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DOE OSTI2015

Bi-Sn alloy catalyst for simultaneous morphology and doping control of silicon nanowires in radial junction solar cells

Low-melting point metals such as bismuth (Bi) and tin (Sn) are ideal choices for mediating a low temperature growth of silicon nanowires (SiNWs) for radial junction thin film solar cells. The incorporation of Bi catalyst atoms leads to sufficient n-type doping in the SiNWs core that exempts the use of hazardous dopant gases, while an easy morphology control with pure Bi catalyst has never been demonstrated so far. We here propose a Bi-Sn alloy catalyst strategy to achieve both a beneficial catalyst-doping and an ideal SiNW morphology control. In addition to a potential of further growth temperature reduction, we show that the alloy catalyst can remain quite stable during a vapor-liquid-solid growth, while providing still sufficient n-type catalyst-doping to the SiNWs. Radial junction solar cells constructed over the alloy-catalyzed SiNWs have demonstrated a strongly enhanced photocurrent generation, thanks to optimized nanowire morphology, and largely improved performance compared to the reference samples based on the pure Bi or Sn-catalyzed SiNWs.

14 SOLAR ENERGY↗

DOE OSTI2016

Bright and multicolor luminescent colloidal Si nanocrystals prepared by pulsed laser irradiation in liquid

We reported the preparation of bright and multicolor luminescent colloidal Si nanocrystal (Si-nc) by pulsed UV laser irradiation to porous Si (PSi) in an organic solvent. The different-luminescence-color (different-sized) colloidal Si-nc was produced by the pulsed laser-induced fragmentation of different-sized porous nanostructures. The colloidal Si-nc samples were found to have higher photoluminescence quantum efficiencies (20%–23%) than the PSi samples (1%–3%). The brighter emission of the colloidal Si-nc was attributed to an enhanced radiative band-to-band transition rate due to the presence of a surface organic layer formed by UV laser-induced hydrosilylation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Adaptive Reweighted Variance Estimation for Monte Carlo Eigenvalue Simulations

Monte Carlo (MC) simulation is used to solve the eigenvalue form of the Boltzmann transport equation to estimate various parameters such as fuel pin flux distributions that are crucial for the safe and efficient operation of nuclear systems (e.g., a nuclear reactor). Monte Carlo eigenvalue simulation uses a sample mean over many stationary cycles (iterations) to estimate various parameters important to nuclear systems. A variance estimate of the sample mean is often used for calculating the confidence intervals. However, MC eigenvalue simulation variance estimators that ignore the intercycle correlation underestimate the true variance of the estimated quantity. This paper presents novel data-adaptive approaches based on a simple autoregressive (AR) model and sigmoid functions to improve MC variance estimation. The standard MC sample-based variance estimator (or naïve estimator) and the spectral density–based MC variance estimator are enhanced by adding data-adaptive components that reduce their bias and improve performance. By investigating the frequency pattern of the AR(1) (order 1) model, two adaptive spectral estimators and one adaptive naïve estimator are proposed. The proposed estimators manifest superior performance when applied to three test problems compared to the standard spectral density–based estimator previously introduced by the authors. In conclusion, these new estimators are straightforward, as they use online algorithms and do not require storage of tallies from all active cycles.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2014

Rotational and radial velocities of 1.3-2.2 M {sub ☉} red giants in open clusters

This study presents the rotational distribution of red giant (RG) stars in 11 old to intermediate age open clusters. The masses of these stars are all above the Kraft break, so they lose negligible amounts of their birth angular momentum (AM) during the main-sequence (MS) evolution. However, they do span a mass range with quite different AM distributions imparted during formation, with the stars less massive than ∼1.6M {sub ☉} arriving on the MS with lower rotation rates than the more massive stars. The majority of RGs in this study are slow rotators across the entire red giant branch regardless of mass, supporting the picture that intermediate-mass stars rapidly spin down when they evolve off the MS and develop convection zones capable of driving a magnetic dynamo. Nevertheless, a small fraction of RGs in open clusters show some level of enhanced rotation, and faster rotators are as common in these clusters as in the field RG population. Most of these enhanced rotators appear to be red clump stars, which is also true of the underlying stellar sample, while others are clearly RGs that are above or below the clump. In addition to rotational velocities, the radial velocities (RVs) and membership probabilities of individual stars are also presented. Cluster heliocentric RVs for NGC 6005 and Pismis 18 are reported for the first time.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2012

