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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Scaling Up Data-Parallel Analytics Platforms: Linear Algebraic Operation Cases

Linear algebraic operations such as matrix manipulations form the kernel of many machine learning and other crucial algorithms. Scaling up as well as scaling out such algorithms are key to supporting large scale data analysis that require efficient processing over millions of data samples. To this end, we present, ARION, a hardware acceleration based approach for scaling-up individual tasks of Spark, a popular data-parallel analytics platform. We support both linear algebraic operations of between two dense matrices, and between sparse and dense matrices in distributed environments. ARION provides a flexible control of acceleration according to matrix density, along with efficient scheduling based on runtime resource utilization. We demonstrate the benefit of our approach for general matrix multiplication operations over large matrices with up to four billion elements by using Gramian matrix computation that is commonly used in machine learning. Experiments show that our approach achieves more than 2× and 1.5× end-to-end performance speedups for dense and sparse matrices, respectively, and up to 57.04× faster computation compared to MLlib, a state of the art Spark-based implementation. This work is sponsored in part by the NSF under the grants: CNS-1565314, CNS-1405697, and CNS-1615411. The manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan). This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725.

Xu, Luna↗
DOE OSTI2019

Total Mercury Analysis Comparison: Deployment of Analytical Method for the Savannah River Site Liquid Waste System

A direct mercury analyzer (DMA; EPA 7473) and Cold Vapor Atomic Absorption Spectroscopy (CVAAS; EPA 245.2) have been used to analyze samples high in methylmercury and other forms of mercury with oxidation states of Hg o (elemental), Hg 1+ (mercurous), and/or Hg 2+ (mercuric) to determine analytical data equivalency for total mercury. The DMA instrument has been determined to be the preferred method based on both simulated and radioactive sample testing due to analytical results and ease of use in a radiological hood. SRNL made a number of modifications to the DMA instrument and analysis method to limit the amount of time personnel are required to work in a radiological environment. Equivalency is based on comparative statistical evaluation of the results from: spike solutions/simulants, Tank 50 samples, Mixed Analyte Performance Evaluation Program (MAPEP) samples, and Modular Caustic-Side Solvent Extraction Unit (MCU) solvent samples. SRNL performed a cross-comparison of results using CVAAS, DMA, and Inductively Coupled Plasma Mass Spectrometer (ICP-MS), as well as independent analysis from an offsite laboratory (using cold vapor sample processing with atomic fluorescence detection, EPA 1631). All data were within the combined uncertainty (2σ ± 20%) of the CVAAS and DMA methods

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Determination of Total, Organic, and Inorganic Carbon in Biological Cultures and Liquid Fraction Process Samples

This procedure describes a method for analyzing dissolved and suspended total carbon, in organic and inorganic form in biological cultures, in the presence or absence of cells, and liquid fraction conversion process samples. This method calculates total organic carbon by subtraction of inorganic carbon, derived from sample acidification, from total dissolved carbon by combustion at 680°C with detection of derived gaseous CO 2 by a non-dispersive infrared (NDIR) sensor. The inclusion of details on a process step of heat treating biologically active samples before analysis can potentially halt biological activity, preserving carbon stores and allowing for accurate quantification of the carbon content at the time of sample collection.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Human Lung Fibroblast Response to HCoV-229E Infection, Top-down Proteomics of Histones (ACS-TZ-DP7)

The purpose of this experiment was to evaluate the human host cellular response to wild type human coronavirus strain 229E (HCoV-229E) infection, specifically how histones are modified following infection. Sample data was obtained from mock-infected and HCoV-229E-infected immortalized human lung fibroblasts (MRC-5) (MOI 3). Whole cell lysates were collected at 24 hours post infection and histones from all samples were enriched and were processed for proteoform identification analysis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Laser-driven hydrothermal processing: a new, efficient technique to effect separation of silica from other oxides for analysis

