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At least 217 records · Page 12

Sample Results from the Interim Salt Disposition Program Macrobatch 8 Tank 21H Qualification Samples

Savannah River National Laboratory (SRNL) analyzed samples from Tank 21H in support of qualification of Macrobatch (Salt Batch) 8 for the Interim Salt Disposition Program (ISDP). An Actinide Removal Process (ARP) and several Extraction-Scrub- Strip (ESS) tests were also performed. This document reports characterization data on the samples of Tank 21H as well as simulated performance of ARP and the Modular Caustic Side Solvent Extraction (CSSX) Unit (MCU). No issues with the projected Salt Batch 8 strategy are identified. A demonstration of the monosodium titanate (MST) (0.2 g/L) removal of strontium and actinides provided acceptable average decontamination factors for plutonium of 2.62 (4 hour) and 2.90 (8 hour); and average strontium decontamination factors of 21.7 (4 hour) and 21.3 (8 hour). These values are consistent with results from previous salt batch ARP tests. The two ESS tests also showed acceptable performance with extraction distribution ratios (D(Cs)) values of 52.5 and 50.4 for the Next Generation Solvent (NGS) blend (from MCU) and NGS (lab prepared), respectively. These values are consistent with results from previous salt batch ESS tests. Even though the performance is acceptable, SRNL recommends that a model for predicting extraction behavior for cesium removal for the blended solvent and NGS be developed in order to improve our predictive capabilities for the ESS tests.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Sample results from the Interim Salt Disposition Program Macrobatch 8 Tank 21H qualification samples

Savannah River National Laboratory (SRNL) analyzed samples from Tank 21H in support of qualification of Macrobatch (Salt Batch) 8 for the Interim Salt Disposition Program (ISDP). An Actinide Removal Process (ARP) and several Extraction-Scrub-Strip (ESS) tests were also performed. This document reports characterization data on the samples of Tank 21H as well as simulated performance of ARP and the Modular Caustic Side Solvent Extraction (CSSX) Unit (MCU). No issues with the projected Salt Batch 8 strategy are identified. A demonstration of the monosodium titanate (MST) (0.2 g/L) removal of strontium and actinides provided acceptable average decontamination factors for plutonium of 2.62 (4 hour) and 2.90 (8 hour); and average strontium decontamination factors of 21.7 (4 hour) and 21.3 (8 hour). These values are consistent with results from previous salt batch ARP tests. The two ESS tests also showed acceptable performance with extraction distribution ratios (D (Cs) ) values of 52.5 and 50.4 for the Next Generation Solvent (NGS) blend (from MCU) and NGS (lab prepared), respectively. These values are consistent with results from previous salt batch ESS tests. Even though the performance is acceptable, SRNL recommends that a model for predicting extraction behavior for cesium removal for the blended solvent and NGS be developed in order to improve our predictive capabilities for the ESS tests.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Storm Water Sampling results for 1-16-19 Sampling Event

In the California lndustrial General Permit (IGP) 2014-0057-DWQ for storm water monitoring, effective July 1, 2015, there are 21 contaminants that have been assigned NAL (Numeric Action Level) values, both annual and instantaneous. For annual NALs, an exceedance occurs when the average of all analytical results from all samples taken at a facility during a reporting year for a given parameter exceeds an annual NAL value listed in Table 2 of the General Permit. For instantaneous maximum NALs, an exceedance occurs when two or more analytical results from samples taken for any parameter within a reporting year exceed the instantaneous maximum NAL value (for TSS and O&G), or are outside of the instantaneous maximum NAL range (for pH) listed in Table 2.