INTERACTIONS BETWEEN MODERATE- AND LONG-PERIOD GIANT PLANETS: SCATTERING EXPERIMENTS FOR SYSTEMS IN ISOLATION AND WITH STELLAR FLYBYS

The chance that a planetary system will interact with another member of its host star's nascent cluster would be greatly increased if gas giant planets form in situ on wide orbits. In this paper, we explore the outcomes of planet-planet scattering for a distribution of multi-planet systems that all have one of the planets on an initial orbit of 100 AU. The scattering experiments are run with and without stellar flybys. We convolve the outcomes with distributions for protoplanetary disk and stellar cluster sizes to generalize the results where possible. We find that the frequencies of large mutual inclinations and high eccentricities are sensitive to the number of planets in a system, but not strongly to stellar flybys. However, flybys do play a role in changing the low and moderate portions of the mutual inclination distributions, and erase dynamically cold initial conditions on average. Wide-orbit planets can be mixed throughout the planetary system, and in some cases, can potentially become hot Jupiters, which we demonstrate using scattering experiments that include a tidal damping model. If planets form in situ on wide orbits, then there will be discernible differences in the proper-motion distributions of a sample of wide-orbit planets compared with a pure scattering formation mechanism. Stellar flybys can enhance the frequency of ejections in planetary systems, but autoionization is likely to remain the dominant source of free-floating planets.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Changing ionization conditions in SDSS galaxies with active galactic nuclei as a function of environment from pairs to clusters

We study how active galactic nucleus (AGN) activity changes across environments from galaxy pairs to clusters using 143,843 galaxies with z < 0.2 from the Sloan Digital Sky Survey. Using a refined technique, we apply a continuous measure of AGN activity, characteristic of the ionization state of the narrow-line emitting gas. Changes in key emission-line ratios ([N II] λ6548/Hα, [O III] λ5007/Hβ) between different samples allow us to disentangle different environmental effects while removing contamination. We confirm that galaxy interactions enhance AGN activity. However, conditions in the central regions of clusters are inhospitable for AGN activity even if galaxies are in pairs. These results can be explained through models of gas dynamics in which pair interactions stimulate the transfer of gas to the nucleus and clusters suppress gas availability for accretion onto the central black hole.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

A Consensus Equilibrium Approach for 3-D Land Seismic Shots Recovery

Physical and budget constraints often result in inadequate sampling for accurate subsurface imaging. Preprocessing approaches, such as missing trace interpolation, are typically employed to enhance seismic data in such cases. The compressed sensing (CS) framework has been applied for modeling missing seismic data, which is estimated by sparsity-based computational algorithms. While existing work mainly focuses on recovering missing traces resulting from receiver subsampling, source subsampling has greater economical advantages, as sources are more expensive than receivers. Moreover, stronger image models different from sparsity have not been explored for source recovery. This work presents a consensus equilibrium (CE) approach to recover missing seismic shots, which enables to incorporate various regularization operators modeling different data priors. Here, simulation results from a real 3-D land seismic dataset demonstrate that the CE approach provides more accurate estimations of the linear and hyperbolic events in the recovered shots, compared with pure sparsity-based reconstructions.

58 GEOSCIENCES↗

DOE OSTI2021

Event Cause Analysis in Distribution Networks using Synchro Waveform Measurements

This paper presents a machine learning method for event cause analysis to enhance situational awareness in distribution networks. The data streams are captured using time-synchronized high sampling rates synchro waveform measurement units (SWMU). The proposed method is formulated based on a machine learning method, the convolutional neural network (CNN). This method is capable of capturing the spatiotemporal feature of the measurements effectively and perform the event cause analysis. Several events are considered in this paper to encompass a range of possible events in real distribution networks, including capacitor bank switching, transformer energization, fault, and high impedance fault (HIF). The dataset for our study is generated using the real time digital simulator (RTDS) to simulate real-world events. The event cause analysis is performed using only one cycle of the voltage waveforms after the event is detected. The simulation results show the effectiveness of the proposed machine learning-based method compared to the state-of-the-art classifiers.

