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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Device for residue handling minimization with vacuum-assisted separations

A device for collection of residue from separation columns. A manifold provides for multiple sample ports that are fluidly connected to a vacuum port by at least one channel. Residue from the separation columns is pulled through the sample ports, into the channel, and then to the vacuum port. From the vacuum port the residue can be moved, under the force of the vacuum, directly to a drain or to a collection vessel connected with a drain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

D2NO: Efficient handling of heterogeneous input function spaces with distributed deep neural operators

Neural operators have been applied in various scientific fields, such as solving parametric partial differential equations, dynamical systems with control, and inverse problems. However, challenges arise when dealing with input functions that exhibit heterogeneous properties, requiring multiple sensors to handle functions with minimal regularity. To address this issue, discretization-invariant neural operators have been used, allowing the sampling of diverse input functions with different sensor locations. However, existing frameworks still require an equal number of sensors for all functions. We propose a novel distributed approach to further relax the discretization requirements and solve the heterogeneous dataset challenges. Our method involves partitioning the input function space and processing individual input functions using independent and separate neural networks. A centralized neural network is used to handle shared information across all output functions. This distributed methodology reduces the number of gradient descent back-propagation steps, improving efficiency while maintaining accuracy. Here, we demonstrate that the corresponding neural network is a universal approximator of continuous nonlinear operators and present three numerical examples to validate its performance.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

In situ macromolecular crystallography using microbeams

A sample environment for mounting crystallization trays has been developed on the microfocus beamline I24 at Diamond Light Source. The technical developments and several case studies are described. Despite significant progress in high-throughput methods in macromolecular crystallography, the production of diffraction-quality crystals remains a major bottleneck. By recording diffraction in situ from crystals in their crystallization plates at room temperature, a number of problems associated with crystal handling and cryoprotection can be side-stepped. Using a dedicated goniometer installed on the microfocus macromolecular crystallography beamline I24 at Diamond Light Source, crystals have been studied in situ with an intense and flexible microfocus beam, allowing weakly diffracting samples to be assessed without a manual crystal-handling step but with good signal to noise, despite the background scatter from the plate. A number of case studies are reported: the structure solution of bovine enterovirus 2, crystallization screening of membrane proteins and complexes, and structure solution from crystallization hits produced via a high-throughput pipeline. These demonstrate the potential for in situ data collection and structure solution with microbeams.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Uncertainty-aware particle segmentation for electron microscopy at varied length scales

Electron microscopy is indispensable for examining the morphology and composition of solid materials at the sub-micron scale. To study the powder samples that are widely used in materials development, scanning electron microscopes (SEMs) are increasingly used at the laboratory scale to generate large datasets with hundreds of images. Parsing these images to identify distinct particles and determine their morphology requires careful analysis, and automating this process remains challenging. In this work, we enhance the Mask R-CNN architecture to develop a method for automated segmentation of particles in SEM images. We address several challenges inherent to measurements, such as image blur and particle agglomeration. Moreover, our method accounts for prediction uncertainty when such issues prevent accurate segmentation of a particle. Recognizing that disparate length scales are often present in large datasets, we use this framework to create two models that are separately trained to handle images obtained at low or high magnification. By testing these models on a variety of inorganic samples, our approach to particle segmentation surpasses an established automated segmentation method and yields comparable results to the predictions of three domain experts, revealing comparable accuracy while requiring a fraction of the time. These findings highlight the potential of deep learning in advancing autonomous workflows for materials characterization.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Nuclear photonics at ultra-high counting rates and higher multipole excitations