We report on what appeared to be an unstudied regime of laser-matter interactions, when modest-intensity, modest-fluence laser pulses struck weakly-absorbing, silica-rich material that was submerged in water: material was efficiently removed from the surface and colorless particles were left behind, decorating crater's surface. One explanation for this color loss was a transient dissolution of the material, due to the pressure and temperature pulse caused by the laser absorption and thermally-driven expansion of the material. Yet, other explanations were possible. Here, we have studied this process with laser intensity and fluence so low that no crater was formed, when a sample of natural quartzite rock was submerged in deionized water and illuminated with 40 MW cm –2 , 527 nm laser pulses. After one hundred laser pulses, the treated surface of the originally colored quartzite was colorless. We cut the quartzite in cross section and examined the colorless material on the surface with x-ray fluorescence. We report that the transition element Fe was found to be significantly depleted in this colorless layer, while Si was not. This bolsters the hypothesis that the laser exposure led to a transient hydrothermal dissolution of the material, followed by a recrystallization process of the SiO 2 that preferentially released iron oxides into the submerging water.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The Integration of Plant Sample Analysis, Laboratory Studies, and Thermodynamic Modeling to Predict Slag-Matte Equilibria in Nickel Sulfide Converting

The Kalgoorlie Nickel Smelter (KNS) produces low Fe, low Cu nickel matte in its Peirce–Smith converter operations. To inform process development in the plant, new fundamental data are required on the effect of CaO in slag on the distribution of arsenic between slag and matte. A combination of plant sample analysis, high-temperature laboratory experiments, and thermodynamic modeling was carried out to identify process conditions in the converter and to investigate the effect of slag composition on the chemical behavior of the system. The high-temperature experiments involved re-equilibration of industrial matte-slag-lime samples at 1498 K (1225 °C) and P(SO{sub 2}) = 0.12 atm on a magnetite/quartz substrate, rapid quenching in water, and direct measurement of phase compositions using electron probe X-ray microanalysis (EPMA) and laser ablation–inductively coupled plasma–mass spectrometry (LA-ICP-MS). A private thermodynamic database for the Ca-Cu-Fe-Mg-Ni-O-S-Si-(As) system was used together with the FactSage software package to assist in the analysis. Thermodynamic predictions combined with plant sample characterization and the present experimental data provide a quantitative basis for the analysis of the effect of CaO fluxing on the slag-matte thermochemistry during nickel sulfide converting, in particular on the spinel liquidus and the distribution of elements between slag and matte as a function of CaO addition.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Binning is Sinning: Redemption for Hubble Diagram Using Photometrically Classified Type Ia Supernovae

Bayesian Estimation Applied to Multiple Species (BEAMS) is implemented in the BEAMS with Bias Corrections (BBC) framework to produce a redshift-binned Hubble diagram (HD) for Type Ia supernovae (SNe Ia). BBC corrects for selection effects and non–SN Ia contamination, and systematic uncertainties are described by a covariance matrix with dimension matching the number of BBC redshift bins. For spectroscopically confirmed SN Ia samples, a recent "Binning is Sinning" article showed that an unbinned HD and covariance matrix reduces the systematic uncertainty by a factor of ~1.5 compared to the binned approach. Here we extend their analysis to obtain an unbinned HD for a photometrically identified sample processed with BBC. To test this new method, we simulate and analyze 50 samples corresponding to the Dark Energy Survey (DES) with a low-redshift anchor; the simulation includes SNe Ia, and contaminants from core-collapse SNe and peculiar SNe Ia. The analysis includes systematic uncertainties for calibration and measures the dark energy equation of state parameter (w). Compared to a redshift-binned HD, the unbinned HD with nearly 2000 events results in a smaller systematic uncertainty, in qualitative agreement with BHS21, and averaging results among the 50 samples we find no evidence for a w-bias. To reduce computation time for fitting an unbinned HD with large samples, we propose an HD-rebinning method that defines the HD in bins of redshift, color, and stretch; the rebinned HD results in similar uncertainty as the unbinned case, and shows no evidence for a w-bias.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Rapid and automated separation of uranium ore concentrates for trace element analysis by inductively coupled plasma – optical emission spectroscopy/triple quadrupole mass spectrometry

