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At least 667 records · Page 37

SULI Final Report

This project looks at alternative water sources, specifically in the field of desalination and selective ion removal through capacitive deionization (CDI). It project aims to both scale up the desalination capabilities of CDI cells as well as determine the selectivity of CDI for particular ions. My task is to design and build cells that have reproducible performance and characterize the materials for building these cells. The scientific methods I’ve learned through my work in CDI and the data mining and analysis tools I’ve become familiar with through CAES will be important catalysts in my future success in a graduate program. The purpose of this presentation is to give a standard of practice for my current method of building of capacitive deionization cells. Parts 1 and 2 will be discussed in which the electrodes are prepared, and the cell is built.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Workflow for Developing and Operating Subsurface Hydrogen Storage Facilities in Porous Reservoirs

Long-duration (seasonal) storage of natural gas (NG), which primarily consists of methane (CH 4 ), has been practiced for more than a hundred years at underground gas storage (UGS) facilities that use depleted hydrocarbon reservoirs, saline aquifers, and salt caverns. To enable hydrogen (H 2 ) to be used as a long-duration, energy-storage medium, similar facilities are envisioned for underground H 2 storage (UHS) of either H 2 or H 2 /NG mixtures. Experience with UGS can be used to guide recommended practices for developing and operating UHS facilities in porous reservoirs. The most important factors (formation/fluid properties and engineering choices) that influence the performance of UHS reservoirs have been identified and quantified in previous studies. These factors and choices influence phenomena that determine the sweep efficiency of the stored working gas. These phenomena include viscous fingering, hysteretic capillary trapping, and gravity override of the working gas, as well as the upconing of nonproductive fluid that determine the sweep efficiency of the stored working gas. This report describes initial recommended-practices and a project-development workflow for UHS facilities that utilize porous reservoirs, based on the current state-of-knowledge about H 2 behavior in the subsurface. The workflow sequentially addresses all aspects of UHS project development, including the identification of H 2 sources and users, site ranking and down-selection, geologic and reservoir-engineering characterization, reservoir design, testing, risk management, commissioning, operations, and monitoring for a UHS facility. The goal is to enable UHS facilities to be developed in an efficient and timely manner, while carefully managing project risks. This workflow is similar to that which has been developed for UGS facilities (see Figure 1 of API, 2022), with the addition of tasks and subtasks specific to H 2 and UHS. The project-development workflow is broken down into three major stages: (1) define the H 2 use case; (2) rank, down-select, and characterize potential, candidate UHS sites; and (3) reservoir design, integrity testing, risk assessment, commissioning, operations, and monitoring for selected UHS sites. Each major stage is further broken down into tasks and subtasks, which are described at a high level. This report also provides more detailed descriptions of all tasks and subtasks that involve reservoir analysis and testing.

08 HYDROGEN↗

Development of Crown Ether-Functionalized Polymeric Sorbents for Lithium-Ion Capture

The purpose of this Cooperative Research and Development Agreement (CRADA) was to develop and demonstrate new synthetic strategies for fabricating lithium-selective polymeric adsorbents by covalently incorporating crown ether functionalities into durable, processable support materials. These advanced sorbents are designed to selectively extract lithium ions (Li⁺) from dilute aqueous sources such as brine, seawater, industrial wastewater, and battery recycling streams.

36 MATERIALS SCIENCE↗

ALMA Reveals Strong [C II] Emission in a Galaxy Embedded in a Giant Lyα Blob at z = 3.1

We report the result from observations conducted with the Atacama Large Millimeter/submillimeter Array (ALMA) to detect [C ii] 158 μm fine structure line emission from galaxies embedded in one of the most spectacular Lyα blobs (LABs) at z = 3.1, SSA22-LAB1. Of three dusty star-forming galaxies previously discovered by ALMA 860 μm dust continuum survey toward SSA22-LAB1, we detected the [C ii] line from one, LAB1-ALMA3 at z = 3.0993 ± 0.0004. No line emission was detected, associated with the other ALMA continuum sources or from three rest-frame UV/optical selected z{sub spec} ≃ 3.1 galaxies within the field of view. For LAB1-ALMA3, we find relatively bright [C ii] emission compared to the infrared luminosity (L{sub [C ii]}/L{sub IR} ≈ 0.01) and an extremely high [C ii] 158 μm and [N ii] 205 μm emission line ratio (L{sub [C ii]}/L{sub [N ii]} > 55). The relatively strong [C ii] emission may be caused by abundant photodissociation regions and sub-solar metallicity, or by shock heating. The origin of the unusually strong [C ii] emission could be causally related to the location within the giant LAB, although the relationship between extended Lyα emission and interstellar medium conditions of associated galaxies is yet to be understand.