Next-generation {gamma} beams from laser Compton-backscattering facilities like ELI-NP (Bucharest)] or MEGa-Ray (Livermore) will drastically exceed the photon flux presently available at existing facilities, reaching or even exceeding 10{sup 13}{gamma}/sec. The beam structure as presently foreseen for MEGa-Ray and ELI-NP builds upon a structure of macro-pulses ({approx}120 Hz) for the electron beam, accelerated with X-band technology at 11.5 GHz, resulting in a micro structure of 87 ps distance between the electron pulses acting as mirrors for a counterpropagating intense laser. In total each 8.3 ms a {gamma} pulse series with a duration of about 100 ns will impinge on the target, resulting in an instantaneous photon flux of about 10{sup 18}{gamma}/s, thus introducing major challenges in view of pile-up. Novel {gamma} optics will be applied to monochromatize the {gamma} beam to ultimately {Delta}E/E{approx}10{sup -6}. Thus level-selective spectroscopy of higher multipole excitations will become accessible with good contrast for the first time. Fast responding {gamma} detectors, e.g. based on advanced scintillator technology (e.g. LaBr{sub 3}(Ce)) allow for measurements with count rates as high as 10{sup 6}-10{sup 7}{gamma}/s without significant drop of performance. Data handling adapted to the beam conditions could be performed by fast digitizing electronics, able to sample data traces during the micro-pulse duration, while the subsequent macro-pulse gap of ca. 8 ms leaves ample time for data readout. A ball of LaBr{sub 3} detectors with digital readout appears to best suited for this novel type of nuclear photonics at ultra-high counting rates.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

Critical review of gamma spectrometry detection approaches for in-plant surface deposition monitoring

Surface deposition of activated corrosion product on oxide layers of light-water reactor primary system components is the primary source for ex-core radiation fields and personnel radiation exposure. Understanding the deposition mechanism and what factors influence the deposition and release behaviors are crucial for developing effective radiation field reduction measures. One of the available tools to assess the surface deposition is in-plant gamma spectrometry, which has been performed for several decades using either sodium iodide (NaI) or high-purity germanium (HPGe) detectors. Lately, the much more mobile cadmium-zinc-telluride (CZT) detectors are increasingly employed by stations because of their ease in use and handling. However, all of these gamma detectors face the same challenges; namely large-geometry samples of inconsistent sample compositions and sometimes gaps in the information necessary to establish proper efficiency calibrations. This paper reviews current measurements and efficiency calibration approaches taken in the industry. The validity of the measurement results and the feasibility of the data's use in understanding source term behavior is examined. Suggestions are made for the development of a more robust deposit characterization and radiation field monitoring program. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2011

Monoolein lipid phases as incorporation and enrichment materials for membrane protein crystallization.

The crystallization of membrane proteins in amphiphile-rich materials such as lipidic cubic phases is an established methodology in many structural biology laboratories. The standard procedure employed with this methodology requires the generation of a highly viscous lipidic material by mixing lipid, for instance monoolein, with a solution of the detergent solubilized membrane protein. This preparation is often carried out with specialized mixing tools that allow handling of the highly viscous materials while minimizing dead volume to save precious membrane protein sample. The processes that occur during the initial mixing of the lipid with the membrane protein are not well understood. Here we show that the formation of the lipidic phases and the incorporation of the membrane protein into such materials can be separated experimentally. Specifically, we have investigated the effect of different initial monoolein-based lipid phase states on the crystallization behavior of the colored photosynthetic reaction center from Rhodobacter sphaeroides. We find that the detergent solubilized photosynthetic reaction center spontaneously inserts into and concentrates in the lipid matrix without any mixing, and that the initial lipid material phase state is irrelevant for productive crystallization. A substantial in-situ enrichment of the membrane protein to concentration levels that are otherwise unobtainable occurs in a thin layer on the surface of the lipidic material. These results have important practical applications and hence we suggest a simplified protocol for membrane protein crystallization within amphiphile rich materials, eliminating any specialized mixing tools to prepare crystallization experiments within lipidic cubic phases. Furthermore, by virtue of sampling a membrane protein concentration gradient within a single crystallization experiment, this crystallization technique is more robust and increases the efficiency of identifying productive crystallization parameters. Finally, we provide a model that explains the incorporation of the membrane protein from solution into the lipid phase via a portal lamellar phase.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2013

Integrated Predictive Demand Response Controller for Commercial Buildings (Final Scientific Technical Report)

