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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Solvent Hold Tank Sample Results for MCU-16-934-935-936: June 2016 Monthly Sample

Savannah River National Laboratory (SRNL) received one set of Solvent Hold Tank (SHT) samples (MCU-16-934-935-936), pulled on 07/01/2016 for analysis. The samples were combined and analyzed for composition. Analysis of the composite sample MCU-16-934-935-936 indicated the Isopar™L concentration is above its nominal level (101%). The modifier (CS-7SB) and the TiDG concentrations are 8% and 29 % 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™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. No impurities above the 1000 ppm level were found in this solvent by the Semi-Volatile Organic Analysis (SVOA). No impurities were observed in the Hydrogen Nuclear Magnetic Resonance (HNMR). However, up to 21.1 ± 4 micrograms of mercury per gram of solvent (or 17.5 μg/mL) was detected in this sample (as determined by the XRF method of undigested sample). The current gamma level (1.41E5 dpm/mL) confirmed that the gamma concentration has returned to previous levels (as observed in the late 2015 samples) where the process operated normally and as expected.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Sampling and Analysis Plan for Verification Sampling of LANL-Derived Residual Radionuclides in Soils within Tract A-18-2 for Land Conveyance

Public Law 105-119 directs the U.S. Department of Energy (DOE) to convey or transfer parcels of land to the Incorporated County of Los Alamos or their designees and to the Department of Interior, Bureau of Indian Affairs, in trust for the Pueblo de San Ildefonso. Los Alamos National Security is tasked to support DOE in conveyance and/or transfer of identified land parcels no later than September 2022. Under DOE Order 458.1, Radiation Protection of the Public and the Environment (O458.1, 2013) and Los Alamos National Laboratory (LANL or the Laboratory) implementing Policy 412 (P412, 2014), real property with the potential to contain residual radioactive material must meet the criteria for clearance and release to the public. This Sampling and Analysis Plan (SAP) is a second investigation of Tract A-18-2 for the purpose of verifying the previous sampling results (LANL 2017). This sample plan requires 18 projectspecific soil samples for use in radiological clearance decisions consistent with LANL Procedure ENV-ES-TP-238 (2015a) and guidance in the Multi-Agency Radiation Survey and Site Investigation Manual (MARSSIM, 2000). The sampling work will be conducted by LANL, and samples will be evaluated by a LANL-contracted independent lab. However, there will be federal review (verification) of all steps of the sampling process.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Characterization of Tank 11H samples from tank closure cesium removal (TCCR) Batch 3 - intermediate and final samples

Savannah River Remediation (SRR) is currently operating the Tank Closure Cesium Removal (TCCR) process to remove 137 Cs from tank waste supernate using an ion exchange process. The TCCR unit processes dissolved salt from Tank 10H through a series of ion exchange columns containing crystalline silicotitanate (CST) and the effluent is then discharged to Tank 11H. Four interim samples pulled from Tank 11H during and just after the completion of processing of Batch 3 through the TCCR process have been analyzed for 137 Cs activity and density. The 137 Cs activity was found to decrease with each subsequent sample, which is consistent with the addition of decontaminated solution to Tank 11H. When compared to the expected composition from mixing the Tank 10H Batch 3 feed with the material already present in Tank 11H, the bulk chemical composition was as expected. A corrosion control sample collected from Tank 11H in June 2020 showed changes in the chemical composition and 137 Cs activity when compared to the composition measured at the end of Batch 2 processing. As there were no additions made to the tank during this period, these changes were attributed to leaching of the solids present in Tank 11H. Revision 1 of this report contains additional analyses of the fourth interim sample including inductively coupled plasma – mass spectrometry (ICP-MS) results and activities of other radionuclides. These results are consistent with the previously reported results, showing leaching from the Tank 11H heel. Notably, the 90 Sr activity was about 2.7x higher than calculated from a mixture of the original Tank 11H supernate and the Tank 10H supernate as treated by TCCR, suggesting additional leaching of Sr from the Tank 11H heel solids. In addition, Revision 1 includes analysis results for the Batch 3 Post-Production surface and variable depth samples collected in October of 2020. The Post-Production surface sample was similar in composition to the fourth interim surface sample, except for the increased Cs-137 and oxalate concentrations that were presumably associated with leaching of the Tank 11H heel solids.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Development and Demonstration of a Prototype Molten Salt Sampling System