Niazazari, Iman↗

DOE OSTI2025

Advancing Reel-to-Reel Inspection Techniques for Long HTS Conductors: Comparison and Innovations

The continuous advancement of high-temperature superconductor (HTS) technologies has greatly accelerated the development and deployment of HTS applications. Among the critical tools supporting these advancements are reel-to-reel (R2R) critical current (I c ) measurement techniques, which are extensively used by both manufacturers and end users to characterize long-length REBCO conductors. These techniques play a vital role in quality assurance and quality control (QA/QC), ensuring the reliability and performance of HTS conductors and applications throughout the production cycle. We have developed a range of in-house devices for R2R measurements at the University of Houston and Princeton Plasma Physics Laboratory. These include one-dimensional (1D) scan using a magnetic circuit (MC) and two-dimensional (2D) magnetic field mapping systems based on scanning probe array microscope (SPAM) or scanning probe microscopy (SPM). Each technique offers distinct advantages: the MC system provides ultra-fast scanning speeds, ideal for rapid inspection in large-scale industrial production; the high-resolution SPM delivers detailed insights for conductor research and development; and the SPAM, with its simpler mechanical setup, can be upgraded for higher field and lower temperature conditions with a balanced 2D resolution. Here we compared the magnetization and detection capabilities of these techniques through experiments on rare-earth barium copper oxide (REBCO) coated conductor samples, with data analysis supported by numerical simulations. Based on our comprehensive comparative studies, we propose enhancements for each measurement system and provide guidelines for selecting the optimal technique combinations to meet specific application requirements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Study of a linear surface wave plasma source for tin removal in an extreme ultraviolet source

Tin deposition mitigation employs hydrogen radicals and ions, formed in a hydrogen plasma, to interact with tin to form tin hydride (SnH 4 ) in the gaseous state, which is then pumped away. Surface wave plasma (SWP) technology developed at Illinois generates hydrogen radicals and ions, resulting in tin etch rates that are high enough to keep extreme ultraviolet (EUV) lithographic tools clean. An advantage of an SWP antenna is the ability to generate a high density of hydrogen radicals and hydrogen ions directly at the desired etching location. In situ etching of tin enables high availability EUV tools by maintaining high reflectivity of the multilayer mirror of the collector. Additionally, the SWP is characterized with low ion energies and low electron temperature, such that the multilayer mirror does not suffer any damage from sputtering or implantation of hydrogen ions during operation. Here, experiments elucidating the fundamental processes of tin removal are conducted by varying pressure, power, surface temperature, and gas flow rate in order to observe the etch rate behavior. Our results have shown that the presence of hydrogen ions increases etch rates because ion bombardment weakens Sn–Sn bonds, which, in turn, allows for a higher rate of chemical etching by the radicals. The ion bombardment reduces the number of radicals needed to etch a single tin atom to the range of 10 2 –10 3 . The linear SWP antenna yields plasma densities on the order of 10 17 to 10 18 m -3 and radical densities on the order of 10 18 to 10 19 m -3 , allowing for greater utilization of ion etch enhancement. Etch rates of up to 200 nm/min have been achieved. The surface temperature of the samples is an important factor in the etching process such that the decrease in the surface temperature increases the etch rates and decreases the hydrogen desorption rates. In addition, a kinetic etch model is developed to explain the behavior of etch rates as a function of surface temperature. Furthermore, results from experiments performed in an Illinois NXE:3100 chamber will be discussed.

42 ENGINEERING↗

DOE OSTI2023

Elucidating regulatory processes of intense physical activity by multi-omics analysis

