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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

THE SL2S GALAXY-SCALE LENS SAMPLE. III. LENS MODELS, SURFACE PHOTOMETRY, AND STELLAR MASSES FOR THE FINAL SAMPLE

We present Hubble Space Telescope (HST) imaging data and Canada-France-Hawaii Telescope (CFHT) near-infrared ground-based images for the final sample of 56 candidate galaxy-scale lenses uncovered in the CFHT Legacy Survey as part of the Strong Lensing in the Legacy Survey project. The new images are used to perform lens modeling, measure surface photometry, and estimate stellar masses of the deflector early-type galaxies (ETGs). Lens modeling is performed on the HST images (or CFHT when HST is not available) by fitting the spatially extended light distribution of the lensed features assuming a singular isothermal ellipsoid mass profile and by reconstructing the intrinsic source light distribution on a pixelized grid. Based on the analysis of systematic uncertainties and comparison with inference based on different methods, we estimate that our Einstein radii are accurate to ∼3%. HST imaging provides a much higher success rate in confirming gravitational lenses and measuring their Einstein radii than CFHT imaging does. Lens modeling with ground-based images, however, when successful, yields Einstein radius measurements that are competitive with space-based images. Information from the lens models is used together with spectroscopic information from companion Paper IV to classify the systems, resulting in a final sample of 39 confirmed (grade A) lenses and 17 promising candidates (grade B,C). This represents an increase of half an order of magnitude in sample size with respect to the sample of confirmed lenses studied in Papers I and II. The Einstein radii of the confirmed lenses in our sample span the range 5-15 kpc and are typically larger than those of other surveys, probing the mass in regions where the dark matter contribution is more important. Stellar masses are in the range 10{sup 11}-10{sup 12} M{sub ☉}, covering the range of massive ETGs. The redshifts of the main deflector span a range 0.3 ≤ z{sub d} ≤ 0.8, which nicely complements low-redshift samples like the Sloan Lens ACS survey and thus provides an excellent sample for the study of the cosmic evolution of the mass distribution of ETGs over the second half of the history of the universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

MPLEx: a Robust and Universal Protocol for Single-Sample Integrative Proteomic, Metabolomic, and Lipidomic Analyses

In systems biology studies, the integration of multiple omics measurements (i.e., genomics, transcriptomics, proteomics, metabolomics, and lipidomics) has been shown to provide a more complete and informative view of biological pathways. Thus, the prospect of extracting different types of molecules (e.g., DNAs, RNAs, proteins, and metabolites) and performing multiple omics measurements on single samples is very attractive, but such studies are challenging due to the fact that the extraction conditions differ according to the molecule type. Here, we adapted an organic solvent-based extraction method that demonstrated broad applicability and robustness, which enabled comprehensive proteomics, metabolomics, and lipidomics analyses from the same sample.

Nakayasu, Ernesto S.↗
DOE OSTI2014

Sample Preparation Report of the Fourth OPCW Confidence Building Exercise on Biomedical Sample Analysis

Following the successful completion of the 3rd biomedical confidence building exercise (February 2013 – March 2013), which included the analysis of plasma and urine samples spiked at low ppb levels as part of the exercise scenario, another confidence building exercise was targeted to be conducted in 2014. In this 4th exercise, it was desired to focus specifically on the analysis of plasma samples. The scenario was designed as an investigation of an alleged use of chemical weapons where plasma samples were collected, as plasma has been reported to contain CWA adducts which remain present in the human body for several weeks (Solano et al. 2008). In the 3rd exercise most participants used the fluoride regeneration method to analyze for the presence of nerve agents in plasma samples. For the 4th biomedical exercise it was decided to evaluate the analysis of human plasma samples for the presence/absence of the VX adducts and aged adducts to blood proteins (e.g., VX-butyrylcholinesterase (BuChE) and aged BuChE adducts using a pepsin digest technique to yield nonapeptides; or equivalent). As the aging of VX-BuChE adducts is relatively slow (t1/2 = 77 hr at 37 °C [Aurbek et al. 2009]), soman (GD), which ages much more quickly (t1/2 = 9 min at 37 °C [Masson et al. 2010]), was used to simulate an aged VX sample. Additional objectives of this exercise included having laboratories assess novel OP-adducted plasma sample preparation techniques and analytical instrumentation methodologies, as well as refining/designating the reporting formats for these new techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
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 OSTI2011

Nyquist-Shannon sampling theorem applied to refinements of the atomic pair distribution function

We have systematically studied the optimal real-space sampling of atomic pair distribution (PDF) data by comparing refinement results from oversampled and resampled data. Based on nickel and a complex perovskite system, we show that not only is the optimal sampling bounded by the Nyquist interval described by the Nyquist-Shannon (NS) sampling theorem as expected, but near this sampling interval, the data points in the PDF are minimally correlated, which results in more reliable uncertainty estimates in the modeling. Surprisingly, we find that PDF refinements quickly become unstable for data on coarser grids. Although the Nyquist-Shannon sampling theorem is well known, it has not been applied to PDF refinements, despite the growing popularity of the PDF method and its adoption in a growing number of communities. Here, we give explicit expressions for the application of NS sampling theorem to the PDF case, and establish through modeling that it is working in practice, which lays the groundwork for this to become more widely adopted. This has implications for the speed and complexity of possible refinements that can be carried out many times faster than currently with no loss of information, and it establishes a theoretically sound limit on the amount of information contained in the PDF that will prevent over-parametrization during modeling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Real sample temperature: a critical issue in the experiments of nuclear resonant vibrational spectroscopy on biological samples

