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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Sampling for Confidence: Guidance for Evaluating the Quality of Canister Sampling Plans

There is a need for an inspection frequency that demonstrates reasonable assurance that the confinement function of dual-purpose-canisters (DPCs) is maintained as these DPCs are returned to storage service following transportation. The DPCs contain spent fuel from shutdown reactor sites. The currently-proposed 100% DPC inspection frequency is overly conservative and unnecessary to demonstrate reasonable assurance that the confinement function of all DPCs is maintained for return to storage service. Testing all DPCs does not appropriately reflect the very low risk of leakage (i.e., low probability based on design and low consequences based on analysis). Currently, there are 1066 DPCs forecast to be loaded at reactor sites which either are shutdown or plan to cease operations by 2025. These DPCs may be transported by rail in sets of 3 to 5 DPCs per shipment. Assuming each rail consist originates at a single reactor site, an alternative proposal to test one canister/consist/site would result in 356 to 214 canisters, respectively, being tested given the population of 1,066 canisters This Savannah River National Laboratory (SRNL) report outlines statistically-based, random sampling plans that provide guidance on the number of samples of these canisters that are needed to establish bounds on the quality of the outcome of such sampling. The quality of each proposed sampling plan is expressed in the form of a statement that the number of undetected, unacceptable canisters in the population is less than some number, call it D, at a high level of confidence. In addition, evaluations using a similar approach for random sampling at the proposed levels of 214 and 356 canisters are provided. This is a technical report that does not take into account the contractual limitations under the Standard Contract for Disposal of Spent Nuclear Fuel and/or High-Level Radioactive Waste (Standard Contract) (10 CFR Part 961). Under the provisions of the Standard Contract, DOE does not consider spent nuclear fuel in multi-assembly canisters to be an acceptable waste form, absent a mutually agreed upon contract amendment. To the extent discussions or recommendations in this report conflict with the provisions of the Standard Contract, the Standard Contract provisions prevail.

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DOE OSTI2021

Trace explosives sampling for security applications (TESSA) study: Evaluation of procedures and methodology for contact sampling efficiency

We report the detection of trace amounts of explosive materials is critical to the security at mass transit centers (e.g., airports and railway stations). In a typical screening process, a trap is used to probe a surface of interest to collect and transfer particulate residue to a detector for analysis. The collection of residues from the surface being probed is widely viewed as the limiting step in this process. A multi-institutional study was performed to establish a methodology for the evaluation of sampling media collection efficiencies. Dry deposited residues of 1,3,5-trinitroperhydro-1,3,5-triazine (RDX), C-4 (an RDX-based explosive), and pentaerythritol tetranitrate (PETN) were harvested from acrylonitrile butadiene styrene (ABS) plastic, ballistic nylon (NYL), and uncoated aluminum surfaces using muslin, Texwipe cotton, and stainless-steel mesh traps. Transfer and collection efficiencies of the sample media were calculated based on liquid chromatography-mass spectrometry analysis. Dry transfer efficiencies (DTE%) to all tested surfaces were greater than 75%, with transfer to ABS plastic being the lowest. Collection efficiency (CE%) varied significantly across the traps and the surfaces, yet some conclusions can be drawn; nylon had the lowest CE% for all cases (~10%), and the stainless steel mesh had the lowest CE% for the evaluated traps (~20%). Though the testing parameters have been standardized among the participants to establish a framework for an independent comparison of contact sampling media and surfaces, substantial variations in the DTE% and the CE% were observed, suggesting that other variables can affect contact sampling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Efficient sampling over rough energy landscapes with high barriers: A combination of metadynamics with integrated tempering sampling