79 ASTRONOMY AND ASTROPHYSICS↗

Ambient monitoring to inform the protection of beneficial uses and achieve water quality goals in Sinclair and Dyes Inlets, Puget Sound, WA

Currently discharge limits enforced under the Clean Water Act are focused on meeting water quality standards at the end of the pipe and environmental performance is measured based on meeting the discharge limits; but meeting discharge limits has very little to do with achieving water quality goals for coastal and estuarine ecosystems. Therefore, an effective monitoring and assessment program is needed to assess continuous process improvement, evaluate the ecological conditions, and provide metrics that can inform effective management of coastal and estuarine water quality. As part of an integrated Environmental Investment (ENVVEST) project for Sinclair and Dyes Inlets (ENVVEST 2006; Johnston et al. 2009) a network of monitoring stations was established to characterize environmental conditions, assess potential impacts, and establish environmental quality trends within the Inlets. Water, sediment, and biota monitoring locations were selected that were co-located near suspected sources (industrial, waste water, and stormwater outfalls; marinas, stream mouths, and other sources) or were representative of ambient marine and nearshore conditions. Water column stations and effluents from industrial outfalls were sampled seasonally for trace metals (Cd, Cr, Cu, Hg, Pb, and Zn) using analytical procedures appropriate for seawater (Strivens, Brandenberger and Johnston, 2018), conventional parameters (salinity, dissolved and total organic carbon, total and suspended solids, dissolved O2, pH, turbidity, NO2+NO3, NH4, N, and P), and toxicity. Effluent and water column toxicity tests included mysid shrimp (Americamysis bahia) 96 hr survival, sand dollar (Dendraster excentricus) or purple sea urchin (Strongylocentrotus purpuratus) 96 hr embryo development, QwikLite – dinoflagellate (Pyrocystis lunula) 24 hr bioluminescence response, mussel larvae (Mytilus sp.) 48 hr larvae survival and development, and kelp (Macrocystis pyrifera) 48 hr growth and germination. Additionally, indigenous mussels (Mytilis spp.) were sampled biennially for contaminant residues of metals, polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs), lipid content, and stable isotopes of C and N. The mussel data were compared to benchmarks of ecological effects (Johnston et al. 2007, Applied Biomonitoring 2009), samples obtained from a local seafood market harvested from Penn Cove on Whidbey Island (PKPLPC), and data from the national mussel watch status and trends monitoring program (Kimbrough et al. 2008). Results from 2009-2016 showed that dissolved metals nearly always met water quality standards and that water quality in Navy nearshore areas appeared to improve after best management practices (BMPs) for industrial process improvements (US Navy 2012) were completed in Sept. 2013 (Figure 1). In general, toxicity from exposure to whole effluent samples was not observed and ambient water samples were not toxic to test organisms, except that ambient toxicity was only observed during the presence of algal blooms which showed that toxicity was highly correlated with the abundance of the toxic algae Gymnodinium splendens (Rosen et al. 2009). Overall, mussel tissue residues were below benchmarks at most locations (Figure 2), however there were locations that had elevated levels of PAHs, PCBs, Hg, and Cu. Results from the monitoring provide metrics that are being used to assess progress toward meeting environmental quality goals for the watershed.

ENVVEST, PSEMP↗

System and method for in situ volumetric sensing of 3D cure state of resin being used in an additive manufacturing system

An in situ cure monitoring control system for use with a volumetric three dimensional (3D) printing system, wherein the volumetric 3D system includes a container defining a build volume, the container includes a photocurable resist used for making a 3D part, and the resist is responsive to an optical curing beam from a light source, which is controlled by a controller, and which is passed through the resist. The cure monitoring control system includes an optical signal source which generates optical signals having a wavelength selected in relation to a characteristic of the resist, and directed to pass through the build volume. A detector detects the optical signals and generates output signals in accordance therewith. Software monitors the output signals and uses the output signals to modify the curing beam to help optimize curing of the resist.

