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At least 1,207 records · Page 67

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DOE OSTI2018

Correlations between Salt-Induced Crystallization, Morphology, Segmental Dynamics, and Conductivity in Amorphous Block Copolymer Electrolytes

Block copolymer electrolytes have been shown to increase the cycle life of rechargeable batteries that utilize high capacity lithium anodes. Most block copolymer electrolyte studies have been centered on polystyrene-b-poly(ethylene oxide) (SEO) mixed with lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) salt and are limited to salt concentrations in the vicinity of r[Li]/[EO] = 0.1, where [Li] and [EO] are the concentration of lithium and ethylene oxide moieties, respectively, as the conductivity of poly(ethylene oxide) (PEO) homopolymer electrolytes is maximized at this concentration.Here, in this paper, we study the morphology and conductivity of electrolytes derived from a high molecular weight SEO block copolymer over the wide LiTFSI concentration range of 0 ≤ r ≤ 0.550. For electrolytes with r ≥ 0.125, the crystallization of PEO-LiTFSI complexes with stoichiometric ratios of 6:1, 3:1, or 2:1 (EO:Li) is shown to correlate with morphology as determined by small-angle X-ray scattering (SAXS) and scanning transmission electron microscopy (STEM): some samples that are semicrystalline at room temperature exhibit regions of periodic lamellar ordering, whereas those that do not crystallize have aperiodic packed-ellipsoid morphologies. SAXS profiles below and above the melting temperatures of the crystals are identical, indicating that the crystals are confined within the block copolymer domains. The conductivities of SEO/LiTFSI mixtures with r = 0.275, r = 0.300, and r = 0.350 are within experimental error of PEO/LiTFSI at the same salt concentrations, in spite of the presence of insulating polystyrene (PS) domains in the SEO/LiTFSI samples. We attribute this to enhanced segmental dynamics of the PEO chains in the SEO electrolytes, based on differential scanning calorimetry (DSC) measurements of glass transition temperatures. The dependence of ionic conductivity on salt concentration in the SEO/LiTFSI electrolytes at temperatures above the melting temperature of the crystalline complexes shows three local maxima that correlate with the formation of crystalline complexes when r ≥ 0.125. Finally, these maxima arise due to a combination of the enhanced segmental dynamics and changes in morphology observed by SAXS and STEM.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Dark Energy Survey Year 3 results: redshift calibration of the MagLim lens sample from the combination of SOMPZ and clustering and its impact on cosmology

ABSTRACT We present an alternative calibration of the MagLim lens sample redshift distributions from the Dark Energy Survey (DES) first 3 yr of data (Y3). The new calibration is based on a combination of a self-organizing-map-based scheme and clustering redshifts to estimate redshift distributions and inherent uncertainties, which is expected to be more accurate than the original DES Y3 redshift calibration of the lens sample. We describe in detail the methodology, and validate it on simulations and discuss the main effects dominating our error budget. The new calibration is in fair agreement with the fiducial DES Y3 n(z) calibration, with only mild differences (<3σ) in the means and widths of the distributions. We study the impact of this new calibration on cosmological constraints, analysing DES Y3 galaxy clustering and galaxy–galaxy lensing measurements, assuming a Lambda cold dark matter cosmology. We obtain Ωm = 0.30 ± 0.04, σ8 = 0.81 ± 0.07, and S8 = 0.81 ± 0.04, which implies a ∼0.4σ shift in the Ω − S8 plane compared to the fiducial DES Y3 results, highlighting the importance of the redshift calibration of the lens sample in multiprobe cosmological analyses.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRSDate not supplied

Optimizing Altitude Sampling and Sensitivity with the Goldstone Orbital Debris Radar