Abstract Background Physiological and biochemical processes across tissues of the body are regulated in response to the high demands of intense physical activity in several occupations, such as firefighting, law enforcement, military, and sports. A better understanding of such processes can ultimately help improve human performance and prevent illnesses in the work environment. Methods To study regulatory processes in intense physical activity simulating real-life conditions, we performed a multi-omics analysis of three biofluids (blood plasma, urine, and saliva) collected from 11 wildland firefighters before and after a 45 min, intense exercise regimen. Omics profiles post- versus pre-exercise were compared by Student’s t -test followed by pathway analysis and comparison between the different omics modalities. Results Our multi-omics analysis identified and quantified 3835 proteins, 730 lipids and 182 metabolites combining the 3 different types of samples. The blood plasma analysis revealed signatures of tissue damage and acute repair response accompanied by enhanced carbon metabolism to meet energy demands. The urine analysis showed a strong, concomitant regulation of 6 out of 8 identified proteins from the renin-angiotensin system supporting increased excretion of catabolites, reabsorption of nutrients and maintenance of fluid balance. In saliva, we observed a decrease in 3 pro-inflammatory cytokines and an increase in 8 antimicrobial peptides. A systematic literature review identified 6 papers that support an altered susceptibility to respiratory infection. Conclusion This study shows simultaneous regulatory signatures in biofluids indicative of homeostatic maintenance during intense physical activity with possible effects on increased infection susceptibility, suggesting that caution against respiratory diseases could benefit workers on highly physical demanding jobs.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Managing Sn-Supply to Tune Surface Characteristics of Vapor-Diffusion Coating of Nb₃Sn

Nb₃Sn promises better RF performance (Q and E_{acc}) than niobium at any given temperature because of superior superconducting properties. Nb₃Sn-coated SRF cavities are now produced routinely by growing a few microns thick Nb₃Sn films inside Nb cavities via the tin vapor diffusion technique. Sn evaporation and consumption during the growth process notably affect the quality of the coating. Aiming at favorable surface characteristics that could enhance the RF performance, many coatings were produced by varying Sn sources and temperature profiles. Coupon samples were examined using different material characterization techniques, and a selected few sets of coating parameters were used to coat 1.3 GHz single-cell cavities for RF testing. The Sn supply’s careful tuning is essential to manage the microstructure, roughness, and overall surface characteristics of the coating. We summarize the material analysis of witness samples and discuss the performance of several Nb₃Sn-coated single-cell cavities linked to Sn-source characteristics and observed Sn consumption during the film growth process.

Pudasaini, U.↗

DOE OSTI2012

Reuse of Produced Water from CO 2 Enhanced Oil Recovery, Coal-Bed Methane, and Mine Pool Water by Coal-Based Power Plants

Power generation in the Illinois Basin is expected to increase by as much as 30% by the year 2030, and this would increase the cooling water consumption in the region by approximately 40%. This project investigated the potential use of produced water from CO 2 enhanced oil recovery (CO 2 -EOR) operations; coal-bed methane (CBM) recovery; and active and abandoned underground coal mines for power plant cooling in the Illinois Basin. Specific objectives of this project were: (1) to characterize the quantity, quality, and geographic distribution of produced water in the Illinois Basin; (2) to evaluate treatment options so that produced water may be used beneficially at power plants; and (3) to perform a techno-economic analysis of the treatment and transportation of produced water to thermoelectric power plants in the Illinois Basin. Current produced water availability within the basin is not large, but potential flow rates up to 257 million liters per day (68 million gallons per day (MGD)) are possible if CO 2 -enhanced oil recovery and coal bed methane recovery are implemented on a large scale. Produced water samples taken during the project tend to have dissolved solids concentrations between 10 and 100 g/L, and water from coal beds tends to have lower TDS values than water from oil fields. Current pretreatment and desalination technologies including filtration, adsorption, reverse osmosis (RO), and distillation can be used to treat produced water to a high quality level, with estimated costs ranging from $2.6 to $10.5 per cubic meter ($10 to $40 per 1000 gallons). Because of the distances between produced water sources and power plants, transportation costs tend to be greater than treatment costs. An optimization algorithm was developed to determine the lowest cost pipe network connecting sources and sinks. Total water costs increased with flow rate up to 26 million liters per day (7 MGD), and the range was from $4 to $16 per cubic meter ($15 to $60 per 1000 gallons), with treatment costs accounting for 13-23% of the overall cost. Results from this project suggest that produced water is a potential large source of cooling water, but treatment and transportation costs for this water are large.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2019

Fracture Toughness Properties of Tritium Charged and Aged Stainless Steels: SRNL and SNL Collaboration Test Plan and 2018 Results