Panas, Robert Matthew↗

ILLICIT TRANSIT INTERDICTION GLOBAL ANALYSIS

This study aims to enhance the security of radioactive materials during transport by analyzing commonalities in cargo thefts conducted by non-state groups such as thieves and terrorists. This research focuses on identifying patterns and trends in the methods used to steal high-value cargo, with the goal of applying these insights to improve transport security of radioactive materials. Key questions addressed include the frequency of specific tools, techniques, and insider involvement in thefts, as well as the use of weapons, electronic jamming equipment, and specialized tools. Findings will inform security design improvements and industry practices to mitigate vulnerabilities. The study involves a comprehensive review of literature and case studies, utilizing data sources from 2018 to 2023. Articles will be selected based on their relevance to thefts of valuable cargo in transit, with a focus on incidents involving non-state actors. The methodology will include statistical and inferential analysis to identify trends, with results visualized through pie charts, frequency analyses, and terrain maps. The discussion will highlight the implications of findings and provide actionable recommendations for strengthening security measures. Limitations such as data availability and reporting inconsistencies will be acknowledged. Suggestions for future improvements will be constructed using existing case studies and expert feedback. The study’s outcomes aim to raise awareness within the industry, inform policy decisions, and enhance security protocols for radioactive material transport. Metrics for impact include the potential publication of findings, presentations at conferences to raise awareness, and the subsequent actions taken by stakeholders based on the research. By identifying trends and vulnerabilities and suggesting improvements, this research contributes to preventing the illicit use of nuclear and radiological materials.

Zineddin, Dr. Z. [ORNL] (ORCID:0009000848740725)↗

Modular Soft X-Ray Emission Spectrograph

We have been developing the Hettrick-Underwood type soft x-ray spectrograph for over a decade. This optical design uses one spherical mirror for focusing x-rays onto the CCD detector and a set of variable line-spacing gratings for energy analysis. Unlike the previous effort carried out at the ALS, what we have achieved in the current design is to incorporate the concept of modularity. The model of spectrograph is shown below. It contains three major components: the optics chamber and downstream section (detector plus driving mechanism using a swing arm pivoted at the grating location, see figure) for inside and outside order (translation stage without swing arm, not shown here). Inside order design is often used when source size is larger than the detector pixel resolution, while the outside order is used when source size is smaller than the detector pixel resolution. Irrespective to which order is selected, there is no change in the mechanism of optics chamber. The location of optics chamber relative to the source and detector can also be changed to optimize the energy resolution at target photon energy. The incident angles on mirror and gratings can be varied, in conjunction with the grating line densities, to balance the resolution and throughput. The internal components of optics chamber are also modular and changing the dimension of optics can be done by using different holders. The modularity not only greatly reduces the design and assembling effort, but also offers the cost benefit. Although the cost of this type of spectrograph is expected to be higher than XES350, it is still significant lower than the one-of-the-kind design used at every synchrotron facilities. The unique flexibility and modularity not only allows the users to tailor the design of spectrograph for the characteristic of their sources, but also to have cost down in standardizing the fabrication parts.