There are several practical and intertangled issues which make the experiments of nuclear resonant vibrational spectroscopy (NRVS) on biological samples difficult to perform. The sample temperature is one of the most important issues. In NRVS the real sample temperatures can be very different from the readings on the temperature sensors. In this study the following have been performed: (i) citing and analyzing various existing NRVS data to assess the real sample temperatures during the NRVS measurements and to understand their trends with the samples’ loading conditions; (ii) designing several NRVS measurements with (Et 4 N)[FeCl 4 ] to verify these trends; and (iii) proposing a new sampleloading procedure to achieve significantly lower real sample temperatures and to balance among the intertangled experimental issues in biological NRVS measurements.

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 OSTI2015

In-situ monitoring of flow-permeable surface area of high explosive powder using small sample masses

To ensure good performance of high explosive devices over long periods of time, initiating powders need to maintain their specific surface area within allowed margins during the entire duration of deployment. A common diagnostic used in this context is the Fisher sub-sieve surface area (FSSA). Furthermore, commercial permeametry instruments measuring the FSSA requires the utilization of a sample mass equal to the crystal density of the sample material, an amount that is often one or two orders of magnitude larger than the typical masses found in standard detonator applications. Here we develop a customization of the standard device that can utilize just tens of milligram samples, and with simple calibration yield FSSA values at ac curacy levels comparable to the standard apparatus. This necessitated a newly designed sample holder, made from a material of low coefficient of thermal expansion, which is conveniently transferred between an aging chamber and a re-designed permeametry tube. This improves the fidelity of accelerated aging studies by allowing measurement on the same physical sample at various time - instants during the aging process, and by obviating the need for a potentially FSSA-altering powder re-compaction step. We used the customized apparatus to monitor the FSSA evolution of a number of undoped and homolog-doped PETN powder samples that were subjected to artificial aging for several months at elevated temperatures. These results, in conjunction with an Arrhenius-based aging model were used to assess powder-coarsening - rates under long-term storage.

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

MASS CALIBRATION AND COSMOLOGICAL ANALYSIS OF THE SPT-SZ GALAXY CLUSTER SAMPLE USING VELOCITY DISPERSION σ {sub v} AND X-RAY Y {sub X} MEASUREMENTS

We present a velocity-dispersion-based mass calibration of the South Pole Telescope Sunyaev-Zel'dovich effect survey (SPT-SZ) galaxy cluster sample. Using a homogeneously selected sample of 100 cluster candidates from 720 deg{sup 2} of the survey along with 63 velocity dispersion (σ {sub v}) and 16 X-ray Y {sub X} measurements of sample clusters, we simultaneously calibrate the mass-observable relation and constrain cosmological parameters. Our method accounts for cluster selection, cosmological sensitivity, and uncertainties in the mass calibrators. The calibrations using σ {sub v} and Y {sub X} are consistent at the 0.6σ level, with the σ {sub v} calibration preferring ∼16% higher masses. We use the full SPT{sub CL} data set (SZ clusters+σ {sub v}+Y {sub X}) to measure σ{sub 8}(Ω{sub m}/0.27){sup 0.3} = 0.809 ± 0.036 within a flat ΛCDM model. The SPT cluster abundance is lower than preferred by either the WMAP9 or Planck+WMAP9 polarization (WP) data, but assuming that the sum of the neutrino masses is ∑m {sub ν} = 0.06 eV, we find the data sets to be consistent at the 1.0σ level for WMAP9 and 1.5σ for Planck+WP. Allowing for larger ∑m {sub ν} further reconciles the results. When we combine the SPT{sub CL} and Planck+WP data sets with information from baryon acoustic oscillations and Type Ia supernovae, the preferred cluster masses are 1.9σ higher than the Y {sub X} calibration and 0.8σ higher than the σ {sub v} calibration. Given the scale of these shifts (∼44% and ∼23% in mass, respectively), we execute a goodness-of-fit test; it reveals no tension, indicating that the best-fit model provides an adequate description of the data. Using the multi-probe data set, we measure Ω{sub m} = 0.299 ± 0.009 and σ{sub 8} = 0.829 ± 0.011. Within a νCDM model we find ∑m {sub ν} = 0.148 ± 0.081 eV. We present a consistency test of the cosmic growth rate using SPT clusters. Allowing both the growth index γ and the dark energy equation-of-state parameter w to vary, we find γ = 0.73 ± 0.28 and w = –1.007 ± 0.065, demonstrating that the expansion and the growth histories are consistent with a ΛCDM universe (γ = 0.55; w = –1)

79 ASTRONOMY AND ASTROPHYSICS↗