In order to efficiently overcome high free energy barriers embedded in a complex energy landscape and calculate overall thermodynamics properties using molecular dynamics simulations, we developed and implemented a sampling strategy by combining the metadynamics with (selective) integrated tempering sampling (ITS/SITS) method. The dominant local minima on the potential energy surface (PES) are partially exalted by accumulating history-dependent potentials as in metadynamics, and the sampling over the entire PES is further enhanced by ITS/SITS. With this hybrid method, the simulated system can be rapidly driven across the dominant barrier along selected collective coordinates. Then, ITS/SITS ensures a fast convergence of the sampling over the entire PES and an efficient calculation of the overall thermodynamic properties of the simulation system. To test the accuracy and efficiency of this method, we first benchmarked this method in the calculation of ϕ − ψ distribution of alanine dipeptide in explicit solvent. We further applied it to examine the design of template molecules for aromatic meta-C—H activation in solutions and investigate solution conformations of the nonapeptide Bradykinin involving slow cis-trans isomerizations of three proline residues.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Correlating Sampling and Intensity Statistics in Nanoparticle Diffraction Experiments

In this article, [Öztürk, Yan, Hill & Noyan (2014). J. Appl. Cryst. 47, 1016-1025] it was shown that the sampling statistics of diffracting particle populations within a polycrystalline ensemble depended on the size of the constituent crystallites: broad X-ray peak breadths enabled some nano-sized particles to contribute more than one diffraction spot to Debye-Scherrer rings. Here it is shown that the equations proposed by Alexander, Klug & Kummer [J. Appl. Phys. (1948), 19, 742-753] (AKK) to link diffracting particle and diffracted intensity statistics are not applicable if the constituent crystallites of the powder are below 10 nm. In this size range, (i) the one-to-one correspondence between diffracting particles and Laue spots assumed in the AKK analysis is not satisfied, and (ii) the crystallographic correlation between Laue spots originating from the same grain invalidates the assumption that all diffracting plane normals are randomly oriented and uncorrelated. Such correlation produces unexpected results in the selection of diffracting grains. Three or more Laue spots from a given grain for a particular reflection can only be observed at certain wavelengths. In addition, correcting the diffracted intensity values by the traditional Lorentz term, 1/cos [theta], to compensate for the variation of particles sampled within a reflection band does not maintain fidelity to the number of poles contributing to the diffracted signal. A new term, cos [theta]B/cos [theta], corrects this problem.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Determination of Rare Earth Elements in Geological Samples Using Laser-Induced Breakdown Spectroscopy (LIBS) [Determination of Rare Earth Elements in Geological Samples by Laser-Induced Breakdown Spectroscopy (LIBS)]

Laser-induced breakdown spectroscopy (LIBS) was used to detect rare earth elements (REEs) in natural geological samples. Low and high intensity emission lines of Ce, La, Nd, Y, Pr, Sm, Eu, Gd, and Dy were identified in the spectra recorded from the samples to claim the presence of these REEs. Multivariate analysis was executed by developing partial least squares regression (PLS-R) models for the quantification of Ce, La, and Nd. Analysis of unknown samples indicated that the prediction results of these samples were found comparable to those obtained by inductively coupled plasma mass spectrometry analysis. In conclusion, data support that LIBS has potential to quantify REEs in geological minerals/ores.

58 GEOSCIENCES↗
DOE OSTI2016

Solvent Hold Tank Sample Results for MCU-16-348-349-350: March 2016 Monthly Sample

Savannah River National Laboratory (SRNL) received one set of Solvent Hold Tank (SHT) samples (MCU-16-348-349-350), pulled on 03/30/2016 for analysis. The samples were combined and analyzed for composition. Analysis of the composite sample MCU-16-348-349-350 indicated the Isopar TM L concentration is above its nominal level (101%). The modifier (CS-7SB) and the TiDG concentrations are 9% and 55% below their nominal concentrations. This analysis confirms the solvent may require the addition of TiDG, and possibly of modifier. Based on the current monthly sample, the levels of TiDG, Isopar TM L, MaxCalix, and modifier are sufficient for continuing operation but are expected to decrease with time. Periodic characterization and trimming additions to the solvent are recommended.

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DOE OSTI2016

Solvent Hold Tank Sample Results for MCU-16-596-597-598: April 2016 Monthly Sample

Savannah River National Laboratory (SRNL) received one set of Solvent Hold Tank (SHT) samples (MCU-16-596-597-598), pulled on 04/30/2016 for analysis. The samples were combined and analyzed for composition. Analysis of the composite sample MCU-16-596-597-598 indicated the Isopar™L concentration is above its nominal level (102%). The modifier (CS-7SB) is 14% below its nominal concentration, while the TiDG and MaxCalix concentrations are at and above their nominal concentrations, respectively. This analysis confirms the solvent may require the addition of modifier. Based on the current monthly sample, the levels of TiDG, Isopar™L, MaxCalix, and modifier are sufficient for continuing operation but are expected to decrease with time. Periodic characterization and trimming additions to the solvent are recommended.