54 ENVIRONMENTAL SCIENCES↗

Spectral evolution in high redshift quasars from the final Baryon Oscillation Spectroscopic Survey sample

We report on the diversity in quasar spectra from the Baryon Oscillation Spectroscopic Survey. After filtering the spectra to mitigate selection effects and Malmquist bias associated with a nearly flux-limited sample, we create high signal-to-noise ratio composite spectra from 58,656 quasars (2.1⩽z⩽3.5), binned by luminosity, spectral index, and redshift. With these composite spectra, we confirm the traditional Baldwin effect (BE, i.e., the anti-correlation of C iv equivalent width (EW) and luminosity) that follows the relation W{sub λ}∝L{sup β{sub w}} with slope β{sub w}=−0.35±0.004, −0.35 ± 0.005, and −0.41 ± 0.005 for z = 2.25, 2.46, and 2.84, respectively. In addition to the redshift evolution in the slope of the BE, we find redshift evolution in average quasar spectral features at fixed luminosity. The spectroscopic signature of the redshift evolution is correlated at 98% with the signature of varying luminosity, indicating that they arise from the same physical mechanism. At a fixed luminosity, the average C iv FWHM decreases with increasing redshift and is anti-correlated with C iv EW. The spectroscopic signature associated with C iv FWHM suggests that the trends in luminosity and redshift are likely caused by a superposition of effects that are related to black hole mass and Eddington ratio. The redshift evolution is the consequence of a changing balance between these two quantities as quasars evolve toward a population with lower typical accretion rates at a given black hole mass.

79 ASTRONOMY AND ASTROPHYSICS↗

Cosmic Voids in the SDSS DR12 BOSS Galaxy Sample: the Alcock–Paczyński test

We apply the Alcock–Paczyński (AP) test to stacked voids identified using the final data release (DR12) of the Baryon Oscillation Spectroscopic Survey (BOSS). We also use 1000 mock galaxy catalogs that match the geometry, density, and clustering properties of the BOSS sample in order to characterize the statistical uncertainties of our measurements and take into account systematic errors such as redshift space distortions. For both BOSS data and mock catalogs, we use the ZOBOV algorithm to identify voids, we stack together all voids with effective radii of 30--100 h{sup −1} Mpc in the redshift range of 0.43–0.7, and we accurately measure the shape of the stacked voids. Our tests with the mock catalogs show that we measure the stacked void ellipticity with a statistical precision of 2.6%. The stacked voids in redshift space are slightly squashed along the line of sight, consistent with previous studies. We repeat this measurement of stacked void shape in the BOSS data, assuming several values of Ω{sub m} within the flat ΛCDM model, and we compare this to the mock catalogs in redshift space to perform the AP test. We obtain a constraint of Ω{sub m}=0.38{sub −0.15}{sup +0.18} at the 68% confidence level from the AP test. We discuss the sources of statistical and systematic noise that affect the constraining power of this method. In particular, we find that the measured ellipticity of stacked voids changes more weakly with cosmology than the standard AP prediction, leading to significantly weaker constraints. We discuss how constraints will improve in future surveys with larger volumes and densities.

79 ASTRONOMY AND ASTROPHYSICS↗

NGEE Arctic Soil Pit and Core Inventory for Samples Collected Between 2016-2019: Locations, Sampling Characteristics, Collection, and Contacts, Seward Peninsula, Alaska, USA

This dataset includes associated information about individual pit and core samples (e.g., location, contact, date, data collected) sampled between 2016 and 2019 from NGEE Arctic sites at Teller (MM 27 and MM47), Kougarok (MM47 and MM56, Hillslope, and vegetation plot areas), and Council (MM71). The inventory is qualitative and excludes those datasets on soil pit cores that included time-series information. The package includes one each *.csv data file, *.kml and *.pdf. All quantitative data is available in the related datasets https://doi.org/10.5440/1417652, https://doi.org/10.5440/1423892, https://doi.org/10.5440/1342956, https://doi.org/10.5440/1854940, https://doi.org/10.5440/1544760, https://doi.org/10.5440/1346200, and https://doi.org/10.5440/1856042. The goal of this dataset is to help modelers understand when, where, and what data was collected with respect to physical soil properties on the Seward Peninsula, AK, USA over the course of NGEE Arctic’s campaigns in the region from 2016-2019. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Control of the positional relationship between a sample collection instrument and a surface to be analyzed during a sampling procedure using a laser sensor

A system and method utilizes distance-measuring equipment including a laser sensor for controlling the collection instrument-to-surface distance during a sample collection process for use, for example, with mass spectrometric detection. The laser sensor is arranged in a fixed positional relationship with the collection instrument, and a signal is generated by way of the laser sensor which corresponds to the actual distance between the laser sensor and the surface. The actual distance between the laser sensor and the surface is compared to a target distance between the laser sensor and the surface when the collection instrument is arranged at a desired distance from the surface for sample collecting purposes, and adjustments are made, if necessary, so that the actual distance approaches the target distance.