Forged stainless steels are used as the materials of construction for tritium reservoirs. During service, tritium diffuses into the reservoir walls and radioactively decays to helium-3. Tritium and decay helium cause a higher propensity for cracking which could lead to a tritium leak or failure of a tritium reservoir. Fracture toughness properties are needed for designing tritium reservoirs and evaluating the long-term effects of tritium on their structural properties. A key result of prior studies is that the long-term cracking resistance of stainless steels in tritium service depends greatly on the interaction between decay helium and the steels’ forged microstructure. Designers and modelers at Sandia National Laboratories (SNL) have identified key gaps in the data available on material performance in tritium. Thus, a collaborative plan and schedule of tests have been developed with SRNL and SNL to fill these gaps using a range of tensile test and fracture mechanics test geometries, at stockpile relevant temperatures. These studies target the fundamental deformation mechanisms and the influence of tritium-decay-helium on their behavior. This report outlines the goals of each program and describes the sample test matrices and experimental conditions. This report fulfills the requirements for a portion of the Enhanced Surveillance Campaign (ESC) FY19 Level 2 milestone 6725 to deliver an annual report on the aging studies of reservoir materials.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Composition Measurements of the LAW Phase 5 Glasses

This report provides the results from the chemical analyses of glass compositions for the Low-Activity Waste Phase 5 study glasses, a series of simulated nuclear waste glasses fabricated at Pacific Northwest National Laboratory. These data will be used in the development of enhanced property/composition models for waste glass vitrification at Hanford. Chemical analyses were performed on a representative sample of each of the quenched glasses to allow for comparisons with targeted compositions. The relative differences between the targeted and measured concentrations of CaO, Cl - , K 2 O, Li 2 O, and SO 3 for some of the glasses were greater than 10%. Several of these glass samples were rerun to verify original measurements; however, there were no significant changes in the measurements to indicate errors in preparation or analysis of the samples. These results can be used in further characterization of this series of glasses, including the normalization of Product Consistency Test results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Composition Measurements of the LAW ALG Glasses

This report provides the results from the chemical analyses of glass compositions for the Low-Activity Waste Algorithm study glasses, a series of simulated nuclear waste glasses designed and fabricated at Pacific Northwest National Laboratory. These data will be used in the development, validation, and implementation of enhanced property/composition models for waste glass vitrification at Hanford. Chemical analyses were performed on a representative sample of each of the quenched glasses to allow for comparisons with targeted compositions. The relative differences between the targeted and measured concentrations of SO 3 for most of the glasses were greater than 10%. The relative differences between the targeted and measured concentration of F- was greater than 10% for one glass. The relative differences between the targeted and measured concentration of SnO 2 was greater than 10% for one glass. These results can be used in further characterization of this series of glasses, including the normalization of Product Consistency Test results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Composition Measurements of the Environmental Management Headquarters (EMHQ) Low-Activity Waste (LAW) Glasses

This report provides the results from the chemical analyses of glass compositions for the Environmental Management Headquarters Low-Activity Waste study glasses, a series of simulated nuclear waste glasses fabricated at Pacific Northwest National Laboratory. These data will be used in the development, validation, and implementation of enhanced property/composition models for waste glass vitrification at Hanford. Chemical analyses were performed on a representative sample of each of the quenched glasses to allow for comparisons with targeted compositions. The relative differences between the targeted and measured concentrations of Na 2 O, Li 2 O, and SO 3 for several of the glasses and B 2 O 3 in one of the glasses were greater than 10%. These results can be used in further characterization of this series of glasses, including the normalization of Product Consistency Test results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Characterization of the Sulfur-Saturated Melt Versions of the EMHQ LAW Glasses

This report provides the results from the chemical analyses of a series of sulfur-saturated melt versions of the EMHQ Low-Activity Waste study glasses, a series of simulated nuclear waste glasses designed and fabricated at Pacific Northwest National Laboratory. These data will be used in the development, validation, and implementation of enhanced property/composition models for waste glass vitrification at Hanford. Chemical analyses were performed on a representative sample of each of the sulfur-saturated melt versions of the glasses to allow for comparisons with targeted compositions, as well as the measured compositions of the quenched glasses. The relative differences between the targeted and measured concentrations of B 2 O 3 , Na 2 O, and SO 3 for several of the glasses and V 2 O 5 and ZrO 2 in two individual glasses were greater than ±10%. The wash solutions contained mainly sodium and sulfur.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