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DOE OSTI2017

Solvent Hold Tank Sample Results for MCU-16-1247-1248-1249: August 2016 Monthly Sample

Savannah River National Laboratory (SRNL) received one set of Solvent Hold Tank (SHT) samples (MCU-16-1247-1248-1249), pulled on 08/22/2016 for analysis. The samples were combined and analyzed for composition. Analysis of the composite sample MCU-16-1247-1248-1249 indicated the Isopar™L concentration is above its nominal level (101%). The extractant (MaxCalix) and the modifier (CS-7SB) are 7% and 9 % below their nominal concentrations. The suppressor (TiDG) is 63% below its nominal concentration. This analysis confirms the solvent may require the addition of TiDG, and possibly of modifier and MaxCalix to restore then to nominal levels. Based on the current monthly sample, the levels of TiDG, Isopar™L, MaxCalix, and modifier are sufficient for continuing operation but are expected to decrease with time. Periodic characterization and trimming additions to the solvent are recommended. At the time of writing this report, A solvent trim batch containing TiDG, modifier and MaxCalix, was added to the SHT (October 2016) and expect the concentration of these components to be at their nominal values.

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DOE OSTI2020

Characterization of infrequent samples from the concentration, storage and transfer facility: leak detection box (LDB) drain cell sample LIMS# 20195

Savannah River Remediation Engineering (SRR-E) requested that the Savannah River National Laboratory (SRNL) analyze the Concentration, Storage, and Transfer Facility (CSTF) samples from the following Tank Farm areas: the sump encasement, catch tank, drain cell and waste tank annulus. In general, these CSTF samples will be analyzed on an infrequent basis and analyses will include detection for total beta/gamma, total alpha activities and pH measurements. This report presents characterization results for the Leak Detection Box Drain Cell (LDB-DC) sample. The results are measurements for total gamma, total alpha, total beta, pH, density, anions, elementals and total mercury for the LDB-DC sample.

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DOE OSTI2018

Quantitative Mapping of Nanoscale Chemical Dynamics in Sub-sampled Operando (S)TEM Images Using Spatio-Temporal Analytics

One of the main limitations in the use of operando scanning transmission electron microscopes to study dynamic chemical processes is the effect of the electron beam on the kinetics of the reaction being observed. Here we demonstrate that a flexible Gaussian mixture model can be used to extract quantitative information directly from sub-sampled images, i.e.~images where not all the pixels in the image are illuminated with the beam. The use of this method is demonstrated for the charge/discharge cycle of a Li-battery, where the deposition and dissolution of Li at the anode can be accurately quantified for sub-sampling levels down to 1%. Performing operando imaging using a small fraction of the pixels means that the observations can significantly reduce the effect of the beam, automatically increase the imaging speed and decrease the total data transfer rate required. Such new software capabilities offer the potential to significantly widen the application of operando hardware approaches to study nanoscale dynamics in materials.

Stanfill, Bryan A.↗
DOE OSTI2016

Electrokinetic Sample Preconcentration and Hydrodynamic Sample Injection for Microchip Electrophoresis Using a Pneumatic Microvalve

A microfluidic platform was developed to perform online electrokinetic sample preconcentration and rapid hydrodynamic sample injection for electrophoresis using a single microvalve. The PDMS microchip consists of a separation channel, a side channel for sample introduction, and a control channel which is used as a pneumatic microvalve aligned at the intersection of the two flow channels. The closed microvalve, created by multilayer soft lithography, can serve as a preconcentrator under an applied electric potential, enabling current to pass through while blocking bulk flow. Once analytes are concentrated, the valve is briefly opened and the stacked sample is pressure injected into the separation channel for electrophoretic separation. Fluorescently labeled peptides were enriched by a factor of ~450 in 230 s. The performance of the platform was validated by the online preconcentration, injection and electrophoretic separation of fluorescently labeled peptides. This method enables both rapid analyte concentration and controlled injection volume for high sensitivity, high resolution capillary electrophoresis.

