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At least 109 records · Page 6

Dark Energy Survey Year 6 results: Clustering redshifts and importance sampling of self-organized-maps 𝑛⁡(𝑧) realizations for 3 × 2 ⁢pt samples

This work is part of a series establishing the redshift framework for the 3 × 2 ⁢pt analysis of the Dark Energy Survey Year 6 (DES Y6). For DES Y6, photometric redshift distributions are estimated using self-organizing maps (SOMs), calibrated with spectroscopic and many-band photometric data. To overcome limitations from color-redshift degeneracies and incomplete spectroscopic coverage, we enhance this approach by incorporating clustering-based redshift constraints (clustering-z, or WZ) from angular cross-correlations with BOSS and eBOSS galaxies and eBOSS quasar samples. We define a WZ likelihood and apply importance sampling to a large ensemble of SOM-derived 𝑛⁡(𝑧) realizations, selecting those consistent with the clustering measurements to produce a posterior sample for each lens and source bin. The analysis uses angular scales corresponding to 1.5–5 Mpc to optimize signal-to-noise ratio while mitigating modeling uncertainties and marginalizes over redshift-dependent galaxy bias and other systematics informed by the N-body simulation CARDINAL . While a sparser spectroscopic reference sample limits WZ constraining power at 𝑧 >1.1, particularly for source bins, we demonstrate that combining SOM with WZ improves redshift accuracy and enhances the overall cosmological constraining power of DES Y6. As a result, we estimate an improvement in 𝑆 8 of approximately 10% for cosmic shear and 3 ×2⁢pt analysis, primarily due to the WZ calibration of the source samples.

Cosmological parameters↗

Sample Results from the Integrated Salt Disposition Program Macrobatch 5 Tank 21H Qualification MST, ESS and PODD Samples

Savannah River National Laboratory (SRNL) performed experiments on qualification material for use in the Integrated Salt Disposition Program (ISDP) Batch 5 processing. This qualification material was a composite created from recent samples from Tank 21H and archived samples from Tank 49H to match the projected blend from these two tanks. Additionally, samples of the composite were used in the Actinide Removal Process (ARP) and extraction-scrub-strip (ESS) tests. ARP and ESS test results met expectations. A sample from Tank 21H was also analyzed for the Performance Objectives Demonstration Document (PODD) requirements. SRNL was able to meet all of the requirements, including the desired detection limits for all the PODD analytes. This report details the results of the Actinide Removal Process (ARP), Extraction-Scrub-Strip (ESS) and Performance Objectives Demonstration Document (PODD) samples of Macrobatch (Salt Batch) 5 of the Integrated Salt Disposition Program (ISDP).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Report on Electrochemcial Corrosion Testing of 241-SY-102 Grab Samples from the 2012 Grab Sampling Campaign

This report describes the results of the electrochemical testing performed on tank 241-SY-102 (SY-102) grab samples that were collected in support of corrosion mitigation. The objective of the work presented here was to determine corrosion resistance of tank SY-102 to the grab samples collected using electrochemical methods up to 50°C as well as to satisfy data quality objectives. Grab samples were collected at multiple elevations from Riser 003. The electrochemical corrosion testing was planned to consist of linear polarization resistance testing (LPR) and cyclic potentiodynamic polarization (CPP) testing at 50°C. The temperature would be lowered to 40 °C and the test repeated if the CPP curve indicated pitting corrosion at 50°C. If no pitting was indicated by the CPP curve, then a duplicate scan would be repeated at 50°C to confirm the first result. The testing would be complete if the duplicate CPP scan was consistent with the first. This report contains the CPP results of the testing of grab sample 2SY-12-03 and 2SY-12-03DUP composite sample tested under these conditions. There was no indication of pitting at 50°C, and the duplicate scan was in agreement with the first scan. Since no further testing was required, a third scan with a shorter rest time was performed and is present in this report.