Molten salt reactors (MSRs) offer potential operability and safety advantages when compared to commercial light water reactors (LWRs). However, operating experience with MSRs is sparse in comparison to what exists for LWRs. Further, the chemical and isotopic composition of the fuel and/or coolant salt is dynamic and difficult to characterize continuously, posing potential safety, operability, and safeguards unknowns that need to be addressed. A molten salt sampling system (MSSS) is regarded as a necessary subsystem within first generation MSRs used to obtain samples of salt for chemical and isotopic analysis in support of the need to monitor and control salt composition during operation. The MSSS is being developed using the Safety-in-Design (SiD) methodology, which incorporates incremental integration of safety analysis into the design process. The MSSS conceptual design emerging from the application of the early stages of the SiD methodology consists of a sample collection system and its housing, a freeze port, and inert gas control and delivery systems. This article describes the prototypes developed to test the functions of these MSSS subsystems, presents the results of testing in both dry and molten salt environments (including reliability data collection performed in accordance with the principles of SiD and the development of a semiquantitative fault tree model), and summarizes the opportunities for future design and testing enhancements based on the results of prototype testing.

molten salt reactor↗
DOE OSTI2016

Reactive Monte Carlo sampling with an ab initio potential

We present the first application of reactive Monte Carlo in a first-principles context. The algorithm samples in a modified NVT ensemble in which the volume, temperature, and total number of atoms of a given type are held fixed, but molecular composition is allowed to evolve through stochastic variation of chemical connectivity. We discuss general features of the method, as well as techniques needed to enhance the efficiency of Boltzmann sampling. Finally, we compare the results of simulation of NH{sub 3} to those of ab initio molecular dynamics (AIMD). We find that there are regions of state space for which RxMC sampling is much more efficient than AIMD due to the “rare-event” character of chemical reactions.

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

The Combination of Rejection Sampling with Biased Probability Density Sampling (with Special Comments on MCNP "Cookie Cutter" Rejection)

Sampling from biased probability densities and rejection sampling are both very common Monte Carlo techniques. As far as I know, the combination of sampling from a biased density and rejection sampling has not been developed. This note develops the theory for sampling from a biased density and then accepting or rejecting that sampling.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Microstructure selection in thin-sample directional solidification of an Al-Cu alloy: In situ X-ray imaging and phase-field simulations

We study microstructure selection during directional solidification of a thin metallic sample. We combine in situ X-ray radiography of a dilute Al-Cu alloy solidification experiments with three-dimensional phase-field simulations. We explore a range of temperature gradient G and growth velocity V and build a microstructure selection map for this alloy. We investigate the selection of the primary dendritic spacing Lambda and tip radius rho. While rho shows a good agreement between experimental measurements and dendrite growth theory, with rho similar to V-1/2, Lambda is observed to increase with V (partial derivative Lambda/partial derivative V > 0), in apparent disagreement with classical scaling laws for primary dendritic spacing, which predict that partial derivative Lambda/partial derivative V <0. We show through simulations that this trend inversion for Lambda(V) is due to liquid convection in our experiments, despite the thin sample configuration. We use a classical diffusion boundary-layer approximation to semi-quantitatively incorporate the effect of liquid convection into phase-field simulations. This approximation is implemented by assuming complete solute mixing outside a purely diffusive zone of constant thickness that surrounds the solid-liquid interface. This simple method enables us to quantitatively match experimental measurements of the planar morphological instability threshold and primary spacings over an order of magnitude in V. We explain the observed inversion of partial derivative Lambda/partial derivative V by a combination of slow transient dynamics of microstructural homogenization and the influence of the sample thickness.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Quantitative phase analysis of challenging samples using neutron powder diffraction. Sample #4 from the CPD QPA round robin revisited