capillary↗
DOE OSTI2018

Determining aromatic and aliphatic carboxylic acids in biomass-derived oil samples using 2,4-dinitrophenylhydrazine and liquid chromatography-electrospray injection-mass spectrometry/mass spectrometry

Converting biomass to a useful fuel commonly incorporates the pyrolysis of the biomass feed stock. The base liquid fraction usually contains high concentrations of ketones, aldehydes and carboxylic acids, of which each can cause detrimental issues related to the storage and upgrading process. Knowing the carbonyl species and the concentration of each will provide value information to the pyrolysis researchers, specifically as that community branches into more targeted end-products such as jet fuel or biogenic-derived oxygenate-containing fuel products. The analysis of aldehydes, ketones and small alkyl carboxylic acids using 2,4-dinitrophenylhydrazine (DNPH) derivation method has been well documented and the method is commonly used the analytical community. By using liquid chromatograph coupled to tandem mass spectrometry, biomass sample analysis can be complete with identification of most carbonyl species. The issue of identifying isobaric ketone and aldehyde compounds can be resolved by utilizing differences in retention time or characteristic fragment ions of ketones and aldehydes. One issue which could not resolved using published methods was identifying aromatic or large non-aromatic carboxylic acids from their corresponding hydroxyl aldehyde or ketone analogs. By modifying the current method for determining carbonyls in biomass samples, carboxylic and hydroxyl-carbonyl can be determined. A careful adjustment of the pH during the extraction procedure and extended heating time of the DNPH solution allowed for the successful derivation of aromatic carboxylic acids. Like other dinitrophenylhydrazones, carboxylic acid derivatives also produce a unique secondary ion pattern, which was useful to distinguish these species from the non-acid analogs.

bio-oil↗
DOE OSTI2020

An Open-Cell Environmental Transmission Electron Microscopy Technique for In Situ Characterization of Samples in Aqueous Liquid Solutions

The desire to image specimens in liquids has led to the development of open-cell and closed-cell techniques in transmission electron microscopy (TEM). The closed-cell approach is currently more common in TEM and has yielded new insights into a number of biological and materials processes in liquid environments. The open-cell approach, which requires an environmental TEM (ETEM), is technically challenging but may be advantageous in certain circumstances due to fewer restrictions on specimen and detector geometry. Here, we demonstrate a novel approach to open-cell liquid TEM, in which we use salt particles to facilitate the in situ formation of droplets of aqueous solution that envelope specimen particles coloaded with the salt. This is achieved by controlling sample temperature between 1 and 10°C and introducing water vapor to the ETEM chamber above the critical pressure for the formation of liquid water on the salt particles. Our use of in situ hydration enables specimens to be loaded into a microscope in a dry state using standard 3 mm TEM grids, allowing specimens to be prepared using trivial sample preparation techniques. Furthermore, our future aim will be to combine this technique with an in situ light source to study photocorrosion in aqueous environments.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Validation of selection function, sample contamination and mass calibration in galaxy cluster samples

ABSTRACT We construct and validate the selection function of the MARD-Y3 galaxy cluster sample. This sample was selected through optical follow-up of the 2nd ROSAT faint source catalogue with Dark Energy Survey year 3 data. The selection function is modelled by combining an empirically constructed X-ray selection function with an incompleteness model for the optical follow-up. We validate the joint selection function by testing the consistency of the constraints on the X-ray flux–mass and richness–mass scaling relation parameters derived from different sources of mass information: (1) cross-calibration using South Pole Telescope Sunyaev-Zel'dovich (SPT-SZ) clusters, (2) calibration using number counts in X-ray, in optical and in both X-ray and optical while marginalizing over cosmological parameters, and (3) other published analyses. We find that the constraints on the scaling relation from the number counts and SPT-SZ cross-calibration agree, indicating that our modelling of the selection function is adequate. Furthermore, we apply a largely cosmology independent method to validate selection functions via the computation of the probability of finding each cluster in the SPT-SZ sample in the MARD-Y3 sample and vice versa. This test reveals no clear evidence for MARD-Y3 contamination, SPT-SZ incompleteness or outlier fraction. Finally, we discuss the prospects of the techniques presented here to limit systematic selection effects in future cluster cosmological studies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Dark Energy Survey Year 3 results: calibration of lens sample redshift distributions using clustering redshifts with BOSS/eBOSS