47 OTHER INSTRUMENTATION↗

Control of the positional relationship between a sample collection instrument and a surface to be analyzed during a sampling procedure with image analysis

A system and method utilizes an image analysis approach for controlling the collection instrument-to-surface distance in a sampling system for use, for example, with mass spectrometric detection. Such an approach involves the capturing of an image of the collection instrument or the shadow thereof cast across the surface and the utilization of line average brightness (LAB) techniques to determine the actual distance between the collection instrument and the surface. The actual distance is subsequently compared to a target distance for re-optimization, as necessary, of the collection instrument-to-surface during an automated surface sampling operation.

47 OTHER INSTRUMENTATION↗

Sampling Polymorphs of Ionic Solids using Random Superlattices

Polymorphism offers rich and virtually unexplored space for discovering novel functional materials. To harness this potential approaches capable of both exploring the space of polymorphs and assessing their realizability are needed. Here, one such approach devised for partially ionic solids is presented. The structure prediction part is carried out by performing local density functional theory relaxations on a large set of random supperlattices (RSLs) with atoms distributed randomly over different planes in a way that favors cation-anion coordination. Applying the RSL sampling on MgO, ZnO, and SnO 2 reveals that the resulting probability of occurrence of a given structure offers a measure of its realizability explaining fully the experimentally observed, metastable polymorphs in these three systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Toward Automated Sampling of Polymorph Nucleation and Free Energies with the SGOOP and Metadynamics

Understanding the driving forces behind the nucleation of different polymorphs is of great importance for material sciences and the pharmaceutical industry. This includes understanding the reaction coordinate that governs the nucleation process and correctly calculating the relative free energies of different polymorphs. Here, we demonstrate, for the prototypical case of urea nucleation from the melt, how one can learn such a one-dimensional reaction coordinate as a function of prespecified order parameters and use it to perform efficient biased all-atom molecular dynamics simulations. The reaction coordinate is learnt as a function of the generic thermodynamic and structural order parameters using the “spectral gap optimization of order parameters (SGOOP)” approach [Tiwary, P. and Berne, B. J. Proc. Natl. Acad. Sci. U.S.A. (2016)] and is biased using well-tempered metadynamics simulations. The reaction coordinate gives insights into the role played by different structural and thermodynamics order parameters, and the biased simulations obtain accurate relative free energies for different polymorphs. This includes an accurate prediction of the approximate pressure at which urea undergoes a phase transition and one of the metastable polymorphs becomes the most stable conformation. Here, we believe the ideas demonstrated in this work will facilitate efficient sampling of nucleation in complex, generic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synchrotron X-ray measurement techniques for thermal barrier coated cylindrical samples under thermal gradients

Measurement techniques to obtain accurate in situ synchrotron strain measurements of thermal barrier coating systems (TBCs) applied to hollow cylindrical specimens are presented in this work. The Electron Beam Physical Vapor Deposition coated specimens with internal cooling were designed to achieve realistic temperature gradients over the TBC coated material such as that occurring in the turbine blades of aeroengines. Effects of the circular cross section on the x-ray diffraction (XRD) measurements in the various layers, including the thermally grown oxide, are investigated using high-energy synchrotron x-rays. Multiple approaches for beam penetration including collection, tangential, and normal to the layers, along with variations in collection parameters are compared for their ability to attain high-resolution XRD data from the internal layers. This study displays the ability to monitor in situ, the response of the internal layers within the TBC, while implementing a thermal gradient across the thickness of the coated sample. The thermal setup maintained coating surface temperatures in the range of operating conditions, while monitoring the substrate cooling, for a controlled thermal gradient. Through variation in measurement location and beam parameters, sufficient intensities are obtained from the internal layers which can be used for depth resolved strain measurements. Results are used to establish the various techniques for obtaining XRD measurements through multi-layered coating systems and their outcomes will pave the way towards goals in achieving realistic in situ testing of these coatings.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