The NASA Orbital Debris Program Office (ODPO) has used the Goldstone Orbital Debris Radar (Goldstone) since 1993 to characterize orbital debris (OD) in low Earth orbit too small to be tracked by the U.S. Space Surveillance Network. Operated by NASA’s Jet Propulsion Laboratory, Goldstone can measure OD as small as 3 mm at 1000 km altitude and lower. Goldstone is a bistatic radar that for 25 years used Deep Space Station (DSS)-14 as a transmitter and DSS-15 as a receiver. In early 2018, DSS-15 was decommissioned and replaced with DSS-25 (and occasionally DSS-26) of the Deep Space Network Apollo Cluster. The increased baseline between DSS-14 and DSS-25 significantly reduced the instantaneous altitude coverage of the bistatic beam overlap. Initial measurements in 2018 were focused around 800 km, which has approximately the highest flux of sub-centimeter debris. In 2019, DSS-14 was offline for maintenance, and the ODPO designed an annual survey observation plan to efficiently sample altitudes from 700 km to 1000 km, since many NASA satellites fly in this range. This paper discusses the observation plan, including the development of the pointings, a refinement of the altitudes of interest, and an analysis of the effects of random pointing errors on beam overlap. Additionally, results from measurements taken in 2020 and 2021 are presented, showing that not only is the observation plan effective at sampling 700 km to 1000 km altitude, but it is also producing the most sensitive terrestrial radar measurements at these altitudes to date.

James Murray↗

NASA NTRS2023

Optimizing Altitude Sampling and Sensitivity with the Goldstone Orbital Debris Radar

James Murray↗

DOE OSTI2025

Simulation driven adaptive sampling for neutron-diffraction based strain mapping of additively manufactured parts

Neutron diffraction based strain mapping is a useful technique for measuring residual strains in additively manufactured (AM) metal parts. The measurement is traditionally done by scanning the sample in a point-wise raster pattern to extract the strain at each position. Since the overall scan can span several hours, adaptive sampling approaches using Bayesian optimization based on Gaussian process (BO-GP) regression have been introduced—demonstrating that even with a fraction of the typically made measurements the dominant strain patterns in the sample can be reconstructed. However, the parameters of the BO-GP algorithm have to be carefully chosen for best performance, and the movement time between arbitrary points can offset the time savings from a reduced number of measurement locations. In this paper, we propose algorithms to refine the BO-GP based methods by using simulations of strain patterns in AM parts based on the materials and the process used to print them. We demonstrate that the simulated strain patterns can be used to help choose better parameters for the BO-GP based framework—leading to low reconstruction error for the final strain pattern. Furthermore, we show that the strain mapping experiment can be initialized with a sampling pattern learnt from the simulation data and ordered to reduce movement time, dramatically enabling reduction in the overall time required to run the baseline BO-GP method.

Gaussian process regression↗

DOE OSTI2019

Compressing unstructured mesh data from simulations using machine learning

The amount of data output from a computer simulation has grown to terabytes and petabytes as increasingly complex simulations are being run on massively parallel systems. As we approach exaflop computing in the next decade, it is expected that the I/O subsystem will not be able to write out these large volumes of data. In this paper, we explore the use of machine learning to compress the data before it is written out. Despite the computational constraints that limit us to using very simple learning algorithms, our results show that machine learning is a viable option for compressing unstructured data. Furthermore, we demonstrate that by simply using a better sampling algorithm to generate the training set, we can obtain more accurate results compared to random sampling, but at no extra cost. Further, by carefully selecting and incorporating points with high prediction error, we can improve reconstruction accuracy without sacrificing the compression rate.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

malbacR: A Package for Standardized Implementation of Batch Correction Methods for Omics Data