Hussain, Zahid↗

Kinetic Monte Carlo Simulations of Chemical Reactions on Surfaces

Lattice based kinetic Monte Carlo (kMC) simulations are a powerful tool for micro-kinetic modeling. The kinetic Monte Carlo technique stochastically simulates chemical reaction processes (e.g. adsorption, desorption, diffusion), where the probability of a given reaction process being selected is weighted by its rate constant. The open source software package, KMOS1, allows fast construction of kMC simulations by automatically implementing a computationally efficient kMC framework, thus allowing the researcher to focus on accurate parameterization and formulation of the kinetic model. From this, the spatiotemporal evolution (e.g. concentration, surface configuration, turnover frequencies) of crystal surfaces or bulk crystalline structures is obtained. KMOS uses the variable step-size method implementation of kMC. At each step, the VSSM updates available events, calculates the corresponding transition rates and simulation time, and selects one of the available events. The lattice based kMC technique has many potential applications within SRNL where chemical kinetics are of interest. By transitioning through time along a trajectory of configuration space, fundamental insights to a system's dominant reactions and parameters can be gained, leading to improved materials and process design. In this work, we have established capabilities for fast implementation of kMC simulations through the installation and testing of the KMOS software on SRNL high performance computing resources. The parameterization of kMC simulations is often performed from first-principles energetic calculations. For the purposes of this work, the test cases use arbitrary species and thus, have arbitrary parameterization. In order to demonstrate the use of KMOS, two primary test cases are shown. Case 1 involves simple adsorption and desorption. Case 2 involves a slightly more complex mechanism. The evolution of the surface concentration and the final surface configuration for simulation Case 2 is shown. Rate-limiting processes and rate-limiting configurations are not always known or understood, but kMC provides information pertaining to both. The capability to implement efficient micro-kinetic models using the kinetic Monte Carlo technique has been established through the testing and installation of KMOS on SRNL HPC resources.

97 MATHEMATICS AND COMPUTING↗

Broadband polarization-entangled source for C+L-band flex-grid quantum networks

The rising demand for transmission capacity in optical networks has motivated steady interest in expansion beyond the standard C-band (1530–1565 nm) into the adjacent L-band (1565–1625 nm) for an approximate doubling of capacity in a single stroke. However, in the context of quantum networking, the L-band has yet to be fully leveraged with the suite of advanced tools for characterization and management available from classical lightwave communications. In this work, we demonstrate an ultrabroadband two-photon source integrating both C- and L-band wavelength-selective switches for complete control of spectral routing and allocation across 7.5 THz in a single setup. Polarization state tomography of all 150 pairs of 25-GHz-wide channels reveals an average fidelity of 0.98 and total distillable entanglement greater than 181 kebits/s. This source is explicitly designed for flex-grid optical networks and can facilitate optimal utilization of entanglement resources across the full C+L-band.

42 ENGINEERING↗

Toward laser ablation Accelerator Mass Spectrometry of actinides

A project to measure neutron capture cross sections of a number of actinides in a reactor environment by Accelerator Mass Spectrometry (AMS) at the ATLAS facility of Argonne National Laboratory is underway. This project will require the precise and accurate measurement of produced actinide isotopes in many (>30) samples irradiated in the Advanced Test Reactor at Idaho National Laboratory with neutron fluxes having different energy distributions. The AMS technique at ATLAS is based on production of highlycharged positive ions in an electron cyclotron resonance (ECR) ion source followed by acceleration in the ATLAS linac and mass-to-charge (m/q) measurement at the focus of the Fragment Mass Analyzer. Laser ablation was selected as the method of feeding the actinide material into the ion source because we expect it will have higher efficiency and lower chamber contamination than either the oven or sputtering techniques, because of a much narrower angular distribution of emitted material. In addition, a new multi-sample holder/changer to allow quick change between samples and a computer-controlled routine allowing fast tuning of the accelerator for different beams, are being developed. An initial test run studying backgrounds, detector response, and accelerator scaling repeatability was conducted in December 2010. The project design, schedule, and results of the initial test run to study backgrounds are discussed.

99 GENERAL AND MISCELLANEOUS↗

Searching for Compact Radio Sources Associated with UCH ii Regions

Ultra-compact (UC)H ii regions represent a very early stage of massive star formation. The structure and evolution of these regions are not yet fully understood. Interferometric observations showed in recent years that compact sources of uncertain nature are associated with some UCH ii regions. To examine this, we carried out VLA 1.3 cm observations in the A configuration of selected UCH ii regions in order to report additional cases of compact sources embedded in UCH ii regions. With these observations, we find 13 compact sources that are associated with 9 UCH ii regions. Although we cannot establish an unambiguous nature for the newly detected sources, we assess some of their observational properties. According to the results, we can distinguish between two types of compact sources. One type corresponds to sources that are probably deeply embedded in the dense ionized gas of the UCH ii region. These sources are photoevaporated by the exciting star of the region and will last for 10{sup 4}–10{sup 5} years. They may play a crucial role in the evolution of the UCH ii region as the photoevaporated material could replenish the expanding plasma and might provide a solution to the so-called lifetime problem of these regions. The second type of compact sources is not associated with the densest ionized gas of the region. A few of these sources appear resolved and may be photoevaporating objects such as those of the first type, but with significantly lower mass depletion rates. The remaining sources of this second type appear unresolved, and their properties are varied. We speculate on the similarity between the sources of the second type and those of the Orion population of radio sources.