Here, quantitative phase analysis (QPA) using neutron powder diffraction more often than not involves non-ambient studies where no sample preparation is possible. The larger samples and penetration of neutrons versus X-rays makes neutron diffraction less susceptible to inhomogeneity and large grain sizes, but most well-characterized QPA standard samples do not have these characteristics. Sample #4 from the International Union of Crystallography Commission on Powder Diffraction QPA round robin was one such sample. Data were collected using the POWGEN time-of-flight (TOF) neutron powder diffractometer and analysed together with historical data from the C2 diffractometer at Chalk River. The presence of magnetic reflections from Fe 3 O 4 (magnetite) in the sample was an additional consideration, and given the frequency at which iron-containing and other magnetic compounds are present during in-operando studies their possible impact on the accuracy of QPA is of interest. Additionally, scattering from thermal diffuse scattering in the high- Q region (<0.6 Å) accessible with TOF data could impact QPA results during least-squares because of the extreme peak overlaps present in this region. Refinement of POWGEN data was largely insensitive to the modification of longer d -spacing reflections by magnetic contributions, but the constant-wavelength data were adversely impacted if the magnetic structure was not included. A robust refinement weighting was found to be effective in reducing quantification errors using the constant-wavelength neutron data both where intensities from magnetic reflections were ignored and included. Results from the TOF data were very sensitive to inadequate modelling of the high- Q (low d -spacing) background using simple polynomials.

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

Flexible sample environment for high resolution neutron imaging at high temperatures in controlled atmosphere

In high material penetration by neutrons allows for experiments using sophisticated sample environments providing complex conditions. Thus, neutron imaging holds potential for performing in situ nondestructive measurements on large samples or even full technological systems, which are not possible with any other technique. Our paper presents a new sample environment for in situ high resolution neutron imaging experiments at temperatures from room temperature up to 1100 degrees C and/or using controllable flow of reactive atmospheres. The design also offers the possibility to directly combine imaging with diffraction measurements. Design, special features, and specification of the furnace are described. In addition, examples of experiments successfully performed at various neutron facilities with the furnace, as well as examples of possible applications are presented. Our work covers a broad field of research from fundamental to technological investigations of various types of materials and components.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Efficiently sampling conformations and pathways using the concurrent adaptive sampling (CAS) algorithm

Molecular dynamics (MD) simulations are useful in obtaining thermodynamic and kinetic properties of bio-molecules but are limited by the timescale barrier, i.e., we may be unable to efficiently obtain properties because we need to run microseconds or longer simulations using femtoseconds time steps. While there are several existing methods to overcome this timescale barrier and efficiently sample thermodynamic and/or kinetic properties, problems remain in regard to being able to sample un- known systems, deal with high-dimensional space of collective variables, and focus the computational effort on slow timescales. Hence, in this work, a new sampling method, called the “Concurrent Adaptive Sampling (CAS) algorithm,” has been developed to tackle these three issues and efficiently obtain conformations and pathways. The method is not constrained to use only one or two collective variables, unlike most reaction coordinate-dependent methods. Instead, it can use a large number of collective vari- ables and uses macrostates (a partition of the collective variable space) to enhance the sampling. The exploration is done by running a large number of short simula- tions, and a clustering technique is used to accelerate the sampling. In this paper, we introduce the new methodology and show results from two-dimensional models and bio-molecules, such as penta-alanine and triazine polymer

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Spectral variability of a sample of extreme variability quasars and implications for the MgII broad-line region

We present new Gemini/GMOS optical spectroscopy of 16 extreme variability quasars (EVQs) that dimmed bymore than 1.5mag in the g band between the Sloan Digital Sky Survey (SDSS) and the Dark Energy Survey epochs (separated by a few years in the quasar rest frame). These EVQs are selected from quasars in the SDSS Stripe 82 region, covering a redshift range of 0.5 < z < 2.1. Nearly half of these EVQs brightened significantly (by more than 0.5 mag in the g band) in a few years after reaching their previous faintest state, and some EVQs showed rapid (non-blazar) variations of greater than 1-2 mag on time-scales of only months. To increase sample statistics, we use a supplemental sample of 33 EVQs with multi-epoch spectra from SDSS that cover the broad Mg II lambda 2798 line. Leveraging on the large dynamic range in continuum variability between the multi-epoch spectra, we explore the associated variations in the broad MgII line, whose variability properties have not been well studied before. The broad MgII flux varies in the same direction as the continuum flux, albeit with a smaller amplitude, which indicates at least some portion of Mg II is reverberating to continuum changes. However, the full width at half-maximum (FWHM) of Mg II does not vary accordingly as continuum changes for most objects in the sample, in contrast to the case of the broad Balmer lines. Using the width of broad MgII to estimate the black hole mass with single epoch spectra therefore introduces a luminosity-dependent bias.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Broad Genomic Sampling Reveals a Smut Pathogenic Ancestry of the Fungal Clade Ustilaginomycotina