Mass spectrometry is a powerful tool for identifying and analyzing small molecules, such as metabolites and lipids, in com-plex biological samples. Liquid chromatography and gas chromatography mass spectrometry studies quite commonly in-volve large numbers of samples, which can require significant time for sample preparation and analyses. To accommodate such studies, the samples are commonly split into batches. Inevitably, variations in sample handling, temperature fluctua-tion, imprecise timing, column degradation and other factors result in systematic errors or biases of the measured abundances between the batches. Numerous methods are available via R packages to assist with batch correction for small molecule om-ics data; however, since these methods were developed by different research teams, the algorithms are available in separate R packages, each with different data input and output formats. We introduce the malbacR package which consolidates eleven common batch effect correction methods for small molecule omics data into one place so users can easily implement and compare: pareto scaling, power scaling, range scaling, ComBat, EigenMS, NOMIS, RUV-random, QC-RLSC, WaveI-CA2.0, TIGER, and SERRF. The malbacR package standardizes data input and output formats across these batch correction methods. The package works in conjunction with the pmartR package, allowing users to seamlessly include batch effect cor-rection in a pmartR workflow without needing any additional data manipulation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Analytical comparisons of handheld LIBS and XRF devices for rapid quantification of gallium in a plutonium surrogate matrix

This work compares a portable laser-induced breakdown spectroscopy (LIBS) analyzer to a portable X-ray fluorescence (XRF) device for quantification of gallium (Ga) in a plutonium surrogate matrix of cerium (Ce) for the first time. Calibration methods are developed with spectra of Ce–Ga samples from both devices. Here, metrics such as limit of detection (LoD) and mean average percent error (MAPE) are examined to evaluate calibration performance. While the portable LIBS device can yield a nearly instantaneous analytical measurement, its accuracy is hampered by self-absorption. By employing a self-absorption correction and increasing gating delay, LIBS calibrations with errors in the low single percents and LoDs of 0.1% Ga were constructed. The XRF device produces calibrations with superlative sensitivity, yielding LoDs for gallium in the low tens of parts-per-million (ppm), two orders of magnitude lower than the corrected LIBS models. However, a clear trade-off of measurement fidelity is established between the instantaneous analysis of the LIBS device and the minutes-long XRF measurement yielding superior detection limits.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Temperature Sensitivity Study of Eddy Current and Digital Gauge Probes for Nuclear Fuel Rod Oxide Measurement

Temperature Sensitivity Study of Eddy Current and Digital Gauge Probes for Nuclear Fuel Rod Oxide Measurement Faith R. Beck, Department of Mechanical Engineering, Penn State University, State College, PA R. Paul Lind and James A. Smith, Idaho National Laboratory, Idaho Falls, ID Novel fuels are part of the nationwide effort to reduce the enrichment of Uranium for energy production. Performance of such fuels is determined by irradiating their surfaces. To test irradiated samples, the machinery must operate remotely. The plate checker used in this experiment at Idaho National Lab (INL) performs non-destructive testing on fuel rod and plate geometries with two different types of sensors: eddy current and digital thickness gauges. The sensors measure oxide growth and total sample thickness on research fuels, respectively. Sensor measurement accuracy is crucial because even 10 microns of error is significant when determining the viability of an experimental fuel. One parameter known to affect the eddy current and thickness gauge sensors is temperature. Since both sensor accuracies depend on the ambient temperature of the system, the plate checker has been characterized for these sensitivities. The eddy current probes were tested previously in a non-radioactive environment and are noted to have sensitivity to temperature. The manufacturer of the digital gauge probes has noted a rather large coefficient of thermal expansion for their linear scale. It should also be noted that the accuracy of the digital gauge probes are specified at 20°C, which is approximately 7°C cooler than the average hot-cell temperature. In this work, the effect of temperature on the eddy current and digital gauge probes is studied, and thickness measurements are given as empirical functions of temperature. Acknowledgement: This work was supported by the INL and the DOE office of NNSA (National Nuclear Safety Administration).