The present study documents an automated approach to performing elemental analysis on a large group uranium ore concentrate (UOC) samples. In this work, 17 UOC samples, 2 quality control samples, and 26 process blanks were purified sequentially through a single 500 μL Uranium and TEtra Valent Actinides (UTEVA®) column. For each sample, the trace elemental impurities were separated from its dissolved uranium matrix on the UTEVA column and collected for analysis by inductively coupled plasma – optical emission spectroscopy / triple quadrupole mass spectrometry (ICP-OES/TQMS). The UTEVA column was subsequently regenerated prior to separation of the following sample. The column was efficiently regenerated, for each UOC, even after processing ~50 mg of uranium, cumulatively. The validity of the method was established by determining the trace impurities of two quality control uranium reference samples (CRM 124–1 and CUP-2). The current trace element measurements from the 17 UOC samples were compared to previously reported values from an interlaboratory comparison exercise, when available. The methodology employed here produces trace elemental analysis with excellent correlation to the previously reported data for many of the elements / samples, particularly when viewed through the context of existing geochemical comparisons tools (e.g. chondrite normalized variation plots).

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

Summary Report for the Analysis of the Sludge Batch 7b (Macrobatch 9) DWPF Pour Stream Glass Sample for Canister S04023

In order to comply with the Defense Waste Processing Facility (DWPF) Waste Form Compliance Plan for Sludge Batch 7b, Savannah River National Laboratory (SRNL) personnel characterized the Defense Waste Processing Facility (DWPF) pour stream (PS) glass sample collected while filling canister S04023. This report summarizes the results of the compositional analysis for reportable oxides and radionuclides and the normalized Product Consistency Test (PCT) results. The PCT responses indicate that the DWPF produced glass that is significantly more durable than the Environmental Assessment glass. Results and further details are documented in SRNL-STI-2013-00462, Revision 1 “Analysis of the DWPF Sludge Batch 7b (Macrobatch 9) Pour Stream Glass Sample.”

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Measuring Nd(III) Solution Concentration in the Presence of Interfering Er(III) and Cu(II) Ions: A Partial Least Squares Analysis of Ultraviolet–Visible Spectra

Optical spectroscopy is a powerful characterization tool with applications ranging from fundamental studies to real-time process monitoring. However, it can be difficult to apply to complex samples that contain interfering analytes which are common in processing streams. Multivariate (chemometric) analysis has been examined for providing selectivity and accuracy to the analysis of optical spectra and expanding its potential applications. Here we will discuss chemometric modeling with an in-depth comparison to more simplistic analysis approaches and outline how chemometric modeling works while exploring the limits on modeling accuracy. Understanding the limitations of the chemometric model can provide better analytical assessment regarding the accuracy and precision of the analytical result. This will be explored in the context of UV–Vis absorbance of neodymium (Nd 3+ ) in the presence of interferents, erbium (Er 3+ ) and copper (Cu 2+ ) under conditions simulating the liquid–liquid extraction approach used to recycle plutonium (Pu) and uranium (U) in used nuclear fuel worldwide. Finally, the selected chemometric model, partial least squares regression, accurately quantifies Nd 3+ with a low percentage error in the presence of interfering analytes and even under conditions that the training set does not describe.

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

Quantifying replication through repeated analysis of UVM-A, a liquid reference material for cosmogenic 10 Be and 26 Al studies

In this study, in-situ produced cosmogenic nuclide sample preparation and analysis is a complicated, multi-step process with numerous possible sources of error, many of which have not been robustly quantified. Here, we use a liquid reference material (UVM-A) to test whether the analytic precision associated with individual isotopic ratios (n = 96) measured at two Accelerator Mass Spectrometry facilities (Lawrence Livermore National Laboratory and Purdue Rare Isotope Measurement Laboratory) accurately represents the range of values determined for aliquots prepared in a single laboratory over a period of five years. We find that 10 Be/ 9 Be ratios measured at the different accelerator facilities (n = 26 and n = 70) have statistically indistinguishable central tendencies, matching to within 0.1 %. Based on this large dataset, we suggest preliminary consensus values for UVM-A of 1.45 ± 0.06 x 10 -13 for 10 Be/ 9 Be (mean, one standard deviation, n = 96) and 4.47 ± 0.22 x 10 -13 for 26 Al/ 27 Al (mean, one standard deviation, n = 27). For both 10 Be/ 9 Be and 26 Al/ 27 Al, the relative standard deviations of the measured ratios are similar to the reported analytic uncertainties of sample measurement, suggesting that sample preparation introduced little if any additional scatter beyond the uncertainty of isotopic analysis. This dataset demonstrates that robust sample preparation and measurement can generate isotope ratio data reproducible at the level of counting statistics.