79 ASTRONOMY AND ASTROPHYSICS↗

Fabrication and Modeling of High-Efficiency Front Junction N-Type Silicon Solar Cells With Tunnel Oxide Passivating Back Contact

This paper reports on in-depth understanding, modeling, and fabrication of 23.8% efficient 4 cm 2 n-type Float Zone (FZ) silicon cells with a selective boron emitter and photolithography contact on front and tunnel oxide passivating contact on the back. Tunnel oxide passivating contact composed of a very thin chemically grown silicon oxide (~15 Å) capped with plasma-enhanced chemical vapor deposition (PECVD) grown 20 nm n + poly Si gave excellent surface passivation and carrier selectivity with very low saturation current density (~5 fA/cm 2 ). A high-quality boron selective emitter was formed using ion implantation and solid source diffusion to minimize metal recombination and emitter saturation current density. Process optimization resulted in a cell V oc of 712 mV, J sc of 41.2 mA/cm 2 , and FF of 0.811. Here, a simple methodology is used to model these cells which replaces tunnel oxide passivating contact region by electron and hole recombination velocities extracted from measured saturation current density of tunnel oxide passivating contact region and analysis. Using this approach and two-dimensional device modeling gave an excellent match between the measured and simulated cell parameters and efficiency, supporting excellent passivation and carrier selectivity of these contacts. Extended simulations showed that 26% cell efficiency can be achieved with this cell structure by further optimization of wafer quality, emitter profile, and contact design

14 SOLAR ENERGY↗

An open-source framework for balancing computational speed and fidelity in production cost models

Studies of bulk power system operations need to incorporate uncertainty and sensitivity analyses, especially around exposure to weather and climate variability and extremes, but this remains a computational modeling challenge. Commercial production cost models (PCMs) have shorter runtimes, but also important limitations (opacity, license restrictions) that do not fully support stochastic simulation. Open-source PCMs represent a potential solution. They allow for multiple, simultaneous runs in high-performance computing environments and offer flexibility in model parameterization. Yet, developers must balance computational speed (i.e. runtime) with model fidelity (i.e. accuracy). In this paper, we present Grid Operations (GO), a framework for instantiating open-source, scale-adaptive PCMs. GO allows users to search across parameter spaces to identify model versions that appropriately balance computational speed and fidelity based on experimental needs and resource limits. Results provide generalizable insights on how to navigate the fidelity and computational speed tradeoff through parameter selection. We show that models with coarser network topologies can accurately mimic market operations, sometimes better than higher-resolution models. It is thus possible to conduct large simulation experiments that characterize operational risks related to climate and weather extremes while maintaining sufficient model accuracy.

42 ENGINEERING↗

Optimizing cone beam CT scatter estimation in egs-cbct for a clinical and virtual chest phantom

Purpose: Cone beam computed tomography (CBCT) image quality suffers from contamination from scattered photons in the projection images. Monte Carlo simulations are a powerful tool to investigate the properties of scattered photons.egs-cbct, a recent EGSnrc user code, provides the ability of performing fast scatter calculations in CBCT projection images. This paper investigates how optimization of user inputs can provide the most efficient scatter calculations. Methods: Two simulation geometries with two different x-ray sources were simulated, while the user input parameters for the efficiency improving techniques (EITs) implemented inegs-cbct were varied. Simulation efficiencies were compared to analog simulations performed without using any EITs. Resulting scatter distributions were confirmed unbiased against the analog simulations. Results: The optimal EIT parameter selection depends on the simulation geometry and x-ray source. Forced detection improved the scatter calculation efficiency by 80%. Delta transport improved calculation efficiency by a further 34%, while particle splitting combined with Russian roulette improved the efficiency by a factor of 45 or more. Combining these variance reduction techniques with a built-in denoising algorithm, efficiency improvements of 4 orders of magnitude were achieved. Conclusions: Using the built-in EITs inegs-cbct can improve scatter calculation efficiencies by more than 4 orders of magnitude. To achieve this, the user must optimize the input parameters to the specific simulation geometry. Realizing the full potential of the denoising algorithm requires keeping the statistical uncertainty below a threshold value above which the efficiency drops exponentially.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The search for transient astrophysical neutrino emission with IceCube-DeepCore