36 MATERIALS SCIENCE↗

Solvent Hold Tank Sample Results for MCU-13-1403/1404/1405/1406/1407/1408: Quarterly Sample from September 2013

Savannah River National Laboratory (SRNL) analyzed solvent samples from the Modular Caustic-Side Solvent Extraction Unit (MCU) in support of continuing operations. A quarterly analysis of the solvent is required to maintain solvent composition within specifications. Analytical results of the analyses of Solvent Hold Tank (SHT) samples MCU-13-1403, MCU-13-1404, MCU-13-1405, MCU-13-1406, MCU-13-1407, and MCU-13-1408 received on September 17, 2013 are reported. This sample was taken after the addition of the Next Generation Solvent (NGS) cocktail to produce a NGS-MCU blended solvent. The results show that the solvent contains a slight excess of Isopar ® L and a deficit concentration of modifier and TiDG when compared to the target composition. Addition of TiDG trim is recommended. SRNL also analyzed the SHT sample for 137 Cs content and determined the measured value is within tolerance and that the value has returned to levels observed in 2011. In contrast to what was observed in the heel prior to adding the NGS cocktail, no organic impurities were detected in these solvent samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Solvent Hold Tank Sample Results For MCU-15-750-751-752-: June Monthly Sample

Savannah River National Laboratory (SRNL) received one set of Solvent Hold Tank (SHT) samples (MCU-15-750, MCU-15-751, and MCU-15-752), pulled on 06/22/2015 for analysis. The samples were combined and analyzed for composition. Analysis of the composite sample MCU-15-750-751-752 indicated a low concentration (~ 49 % of nominal) of the suppressor (TiDG) and slightly lower than nominal concentrations of the extractant (MaxCalix), and of the modifier (Cs-7SB) in the solvent. This analysis confirms the addition of TiDG, MaxCalix, and modifier to the solvent in February 2015. Based on the current monthly sample, the levels of TiDG, MaxCalix, and modifier are sufficient for continuing operation without adding a trim at this time but it is recommended that an addition of TiDG, modifier and Isopar™L should be made in the near future. 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 13.9 micrograms of mercury per gram of solvent (or 11.5 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.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Solvent hold tank sample results for MCU-15-914-915-916. December 2015 Monthly sample

Savannah River National Laboratory (SRNL) received one set of Solvent Hold Tank (SHT) samples (MCU-15-914-915-916), pulled on 12/22/2015 for analysis. The samples were combined and analyzed for composition. Analysis of the composite sample MCU-15-914-915-916 indicated the TiDG, Isopar™L, and MaxCalix are at nominal levels. The modifier concentration is 3% below its nominal concentration. This analysis confirms the addition of TiDG, MaxCalix, and modifier to the solvent in November 2015. 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, the Fourier transform infra-red spectroscopy (FTIR) method detected trace levels (a few ppm) of amides (more indicative of bacteria than a possible degradation product of TiDG). In addition, up to 18 ± 4 micrograms of mercury per gram of solvent (or 14.8 μg/mL) was detected in this sample. The current gamma concentration level (8.48E4 dpm/mL) confirmed that the gamma concentration has returned to the previous level where the process operated normally as expected. The laboratory will continue to monitor the quality of the solvent in particular for any new impurities or degradation of the solvent components.

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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.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

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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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↗

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↗

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↗

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↗

Evaluate Disposable Sample Chips and Complete the Evaluation of Sample Accuracy Through Evaluation of Chip Filling Methods

In FY-12, the glass sample chips were filled by capillary action when they were dipped into the solutions being sampled either by hand or by the robotic sampling system. Issues were noted at the end of FY-12 that many of the channels were not completely filling (10-15% of the 10 μl channels and up to 40% of the 2 μl channels). Therefore, testing was conducted in FY-13 on filling the glass sample chips by use of a flow-through header (Table 1). Results indicate flow through filling is better at completely filling the chip channels, although some amount of solution can be lost when the chip is removed from the filling header.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

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.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

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.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

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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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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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.↗