36 MATERIALS SCIENCE↗

DOE OSTI2018

The Data Release of the Sloan Digital Sky Survey-II Supernova Survey

This paper describes the data release of the Sloan Digital Sky Survey-II (SDSS-II) Supernova Survey conducted between 2005 and 2007. Light curves, spectra, classifications, and ancillary data are presented for 10,258 variable and transient sources discovered through repeat ugriz imaging of SDSS Stripe 82, a 300 deg2 area along the celestial equator. This data release is comprised of all transient sources brighter than r~22.5 mag with no history of variability prior to 2004. Dedicated spectroscopic observations were performed on a subset of 889 transients, as well as spectra for thousands of transient host galaxies using the SDSS-III BOSS spectrographs. Photometric classifications are provided for the candidates with good multi-color light curves that were not observed spectroscopically. From these observations, 4607 transients are either spectroscopically confirmed, or likely to be, supernovae, making this the largest sample of supernova candidates ever compiled. We present a new method for SN host-galaxy identification and derive host-galaxy properties including stellar masses, star-formation rates, and the average stellar population ages from our SDSS multi-band photometry. We derive SALT2 distance moduli for a total of 1443 SN Ia with spectroscopic redshifts as well as photometric redshifts for a further 677 purely-photometric SN Ia candidates. Using the spectroscopically confirmed subset of the three-year SDSS-II SN Ia sample and assuming a flat Lambda-CDM cosmology, we determine Omega_M = 0.315 +/- 0.093 (statistical error only) and detect a non-zero cosmological constant at 5.7 sigmas.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

DESI peculiar velocity survey – Fundamental Plane

The Dark Energy Spectroscopic Instrument (DESI) peculiar velocity survey aims to measure the peculiar velocities of early- and late-type galaxies within the DESI footprint using both the Fundamental Plane and optical Tully–Fisher relations. Direct measurements of peculiar velocities can significantly improve constraints on the growth rate of structure, reducing uncertainty by a factor of approximately 2.5 at redshift 0.1 compared to the DESI Bright Galaxy Survey’s redshift space distortion measurements alone. We assess the quality of stellar velocity dispersion measurements from DESI spectroscopic data. These measurements, along with photometric data from the Legacy Survey, establish the Fundamental Plane relation and determine distances and peculiar velocities of early-type galaxies. During survey validation, we obtain spectra for 6698 unique early-type galaxies, up to a photometric redshift of 0.15. 64 per cent of observed galaxies (4267) have relative velocity dispersion errors below 10 per cent. This percentage increases to 75 per cent if we restrict our sample to galaxies with spectroscopic redshifts below 0.1. We use the measured central velocity dispersion, along with photometry from the DESI Legacy Imaging Surveys, to fit the Fundamental Plane parameters using a 3D Gaussian maximum likelihood algorithm that accounts for measurement uncertainties and selection cuts. In addition, we conduct zero-point calibration using the absolute distance measurements to the Coma cluster, leading to a value of the Hubble constant, H 0 = 76.05 ± 0.35 (statistical) ±0.49 (systematic Fundamental Plane) ±4.86 (statistical due to calibration) km s –1 Mpc –1 ⁠. This H 0 value is within 2σ of Planck cosmic microwave background results and within 1σ of other low-redshift distance indicator-based measurements.

cosmological parameters↗

DOE OSTI2019

GUNDAM: a toolkit for fast spatial correlation functions in galaxy surveys

ABSTRACT We describe the capabilities of a new software package to calculate two-point correlation functions (2PCFs) of large galaxy samples. The code can efficiently estimate 3D/projected/angular 2PCFs with a variety of statistical estimators and bootstrap errors, and is intended to provide a complete framework (including calculation, storage, manipulation, and plotting) to perform this type of spatial analysis with large redshift surveys. Gundam implements a very fast skip list/linked list algorithm that efficiently counts galaxy pairs and avoids the computation of unnecessary distances. It is several orders of magnitude faster than a naive pair counter, and matches or even surpass other advanced algorithms. The implementation is also embarrassingly parallel, making full use of multicore processors or large computational clusters when available. The software is designed to be flexible, user friendly and easily extensible, integrating optimized, well-tested packages already available in the astronomy community. Out of the box, it already provides advanced features such as custom weighting schemes, fibre collision corrections and 2D correlations. Gundam will ultimately provide an efficient toolkit to analyse the large-scale structure ‘buried’ in upcoming extremely large data sets generated by future surveys.