We present the results of a search for astrophysical sources of brief transient neutrino emission using IceCube and DeepCore data acquired between 2012 May 15 and 2013 April 30. While the search methods employed in this analysis are similar to those used in previous IceCube point source searches, the data set being examined consists of a sample of predominantly sub-TeV muon-neutrinos from the Northern Sky (−5{sup ∘}<δ<90{sup ∘}) obtained through a novel event selection method. This search represents a first attempt by IceCube to identify astrophysical neutrino sources in this relatively unexplored energy range. The reconstructed direction and time of arrival of neutrino events are used to search for any significant self-correlation in the data set. The data revealed no significant source of transient neutrino emission. This result has been used to construct limits at timescales ranging from roughly 1 s to 10 days for generic soft-spectra transients. We also present limits on a specific model of neutrino emission from soft jets in core-collapse supernovae.

79 ASTRONOMY AND ASTROPHYSICS↗

Extragalactic Peaked-spectrum Radio Sources at Low Frequencies

We present a sample of 1483 sources that display spectral peaks between 72 MHz and 1.4 GHz, selected from the GaLactic and Extragalactic All-sky Murchison Widefield Array (GLEAM) survey. The GLEAM survey is the widest fractional bandwidth all-sky survey to date, ideal for identifying peaked-spectrum sources at low radio frequencies. Our peaked-spectrum sources are the low-frequency analogs of gigahertz-peaked spectrum (GPS) and compact-steep spectrum (CSS) sources, which have been hypothesized to be the precursors to massive radio galaxies. Our sample more than doubles the number of known peaked-spectrum candidates, and 95% of our sample have a newly characterized spectral peak. We highlight that some GPS sources peaking above 5 GHz have had multiple epochs of nuclear activity, and we demonstrate the possibility of identifying high-redshift ( z > 2) galaxies via steep optically thin spectral indices and low observed peak frequencies. The distribution of the optically thick spectral indices of our sample is consistent with past GPS/CSS samples but with a large dispersion, suggesting that the spectral peak is a product of an inhomogeneous environment that is individualistic. We find no dependence of observed peak frequency with redshift, consistent with the peaked-spectrum sample comprising both local CSS sources and high-redshift GPS sources. The 5 GHz luminosity distribution lacks the brightest GPS and CSS sources of previous samples, implying that a convolution of source evolution and redshift influences the type of peaked-spectrum sources identified below 1 GHz. Finally, we discuss sources with optically thick spectral indices that exceed the synchrotron self-absorption limit.

79 ASTRONOMY AND ASTROPHYSICS↗

Evaluation of genomic selection and marker-assisted selection in Miscanthus and energycane

Abstract Although energycane ( Saccharum spp. hybrids) is widely used as a source of lignocellulosic biomass for bioethanol, breeding this crop for disease resistance is challenging due to its narrow genetic base. Therefore, efforts are underway to introgress novel sources of genetic resistance from Miscanthus into energycane. Given that disease resistance in energycane could be either qualitative or quantitative in nature, careful examination of a wide variety of genomic-enabled breeding approaches will be crucial to the success of such an undertaking. Here we examined the efficiency of both genomic selection (GS) and marker-assisted selection (MAS) for traits simulated under different genetic architectures in F 1 and BC 1 populations of Miscanthus × Miscanthus and sugarcane × sugarcane crosses. We observed that the performance of MAS was comparable and sometimes superior to GS for traits simulated with four quantitative trait nucleotides (QTNs). In contrast, as the number of simulated QTN increased, all four GS models that were evaluated tended to outperform MAS, select more phenotypically optimal F 1 individuals, and accurately predict simulated trait values in subsequent BC 1 generations. We therefore conclude that GS is preferable to MAS for introgressing genetic sources of horizontal disease resistance from Miscanthus to energycane, while MAS remains a suitable option for introgressing vertical disease resistance.

59 BASIC BIOLOGICAL SCIENCES↗