Ustilaginomycotina is home to a broad array of fungi including important plant pathogens collectively called smut fungi. Smuts are biotrophs that produce characteristic perennating propagules called teliospores, one of which, Ustilago maydis , is a model genetic organism. Broad exploration of smut biology has been hampered by limited phylogenetic resolution of Ustilaginiomycotina as well as an overall lack of genomic data for members of this subphylum. In this study, we sequenced eight Ustilaginomycotina genomes from previously unrepresented lineages, deciphered ordinal-level phylogenetic relationships for the subphylum, and performed comparative analyses. Unlike other Basidiomycota subphyla, all sampled Ustilaginomycotina genomes are relatively small and compact. Ancestral state reconstruction analyses indicate that teliospore formation was present at the origin of the subphylum. Divergence time estimation dates the divergence of most extant smut fungi after that of grasses (Poaceae). However, we found limited conservation of well-characterized genes related to smut pathogenesis from U. maydis , indicating dissimilar pathogenic mechanisms exist across other smut lineages. The genomes of Malasseziomycetes are highly diverged from the other sampled Ustilaginomycotina, likely due to their unique history as mammal-associated lipophilic yeasts. Despite extensive genomic data, the phylogenetic placement of this class remains ambiguous. Although the sampled Ustilaginomycotina members lack many core enzymes for plant cell wall decomposition and starch catabolism, we identified several novel carbohydrate active enzymes potentially related to pectin breakdown. Finally, ~50% of Ustilaginomycotina species-specific genes are present in previously undersampled and rare lineages, highlighting the importance of exploring fungal diversity as a resource for novel gene discovery.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Deterministic Linear Time for Maximal Poisson‐Disk Sampling using Chocks without Rejection or Approximation

Abstract We show how to sample uniformly within the three‐sided region bounded by a circle, a radial ray, and a tangent, called a “chock.” By dividing a 2D planar rectangle into a background grid, and subtracting Poisson disks from grid squares, we are able to represent the available region for samples exactly using triangles and chocks. Uniform random samples are generated from chock areas precisely without rejection sampling. This provides the first implemented algorithm for precise maximal Poisson‐disk sampling in deterministic linear time. We prove O(n · M(b) log b), where n is the number of samples, b is the bits of numerical precision and M is the cost of multiplication. Prior methods have higher time complexity, take expected time, are non‐maximal, and/or are not Poisson‐disk distributions in the most precise mathematical sense. We fill this theoretical lacuna.

Mitchell, Scott A.↗
DOE OSTI2016

Solvent hold tank sample results for MCU-15-802-803-804-805-806-807 August monthly sample

Savannah River National Laboratory (SRNL) received one set of Solvent Hold Tank (SHT) samples (MCU-15-802-803-804-805-806-807), pulled on 08/31/2015 for analysis. The samples were combined and analyzed for composition. Analysis of the composite sample MCU-15-802-803-804-805-806-807 indicated a low concentration (~ 45 % of nominal) of the suppressor (TiDG) and a slightly lower than nominal concentration of the modifier (Cs-7SB) in the solvent. The extractant (MaxCalix) concentration was at its nominal value. Based on this current monthly sample, the levels of TiDG, MaxCalix, and modifier were sufficient for continuing operation without adding a trim during that time but it is recommended that an addition of TiDG, modifier and Isopar™L should be made in the next few months. This monthly sample’s rheology, as determined by Hydrogen Nuclear Magnetic Resonance (H-NMR), is consistent with the rheology of the standard NGS solvent made in the lab (Scratch solvent 5/14/2014). No impurities above the 1000 ppm level were found in this solvent by the Semi-Volatile Organic Analysis (SVOA). No impurities were observed in the Hydrogen Nuclear Magnetic Resonance (HNMR). In addition, up to 16.7 micrograms of mercury per gram of solvent (or 14 μg/mL) was detected in this sample. The laboratory will continue to monitor the quality of the solvent in particular for any new impurities or degradation of the solvent components.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Characterization of the March 2017 tank 10 surface sample (combination of HTF-10-17-30 AND HTF-10-17-31) and variable depth sample (combination of HTF-10-17-32 and HTF-10-17-33)