Donoso, E.↗

DOE OSTI2019

Dark Energy Survey Year 1 results: constraints on intrinsic alignments and their colour dependence from galaxy clustering and weak lensing

Abstract We perform a joint analysis of intrinsic alignments and cosmology using tomographic weak lensing, galaxy clustering, and galaxy–galaxy lensing measurements from Year 1 (Y1) of the Dark Energy Survey. We define early- and late-type subsamples, which are found to pass a series of systematics tests, including for spurious photometric redshift error and point spread function correlations. We analyse these split data alongside the fiducial mixed Y1 sample using a range of intrinsic alignment models. In a fiducial non-linear alignment model analysis, assuming a flat Λ cold dark matter cosmology, we find a significant difference in intrinsic alignment amplitude, with early-type galaxies favouring $A_\mathrm{IA} = 2.38^{+0.32}_{-0.31}$ and late-type galaxies consistent with no intrinsic alignments at $0.05^{+0.10}_{-0.09}$. The analysis is repeated using a number of extended model spaces, including a physically motivated model that includes both tidal torquing and tidal alignment mechanisms. In multiprobe likelihood chains in which cosmology, intrinsic alignments in both galaxy samples and all other relevant systematics are varied simultaneously, we find the tidal alignment and tidal torquing parts of the intrinsic alignment signal have amplitudes $A_1 = 2.66 ^{+0.67}_{-0.66}$, $A_2=-2.94^{+1.94}_{-1.83}$, respectively, for early-type galaxies and $A_1 = 0.62 ^{+0.41}_{-0.41}$, $A_2 = -2.26^{+1.30}_{-1.16}$ for late-type galaxies. In the full (mixed) Y1 sample the best constraints are $A_1 = 0.70 ^{+0.41}_{-0.38}$, $A_2 = -1.36 ^{+1.08}_{-1.41}$. For all galaxy splits and IA models considered, we report cosmological parameter constraints consistent with the results of the main DES Y1 cosmic shear and multiprobe cosmology papers.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Investigation of assumptions and approximations in the virtual fields method for a viscoplastic material model

The Virtual Fields Method (VFM) is an inverse technique used for parameter estimation and calibration of constitutive models. Many assumptions and approximations—such as plane stress, incompressible plasticity, and spatial and temporal derivative calculations—are required to use VFM with full-field deformation data, for example, from Digital Image Correlation (DIC). Here, this work presents a comprehensive discussion of the effects of these assumptions and approximations on parameters identified by VFM for a viscoplastic material model for 304L stainless steel. We generated synthetic data from a Finite-Element Analysis (FEA) in order to have a reference solution with a known material model and known model parameters, and we investigated four cases in which successively more assumptions and approximations were included in the data. We found that VFM is tolerant to small deviations from the plane stress condition in a small region of the sample, and that the incompressible plasticity assumption can be used to estimate thickness changes with little error. A local polynomial fit to the displacement data was successfully employed to compute the spatial displacement gradients. The choice of temporal derivative approximation (i.e., backwards difference versus central difference) was found to have a significant influence on the computed rate of deformation and on the VFM results for the rate-dependent model used in this work. Finally, the noise introduced into the displacement data from a stereo-DIC simulator was found to have negligible influence on the VFM results. Evaluating the effects of assumptions and approximations using synthetic data is a critical first step for verifying and validating VFM for specific applications. Finally, the results of this work provide the foundation for confidently using VFM for experimental data.

304L stainless steel↗

DOE OSTI2024

Process damping identification using Bayesian learning and time domain simulation

Process damping can provide improved machining productivity by increasing the stability limit at low spindle speeds. However, existing methods for identifying process damping models experimentally require specialized setups and/or multiple cutting tests. While the phenomenon is well known, the modeling challenges limit pre-process parameter selection that leverages the potential increases in material removal rates. This paper proposes a physics-informed Bayesian method that can identify the cutting force and process damping models from a limited set of test cuts without requiring direct measurements of cutting force or vibration. The method uses time domain simulation to incorporate process damping and provide a basis for test selection. Here, new strategies for efficient sampling and dimensionality reduction are applied to lower computation time and minimize the effect of model error. The proposed method is demonstrated and the identified cutting and damping force coefficients are compared to values obtained using machining tests and least-squares fitting.