ABSTRACT We present clustering redshift measurements for Dark Energy Survey (DES) lens sample galaxies used in weak gravitational lensing and galaxy clustering studies. To perform these measurements, we cross-correlate with spectroscopic galaxies from the Baryon Acoustic Oscillation Survey (BOSS) and its extension, eBOSS. We validate our methodology in simulations, including a new technique to calibrate systematic errors that result from the galaxy clustering bias, and we find that our method is generally unbiased in calibrating the mean redshift. We apply our method to the data, and estimate the redshift distribution for 11 different photometrically selected bins. We find general agreement between clustering redshift and photometric redshift estimates, with differences on the inferred mean redshift found to be below |Δz| = 0.01 in most of the bins. We also test a method to calibrate a width parameter for redshift distributions, which we found necessary to use for some of our samples. Our typical uncertainties on the mean redshift ranged from 0.003 to 0.008, while our uncertainties on the width ranged from 4 to 9 per cent. We discuss how these results calibrate the photometric redshift distributions used in companion papers for DES Year 3 results.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Sample variance in the local measurements of the Hubble constant

The current >3σ tension between the Hubble constant H 0 measured from local distance indicators and from cosmic microwave background is one of the most highly debated issues in cosmology, as it possibly indicates new physics or unknown systematics. In this work, we explore whether this tension can be alleviated by the sample variance in the local measurements, which use a small fraction of the Hubble volume. We use a large-volume cosmological N-body simulation to model the local measurements and to quantify the variance due to local density fluctuations and sample selection. We explicitly take into account the inhomogeneous spatial distribution of type Ia supernovae. Despite the faithful modelling of the observations, our results confirm previous findings that sample variance in the local Hubble constant ($H$ $^{loc}_{0}$) measurements is small; we find σ ($H$ $^{loc}_{0}$)=0.31km s -1 Mpc -1 a nearly negligible fraction of the ~6 km s -1 Mpc -1 necessary to explain the difference between the local and global H 0 measurements. While the H 0 tension could in principle be explained by our local neighbourhood being a underdense region of radius ~150 Mpc, the extreme required underdensity of such a void (δ ≃ -0.8) makes it very unlikely in a ΛCDM universe, and it also violates existing observational constraints. Furthermore, sample variance in a ΛCDM universe cannot appreciably alleviate the tension in H 0 measurements even after taking into account the inhomogeneous selection of type Ia supernovae.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Design and instrumentation for permanent magnet samples exposed to a radiation environment

This work is part of a larger program to study the effects of radiation on permanent magnets in an accelerator environment. In order to be sure that the permanent magnet samples are accurately placed, measured, and catalogued we have developed a system of sample racks, holders and measuring apparatuses. We have combined these holders and measurement racks with electronics to allow a single computer to catalogue the position and intensity of the magnet measurements. We outline the design of the apparatus, the collection software, and the methodology we will use to collect the data.

Accelerator Physics↗
DOE OSTI2014

SOLVENT HOLD TANK SAMPLE RESULTS FOR MCU-14-259/260/261 AND MCU-14-315/316/317: APRIL AND MAY 2014 MONTHLY SAMPLES

SRNL received two sets of SHT samples (MCU-14-259/260/261 in April 2014 and MCU-14- 315/316/317 in May 2014) for analysis. The samples were analyzed for composition. Both samples have similar chemical composition. As with the previous solvent sample results, these analyses indicate that the solvent does not require Isopar® L trimming at this time. Since an addition of TiDG and MaxCalix to the SHT was added in early July 2014, the solvent does not require TiDG addition at this time. The current TiDG level (1.5 mM) is above the minimum recommended operating level of 1 mM.

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