This project provides algorithms to perform demand response using the thermal mass of a building. Using the thermal mass of the building is an attractive method for performing demand response because there is no need for capital expenditure. The algorithms rely on the thermal capacitance inherent in the building’s construction materials. A near-optimal “day ahead” predictive approach is developed that is meant to keep the building’s electrical demand constant during the high cost periods. This type of approach is appropriate for both time-of-use and critical peak pricing utility rate structures. The approach uses the past days data in order to determine the best temperature setpoints for the building during the high price periods on the next day. A second “model predictive approach” (MPC) uses a thermal model of the building to determine the best temperature for the next sample period. The approach uses constant feedback from the building and is capable of appropriately handling real time pricing. Both approaches are capable of using weather forecasts to improve performance. Algorithm performance was tested on a municipal library in Sacramento, CA and a large office building in Milwaukee, WI. In both cases the algorithms were capable of storing thermal energy in the building mass in such a way that the electrical demand was reduced during periods of high cost.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2014

Demonstration of the Viability and Evaluation of Production Costs for Biomass-Infused Coal Briquettes

This project was split into four main areas, first to identify the best combination of coal and biomass, second, create and test lab quantity of preferred combinations, Third, create a sizeable quantity for larger scale handling and consuming analysis and fourth, to provide analysis for a commercial scale production capacity. Samples of coal and biomass were collected. Five coals, representing the three major coal ranks, were collected including one bituminous, two sub-bituminous, and two lignite samples. In addition, three square bales (~50 lbs/bale) each of corn Stover and switch grass were collected with one bale of each sample processed through a hammer mill to approximately -5 mesh. A third sample of sawdust was collected once experimentation began at the University of Kentucky. Multiple combinations of coal and biomass; coal, biomass, with biomass binder, were tested until a formulation was identified that could meet the requirement criteria. Based on the results of the binderless briquetting evaluations, the CS/Sub-bit combinations was selected for extended evaluation at a 10% biomass addition rate while the WS/Bitum combination was selected for extended evaluation at a 30% biomass-addition rate. With the final results of the selection process complete, the CoalTek continuous production pilot plant in Tucker GA was outfitted with the specialized blending equipment and two 1/4 ton production runs of biomass and binder subbituminous coal briquettes were completed. These briquettes were later used for a calorific test burn at the University of North Dakota. The first formulation included subbituminous coal, corn stover and a corn starch binder the second formulation included subbituminous coal, wheat stover and corn starch binder.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS2012

Innovative Video Diagnostic Equipment for Material Science

Materials science experiments under microgravity increasingly rely on advanced optical systems to determine the physical properties of the samples under investigation. This includes video systems with high spatial and temporal resolution. The acquisition, handling, storage and transmission to ground of the resulting video data are very challenging. Since the available downlink data rate is limited, the capability to compress the video data significantly without compromising the data quality is essential. We report on the development of a Digital Video System (DVS) for EML (Electro Magnetic Levitator) which provides real-time video acquisition, high compression using advanced Wavelet algorithms, storage and transmission of a continuous flow of video with different characteristics in terms of image dimensions and frame rates. The DVS is able to operate with the latest generation of high-performance cameras acquiring high resolution video images up to 4Mpixels@60 fps or high frame rate video images up to about 1000 fps@512x512pixels.

Capuano, G.↗
NASA NTRSDate not supplied

Assessing the Oxygen Permeability of Candidate Asteroid Sample Containers With Optochemical Sensors

The Astromaterials Acquisition and Curation Office at NASA Johnson Space Center currently curates 500 mg (10%) of carbonaceous asteroid Ryugu regolith collected by the Japan Aerospace and Exploration Agency’s Hayabusa II spacecraft and returned to Earth in 2021. In September 2023, NASA’s OSIRIS-REx spacecraft returned at least 70 grams of regolith collected from the surface of Carbonaceous Asteroid Bennu. These new astromaterials collections are stored and handled in gloveboxes and desiccators that are continuously purged with ultrapure nitrogen in order to minimize contamination and alteration of extraterrestrial samples from terrestrial environments, e.g., reaction with terrestrial oxygen and water. Ito et al. have previously reported on the development of containers to transport samples between facilities in inert, sealed environments; Hayabusa2 samples allocated to investigators by JAXA’s Extraterrestrial Sample Curation Center (ESCuC) are shipped in these Facility-to-Facility Transfer Containers (FFTCs). NASA curation has also been investigating sealed containers for storage, transportation, and allocation of Bennu and Ryugu regolith in sealed anoxic environments. In order to assess the ability of candidate sample containers to maintain nitrogen environments, we have utilized optochemical sensors to measure trace oxygen levels within sealed volumes.