42 ENGINEERING↗

DOE OSTI2017

Quantifying the Accuracy and Uncertainty of Diurnal Thermodynamic Profiles and Convection Indices Derived from the Atmospheric Emitted Radiance Interferometer

Abstract While radiosondes have provided atmospheric scientists an accurate high-vertical-resolution profile of the troposphere for decades, they are unable to provide high-temporal-resolution observations without significant recurring expenses. Remote sensing technology, however, has the ability to monitor the evolution of the atmosphere in unprecedented detail. One particularly promising tool is the Atmospheric Emitted Radiance Interferometer (AERI), a passive ground-based infrared radiometer. Through a physical retrieval, the AERI can retrieve the vertical profile of temperature and humidity at a temporal resolution on the order of minutes. The synthesis of these two instruments may provide an improved diagnosis of the processes occurring in the atmosphere. This study provides a better understanding of the capabilities of the AERI in environments supportive of deep, moist convection. Using 3-hourly radiosonde launches and thermodynamic profiles retrieved from collocated AERIs, this study evaluates the accuracy of AERI-derived profiles over the diurnal cycle by analyzing AERI profiles in both the convective and stable boundary layers. Monte Carlo sampling is used to calculate the distribution of convection indices and compare the impact of measurement errors from each instrument platform on indices. This study indicates that the nonintegrated indices (e.g., lifted index) derived from AERI retrievals are more accurate than integrated indices (e.g., CAPE). While the AERI retrieval’s vertical resolution can inhibit precise diagnoses of capping inversions, the high-temporal-resolution nature of the AERI profiles overall helps in detecting rapid temporal changes in stability.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Chemometrics and Experimental Design for the Quantification of Nitrate Salts in Nitric Acid: Near-Infrared Spectroscopy Absorption Analysis

Implementing remote, real-time spectroscopic monitoring of radiochemical processing streams in hot cell environments requires efficiency and simplicity. The success of optical spectroscopy for the quantification of species in chemical systems highly depends on representative training sets and suitable validation sets. Selecting a training set (i.e., calibration standards) to build multivariate regression models is both time- and resource-consuming using standard one-factor-at-a-time approaches. This study describes the use of experimental design to generate spectral training sets and a validation set for the quantification of sodium nitrate (0–1 M) and nitric acid (0.1–10 M) using the near-infrared water band centered at 1440 nm. Partial least squares regression models were built from training sets generated by both D- and I-optimal experimental designs and a one-factor-at-a-time approach. The prediction performance of each model was evaluated by comparing the bias and standard error of prediction for statistical significance. D- and I-optimal designs reduced the number of samples required to build regression models compared with one-factor-at-a-time while also improving performance. Models must be confirmed against a validation sample set when minimizing the number of samples in the training set. The D-optimal design performed the best when considering both performance and efficiency by improving predictive capability and reducing number of samples in the training set by 64% compared with the one-factor-at-a-time approach. The experimental design approach objectively selects calibration and validation spectral data sets based on statistical criterion to optimize performance and minimize resources.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2019

Final Results for 99 Mo, 111 Ag, 147 Nd, 140 Ba

Seven depleted uranium targets were irradiated at the ACRR reactor in three different irradiations occurring on June 4th, 5th, and 6th, 2019. The targets were received at LANL on July 10, 2019, unpackaged, and analyzed by autoradiography and gamma-ray spectrometry. Table 1 shows a chart of the Target ID, target mass, time the irradiation occurred, and the corresponding LANL sample ID. Six of the targets were dissolved and chemically separated radiochemical analyses were performed for a suite of radionuclides on four of the targets. The final results of the radiochemical separation and analysis of 99 Mo, 111 Ag, 147 Nd and 140 Ba for depleted U samples 4416-01, 4417-01, 4418-01 and 4418-03 are presented in Table 2. Associated errors represent 1σ uncertainty.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