING evasion enzymes evolved from viral proteases through gain of secondary nuclease activity. Poxin acquisition by poxviruses demonstrates the importance of environmental connections in shaping evolution of mammalian pathogens.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1977

Continuous-data FIFO bubble shift register

Simple loop first-in-first-out (FIFO) bubble memory shift register has continuous storage capability. Bubble shift register simplifies chip-control electronics by enabling all control functions to be alined at same bit. FIFO shift register is constructed from passive replicator and annihilator combinations.

Chen, T. T.↗

NASA NTRS1985

Heterogeneous distributed query processing: The DAVID system

The objective of the Distributed Access View Integrated Database (DAVID) project is the development of an easy to use computer system with which NASA scientists, engineers and administrators can uniformly access distributed heterogeneous databases. Basically, DAVID will be a database management system that sits alongside already existing database and file management systems. Its function is to enable users to access the data in other languages and file systems without having to learn the data manipulation languages. Given here is an outline of a talk on the DAVID project and several charts.

Jacobs, Barry E.↗

NASA NTRS1993

Prestressed Composite Parts

Matrix/fiber structural components strengthened by prestressing, according to proposal, increasing effective tensile strengths of components and enabling components to function in applications in which they otherwise fail. Reinforcing fibers stretched while encapsulated in matrix. After encapsulation, fibers released, placing matrix in lengthwise compression. Variety of fiber/matrix combinations fabricated this way. Prestressed quartz fibers encapsulated in ceramic matrix. Resulting composite used to make blade for gas turbine. Ceramic, normally weak in tension, has high strength and endures high temperature.

Surls, Michael M.↗

NASA NTRS1988

Effects of dietary amino acids, carbohydrates, and choline on neurotransmitter synthesis

The ability of a meal to increase or decrease brain neurotransmitter synthesis has been studied. It is concluded that brain serotonin synthesis is directly controlled by the proportions of carbohydrate to protein in meals and snacks that increase or decrease brain tryptophan levels, thereby changing the substrate saturation of tryptophan hydroxylase and the rate of serotonin synthesis. The ability of serotoninergic neurons to have their output coupled to dietary macronutrients enables them to function as sensors of peripheral metabolism, and to subserve an important role in the control of appetite. The robust and selective responses of catecholaminergic and cholinergic neurons to supplemental tyrosine and choline suggest that these compounds may become useful as a new type of drug for treating deseases or conditions in which adequate quantities of the transmitter would otherwise be unavailable.

Wurtman, Richard J.↗