Two surface samples (HTF-10-17-30 and HTF-10-17-31) and two variable depth samples (HTF-10-17-32 and HTF-10-17-33) were collected from SRS Tank 10 during March 2017 and submitted to SRNL for characterization. At SRNL, the two surface samples were combined in one container, the two variable depth samples (VDSs) were combined in another container, and then the two composite samples were each characterized by a series of physical, ionic, radiological, and elemental analysis methods. The surface sample composite was characterized primarily for Tank Farm corrosion control purposes, while the VDS composite was characterized primarily for Tank Closure Cesium Removal (TCCR) purposes.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

The Complete Light-curve Sample of Spectroscopically Confirmed SNe Ia from Pan-STARRS1 and Cosmological Constraints from the Combined Pantheon Sample

Here, we present optical light curves, redshifts, and classifications for 365 spectroscopically confirmed Type Ia supernovae (SNe Ia) discovered by the Pan-STARRS1 (PS1) Medium Deep Survey. We detail improvements to the PS1 SN photometry, astrometry, and calibration that reduce the systematic uncertainties in the PS1 SN Ia distances. We combine the subset of 279 PS1 SNe Ia (0.03 < z < 0.68) with useful distance estimates of SNe Ia from the Sloan Digital Sky Survey (SDSS), SNLS, and various low-z and Hubble Space Telescope samples to form the largest combined sample of SNe Ia, consisting of a total of 1048 SNe Ia in the range of 0.01 < z < 2.3, which we call the Pantheon Sample. When combining Planck 2015 cosmic microwave background (CMB) measurements with the Pantheon SN sample, we find Ω m = 0.307 ± 0.012 and w = -1.026 ± 0.041 for the wCDM model. When the SN and CMB constraints are combined with constraints from BAO and local H 0 measurements, the analysis yields the most precise measurement of dark energy to date: w 0 = -1.007 ± 0.089 and w α = -0.222 ± 0.407 for the w 0 w α CDM model. Tension with a cosmological constant previously seen in an analysis of PS1 and low-z SNe has diminished after an increase of 2× in the statistics of the PS1 sample, improved calibration and photometry, and stricter light-curve quality cuts. We find that the systematic uncertainties in our measurements of dark energy are almost as large as the statistical uncertainties, primarily due to limitations of modeling the low-redshift sample. This must be addressed for future progress in using SNe Ia to measure dark energy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Solid phase sampling device and methods for point-source sampling of polar organic analytes

Sampling devices for sampling an aqueous source (e.g., field testing of ground water) for multiple different analytes are described. Devices include a solid phase extraction component for retention of a wide variety of targeted analytes. Devices include analyte derivatization capability for improved extraction of targeted analytes. Thus, a single device can be utilized to examine a sample source for a wide variety of analytes. Devices also include an isotope dilution capability that can prevent error introduction to the sample analysis and can correct for sample loss and degradation from the point of sampling until analysis as well as correction for incomplete or poor derivatization reactions. The devices can be field-deployable and rechargeable.

Boggess, Andrew J.↗
DOE OSTI2023

Solid-phase sampling device and methods for point-source sampling of polar organic analytes

Sampling devices for sampling an aqueous source (e.g., field testing of ground water) for multiple different analytes are described. Devices include a solid phase extraction component for retention of a wide variety of targeted analytes. Devices include analyte derivatization capability for improved extraction of targeted analytes. Thus, a single device can be utilized to examine a sample source for a wide variety of analytes. Devices also include an isotope dilution capability that can prevent error introduction to the sample analysis and can correct for sample loss and degradation from the point of sampling until analysis as well as correction for incomplete or poor derivatization reactions. The devices can be field-deployable and rechargeable.

Boggess, Andrew J.↗