58 GEOSCIENCES↗
DOE OSTI2019

Effect of Natural and Accelerated Aging on the Mechanical Performance of a Composite Based on Recycled Multilayer Carton

A composite elaborated from waste material was studied for its proposed use as a wood plastic composite. Multilayer food cartons and recycled high density polyethylene were used for the elaboration of laminates, in a proportion of 55% and 45% volume fraction, respectively. The samples were subjected to an aging in an accelerated weathering (AW) chamber for 0, 500, 1000 and 2000 h with UVB radiation, temperature and humidity cycles. Samples exposed to natural weathering (NW) for 0, 1300, 2600 and 5200 h, in a warm sub-humid environment were also studied, the aim being to elucidate a correlation of the useful lifespan of the material. In both cases, after the exposure, three-point bend tests were performed to evaluate the effect on the mechanical properties. The analysis of the degradation process was carried out by infrared spectroscopy, indicating that the AW and NW samples showed deterioration of the material in different proportions. By mean of thermal analysis, it was possible to associate the degradation with the appearance and/or growth of the endothermic peaks, showing a variation in the melting temperature as the time of exposure to AW and NW increased, resulting in a change in the crystallinity percentage. The modulus of rupture (MOR) and the flexural modulus of elasticity decreased by 20% in samples subjected to AW for 2000 h; while in the samples exposed to NW, required of 5200 h to obtain a reduction of 16% in the MOR.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A sub-sampled approach to extremely low-dose STEM

The inpainting of deliberately and randomly sub-sampled images offers a potential means to image specimens at a high resolution and under extremely low-dose conditions (≤1 e - /Å 2 ) using a scanning transmission electron microscope. We show that deliberate sub-sampling acquires images at least an order of magnitude faster than conventional low-dose methods for an equivalent electron dose. More importantly, when adaptive sub-sampling is implemented to acquire the images, there is a significant increase in the resolution and sensitivity which accompanies the increase in imaging speed. Lastly, we demonstrate the potential of this method for beam sensitive materials and in-situ observations by experimentally imaging the node distribution in a metal-organic framework.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

PPI DataHub Project Data Package: S. elongatus PCC 7942 Limited Proteolysis and Thermal Proteome Profiling Structural Proteomics (JM-PB-DP3)

The purpose of this experiment was to investigate structural alterations in proteins involved in central carbon metabolism and photosynthetic electron transfer pathways in Synechococcus elongatus PCC 7942. Sample data was obtained from S. elongatus cell lysates using three complementary mass spectrometry (MS) techniques using limited proteolysis (LiP-MS), thermal proteome profiling (TPP-MS), and redox enrichment (Redox-MS) in evaluating alterations solvent accessibility and structural stability caused by light perturbation at the molecular level. Experimentally processed sample data for LiP and TPP proteomic datasets were derived from the same cell culture stock, prepared simultaneously in parallel, and acquired by mass spectrometry. Processed datasets are openly accessible from the download button and contain secondary processed proteomic results files, computed outputs, and supporting metadata materials. Experimental samples processed for LiP-MS label-free quantification (LFQ) or TPP-MS tandem mass tag (TMT) 10-plex were acquired using a Q-Exactive HF-X mass spectrometer and processed/compiled using either MSGF+ (v2024.03.26) or ​​​​PlexedPiper for proteome evaluation. Additional software supporting downstream proteomic analysis include FragPipe (v.4.0), MSFragger (v.22.1), and an adapted Microbial Isolate LiP Analysis Workflow (located at Zenodo). Processed proteomic data downloads include a sample naming key, normalized quantification results files, and processed protein annotated abundance files.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Removing imaging systematics from galaxy clustering measurements with Obiwan: application to the SDSS-IV extended Baryon Oscillation Spectroscopic Survey emission-line galaxy sample