C J Snead↗
DOE OSTI2018

Design of a facility for the in situ measurement of catalytic reaction by neutron scattering spectroscopy

Catalysis is a critical enabling science for future energy needs. The next frontier of catalysis is to evolve from catalyst discovery to catalyst design, and for this next step to be realized, we must develop new techniques to better understand reaction mechanisms. To do this, we must connect catalytic reaction rates and selectivities to the kinetics, energetics, and dynamics of individual elementary steps and relate these to the structure and dynamics of the catalytic sites involved. Neutron scattering spectroscopies offer unique capabilities that are difficult or impossible to match by other techniques. Additionally, the current study presents the development of a compact and portable instrumental design that enables the in situ investigation of catalytic samples by neutron scattering techniques. The developed apparatus was tested at the Spallation Neutron Source (SNS) in Oak Ridge National Laboratory and includes a gas handling panel that allows for computer hookups to control the panel externally and online measurement equipment such as coupled GC-FID/TCD (Gas Chromatography-Flame Ionization Detector/Thermal Conductivity Detector) and MS (Mass Spectrometry) to characterize offgassing while the sample is in the neutron scattering spectrometer. This system is flexible, modular, compact, and portable enabling its use for many types of gas-solid and liquid-solid reactions at the various beamlines housed at the SNS.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

Mercury Speciation in Savannah River Site High-Level Waste: Determination and Implications for Waste Handling and Disposal - 16178

As part of a larger program to address mercury issues at the Savannah River Site, a number of samples from across the salt processing flowsheet have been collected and analyzed for several mercury species. The results indicate the presence of organomercury species, predominately methylmercury cation. This result was not expected, and it represents a significant paradigm shift in the understanding of mercury chemistry in high-level tank waste. Concentrations of total and soluble mercury have been measured as high as 0.5 g/L with methylmercury concentrations of at least fifty percent of that value. The distribution of mercury species being observed have ramifications to waste processing strategies. In particular, the mercury behavior across the cesium solvent extraction process has been examined. Leachates, from toxicity testing of the cementitious waste form used for decontaminated salt waste at Savannah River, have been tested and shows methylmercury as the dominant extractable species. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1995

Carbon isotopic analysis of atmospheric methane by isotope-ratio-monitoring gas chromatography-mass spectrometry

Less than 15 min are required for the determination of delta C(sub PDB)-13 with a precision of 0.2 ppt(1 sigma, single measurement) in 5-mL samples of air containing CH4 at natural levels (1.7 ppm). An analytical system including a sample-introduction unit incorporating a preparative gas chromatograph (GC) column for separation of CH4 from N2, O2, and Ar is described. The 15-min procedure includes time for operation of that system, high-resolution chromatographic separation of the CH4, on-line combustion and purification of the products, and isotopic calibration. Analyses of standards demonstrate that systematic errors are absent and that there is no dependence of observed values of delta on sample size. For samples containing 100 ppm or more CH4, preconcentration is not required and the analysis time is less than 5 min. The system utilizes a commercially available, high-sensitivity isotope-ratio mass spectrometer. For optimal conditions of smaple handling and combustion, performance of the system is within a factor of 2 of the shot-noise limit. The potential exists therefore for analysis of samples as small as 15 pmol CH4 with a standard deviation of less than 1 ppt.

Merritt, Dawn A.↗
DOE OSTI2012

Defining the Boundaries and Characterizing the Landscape of Genome Expression in Vascular Tissues of Populus using Shotgun Proteomics