This article presents the application of a new tool, Obiwan, which uses image simulations to determine the selection function of a galaxy redshift survey and calculate three-dimensional (3D) clustering statistics. Obiwan relies on a forward model of the process by which images of the night sky are transformed into a 3D large-scale structure catalogue, and offers several advantages over more traditional map-based techniques – such as operating on individual exposures and adopting a maximum likelihood approach. The photometric pipeline automatically detects and models galaxies and then generates a catalogue of such galaxies with detailed information for each one of them, including their location, redshift, and so on. Systematic biases in the imaging data are therefore imparted into the catalogues and must be accounted for in any scientific analysis of their information content. Obiwan simulates this process for samples selected from the Legacy Surveys imaging data. This imaging data will be used to select target samples for the next-generation Dark Energy Spectroscopic Instrument (DESI) experiment. Here, we apply Obiwan to a portion of the SDSS-IV extended Baryon Oscillation Spectroscopic Survey emission-line galaxies (ELGs). Systematic biases in the data are clearly identified and removed. We compare the 3D clustering results to those obtained by the map-based approach applied to the complete eBOSS Data Release 16 (DR16) sample. We find the results are consistent, thereby validating the eBOSS DR16 ELG catalogues, which is used to obtain cosmological results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Biomass Compositional Analysis Laboratory (Fact Sheet)

At the Biomass Compositional Analysis Laboratory, NREL scientists have more than 20 years of experience supporting the biomass conversion industry. They develop, refine, and validate analytical methods to determine the chemical composition of biomass samples before, during, and after conversion processing. These high-quality compositional analysis data are used to determine feedstock compositions as well as mass balances and product yields from conversion processes.

09 BIOMASS FUELS↗
DOE OSTI2020

Automated Coupling of Nanodroplet Sample Preparation with Liquid Chromatography–Mass Spectrometry for High-Throughput Single-Cell Proteomics

Single-cell proteomics can provide critical biological insight into the cellular heterogeneity that is masked by bulk-scale analysis. Here, we have developed a nanoPOTS (nanodroplet processing in one pot for trace samples) platform and demonstrated its broad applicability for single-cell proteomics. However, because of nanoliter-scale sample volumes, the nanoPOTS platform is not compatible with automated LC-MS systems, which significantly limits sample throughput and robustness. To address this challenge, we have developed a nanoPOTS autosampler allowing fully automated sample injection from nanowells to LC-MS systems. We also developed a sample drying, extraction, and loading workflow to enable reproducible and reliable sample injection. The sequential analysis of 20 samples containing 10 ng tryptic peptides demonstrated high reproducibility with correlation coefficients of >0.995 between any two samples. The nanoPOTS autosampler can provide analysis throughput of 9.6, 16, and 24 single cells per day using 120, 60, and 30 min LC gradients, respectively. As a demonstration for single-cell proteomics, the autosampler was first applied to profiling protein expression in single MCF10A cells using a label-free approach. At a throughput of 24 single cells per day, an average of 256 proteins was identified from each cell and the number was increased to 731 when the Match Between Runs algorithm of MaxQuant was used. Using a multiplexed isobaric labeling approach (TMT-11plex), ~77 single cells could be analyzed per day. We analyzed 152 cells from three acute myeloid leukemia cell lines, resulting in a total of 2558 identified proteins with 1465 proteins quantifiable (70% valid values) across the 152 cells. These data showed quantitative single-cell proteomics can cluster cells to distinct groups and reveal functionally distinct differences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Analysis of DWPF Sludge Batch 6 (Macrobatch 7) Pour Stream Glass Samples

The Defense Waste Processing Facility (DWPF) began processing Sludge Batch 6 (SB6), also referred to as Macrobatch 7 (MB7), in June 2010. SB6 is a blend of the heel of Tank 40 from Sludge Batch 5 (SB5), H-Canyon Np transfers and SB6 that was transferred to Tank 40 from Tank 51. SB6 was processed using Frit 418. During processing of each sludge batch, the DWPF is required to take at least one glass sample to meet the objectives of the Glass Product Control Program and to complete the necessary Production Records so that the final glass product may be disposed of at a Federal Repository. Four pour stream glass samples and two Melter Feed Tank (MFT) slurry samples were collected while processing SB6. The samples were transferred to the Savannah River National Laboratory (SRNL) where they were analyzed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