Current state-of-the-art experimental and computational proteomic approaches were integrated to obtain a comprehensive protein profile of Populus vascular tissue. This featured: 1) a large sample set consisting of two genotypes grown under normal and tension stress conditions, 2) bioinformatics clustering to effectively handle gene duplication, and 3) an informatics approach to track and identify single amino acid polymorphisms (SAAPs). By applying a clustering algorithm to the Populus database, the number of protein entries decreased from 64,689 proteins to a total of 43,069 protein groups, thereby reducing 7,505 identified proteins to a total of 4,226 protein groups, in which 2,016 were singletons. This reduction implies that ~50% of the measured proteins were clustered into groups that shared extensive sequence homology. Using conservative search criteria, we were able to identify 1,354 peptides containing a SAAP and 201 peptides that become tryptic due to a K or R substitution. These newly identified peptides correspond to 502 proteins, including 97 proteins that were not previously identified. In total, the integration of deep proteome measurements on an extensive sample set with protein clustering and peptide sequence variants provided an unprecedented level of proteome characterization for Populus, allowing us to spatially resolve the vascular tissue proteome.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

All polymer microfluidic chips—A fixed target sample delivery workhorse for serial crystallography

The development of x-ray free electron laser (XFEL) light sources and serial crystallography methodologies has led to a revolution in protein crystallography, enabling the determination of previously unobtainable protein structures and near-atomic resolution of otherwise poorly diffracting protein crystals. However, to utilize XFEL sources efficiently demands the continuous, rapid delivery of a large number of difficult-to-handle microcrystals to the x-ray beam. A recently developed fixed-target system, in which crystals of interest are enclosed within a sample holder, which is rastered through the x-ray beam, is discussed in detail in this Perspective. The fixed target is easy to use, maintains sample hydration, and can be readily modified to allow a broad range of sample types and different beamline requirements. Recent innovations demonstrate the potential of such microfluidic-based fixed targets to be an all-around “workhorse” for serial crystallography measurements. In conclusion, this Perspective will summarize recent advancements in microfluidic fixed targets for serial crystallography, examine needs for future development, and guide users in designing, choosing, and utilizing a fixed-target sample delivery device for their system.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Building fault detection and diagnostics: Achieved savings, and methods to evaluate algorithm performance

Fault detection and diagnosis (FDD) represents one of the most active areas of research and commercial product development in the buildings industry. This paper addresses two questions concerning FDD implementation and advancement 1) What are today's users of FDD saving and spending on the technology? 2) What methods and datasets can be used to evaluate and benchmark FDD algorithm performance? Relevant to the first question, 26 organizations that use FDD across a total 550 buildings and 97 M sf achieved median savings of 8%. Twenty-seven FDD users reported that the median base cost for FDD software, annual recurring software cost, and annual labor cost were $8, $2.7 and $8 per monitoring point, with a median implementation size of approximately 1300 points. To address the second question, this paper describes a systematic methodology for evaluating the performance of FDD algorithms, curates an initial test dataset of air handling unit (AHU) system faults, and completes a trial to demonstrate the evaluation process on three sample FDD algorithms. The work provided a first step toward a standard evaluation of different FDD technologies. Finally, it showed the test methodology is indeed scalable and repeatable, provided an understanding of the types of insights that can be gained from algorithm performance testing, and highlighted the priorities for further expanding the test dataset.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Information-incorporated gene network construction with FDR control

Abstract Motivation Large-scale gene expression studies allow gene network construction to uncover associations among genes. To study direct associations among genes, partial correlation-based networks are preferred over marginal correlations. However, FDR control for partial correlation-based network construction is not well-studied. In addition, currently available partial correlation-based methods cannot take existing biological knowledge to help network construction while controlling FDR. Results In this paper, we propose a method called Partial Correlation Graph with Information Incorporation (PCGII). PCGII estimates partial correlations between each pair of genes by regularized node-wise regression that can incorporate prior knowledge while controlling the effects of all other genes. It handles high-dimensional data where the number of genes can be much larger than the sample size and controls FDR at the same time. We compare PCGII with several existing approaches through extensive simulation studies and demonstrate that PCGII has better FDR control and higher power. We apply PCGII to a plant gene expression dataset where it recovers confirmed regulatory relationships and a hub node, as well as several direct associations that shed light on potential functional relationships in the system. We also introduce a method to supplement observed data with a pseudogene to apply PCGII when no prior information is available, which also allows checking FDR control and power for real data analysis. Availability and implementation R package is freely available for download at https://cran.r-project.org/package=PCGII.

59 BASIC BIOLOGICAL SCIENCES↗