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At least 739 records · Page 41

SAM Plug-in Development (Phase I Final Report)

The DOE Office of Nuclear Energy (NE) has created an extensive set of advanced modeling and simulation tools for nuclear engineering analysis. The advanced capabilities of these newer analysis codes require more in-depth training, skills, and knowledge in order to effectively utilize them for the design, analysis, and licensing of advanced nuclear systems and experiments. A high learning curve for inexperienced users may deter organizations from incorporating these tools into their internal processes. This project involved development of a plug-in to the Symbolic Nuclear Analysis Package (SNAP) for the System Analysis Module (SAM) tool. SAM is an advanced system analysis tool for reactor transient analyses being developed at Argonne National Laboratory under the U.S. DOE Office of Nuclear Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. SAM utilizes an object-oriented application framework (MOOSE), and its underlying meshing and finite-element library (libMesh) and linear and non-linear solvers (PETSc), to leverage modern advanced software environments and numerical methods. SNAP provides a highly flexible framework for creating, modifying and documenting input for engineering analysis codes such as SAM as well as extensive functionality for submitting, monitoring, and interacting with the codes through an intuitive graphical user interface (GUI). The common user interface provided by SNAP minimizes the learning curve for engineers starting with a new analysis code and provides an intuitive framework for transitioning between different analysis codes. SNAP provides a powerful but intuitive interface to facilitate access to advanced modeling and simulation tools for inexperienced users. Unlike many “form based” GUI’s, SNAP maps each engineering code’s component input to an internal database which manages all component input parameters along with component interconnections. This level of abstraction permits SNAP to support several advanced capabilities such as renodalization, model validation and consistency checks, embedded documentation, model notebook generation, data ownership and reviewer tracking, and variable assignment for inputs to name a few. SNAP includes a built-in Python interpreter and is interfaced to several commercial and open source packages including CPython, MATLAB/OCTAVE, Microsoft Office, Open Office, and SANDIA’s DAKOTA package which provides Uncertainty Quantification analysis through the SNAP plug-ins. Phase I of this project involved development a fully functional basic SAM plug-in to SNAP. This plug-in provides the ability to import existing models, graphically construct, edit and submit models using SNAP’s extensive functionality.

99 GENERAL AND MISCELLANEOUS↗

“Experimental investigation of the governing parameters of atmospheric ice nucleation using field-collected and laboratory generated aerosol particles and its application in cloud resolving models” (Final Report)

The objective of this research project is to improve our understanding of the role of aerosol particles acting as ice-nucleating particles (INPs) which in turn define the mixed-phase and cirrus cloud radiative properties and thus climate. The focus is placed on how the physicochemical particle population properties determine the particles’ ability to initiate ice nucleation. This research project combined micro-spectroscopic particle analysis, experimental ice nucleation studies, and model sensitivity studies to advance our predictive capability of the formation of mixed-phase and cirrus clouds. These project activities have led to new ice nucleation data from laboratory generated and ambient (authentic) aerosol particles furthering process-level understanding, insights in the role of organic aerosol in ice formation, and advancements in the interpretation and parameterization of ice nucleation.

54 ENVIRONMENTAL SCIENCES↗

Probing Coherent States of Light and Matter in Two-Dimensional Semiconductors. Final Report

The ability to enhance light-matter interactions in engineered optical environments is well-established in micro- and nano-photonics. New classes of materials bring new rich correlations between spin, momentum, and light polarization that can be exploited in these photonic systems for information processing and low-power electronics. Interfacing these novel material features with strong optical interactions suggests the compelling capability to create hybrid light-matter systems harnessing low-energy and protected material properties such as spin. The long-term objective of this program was to investigate the interplay between pseudospin in 2D materials and light, revealing new coherent phenomena. The materials studied are the monolayer transition metal dichalcogenides (TMDs), which support polarization-sensitive optical transitions when isolated to a single sub-nanometer crystal layer in thickness. In particular, monolayer TMD semiconductors such as MoS 2 exhibit degenerate valleys in momentum space with distinct spin character. These valleys can be separately addressed by circularly polarized light, providing a tool for manipulation. Integrating this valley pseudospin of excitons in monolayer TMDs with engineered strong optical excitations to create novel coherent phenomena was a key long-term goal of this research. The scope of this research primarily focused on studying light-matter interactions of valley-sensitive excitations in monolayer TMDs. The scope also included the integration of monolayer materials that support valley-polarized emission into photonic devices. This approach extends prior work on exciton-polaritons in 2D materials toward a platform with far more control and improved light input and output characteristics to aid scalability of these polarization-sensitive phenomena to many-body, long-range optical networks. During the course of the five-year Early Career program, the approaches led to successful progress on each proposed aim. Initial successful work seeded additional research that developed from the main themes, while this program focus evolved toward coherent manipulation of valley polaritons and integration with photonics. Both of these advanced topics set the stage for new capabilities in future innovative research. The results of this project provide advances in materials and methods relevant for new visions of opto-electronics and photonics that can improve information processing in an era of increased focus on quantum and coherent phenomena. The research has also contributed to the training of two postdoctoral scholars and five graduate students.

2D Materials↗

Tribal Renewable Energy: Bishop Paiute Tribe, Residential Solar Program Phase II (Final Report)

The project consisted of the design, installation, inspection, and interconnection of 35 grid-tied, solar electric systems, totaled 123 kW rated capacity, on qualified existing low-income single-family homes located within the Bishop Paiute Reservation, which provide at least 65-79% savings in displaced electricity. Tribal job trainees were hired for each installation, gaining valuable job experience. Additionally, each homeowner was educated on energy efficiency and renewable energy. The overall project goal was to deploy clean energy systems in order to achieve the Bishop Paiute Tribe’s long-term goals of energy self-sufficiency, environmental protection, and better lives for our Tribal members and community. The energy displaced was 82.4 percent of total electricity used (exceeding estimated 65-79%)or over 170,000 kWh/year generating approximately $1.29 million worth of power for low-income families over their lifespans, while eliminating an estimated 2,640 tons of greenhouse gas emissions. This reduction makes a significant difference on the reservation giving more families money to spend on other essential items, while reducing their carbon footprint in this beautiful mountain community. Also, implementing these 35 systems provided a approximately 132 hours of paid solar installation work for tribal members. Training and good paying jobs are scarce on the reservation and solar is the fastest growing industry in CA and this training offered our members a real chance to learn and then get paid. The program is very significant to the family who qualified, as most families fall below the federal poverty guidelines, and many are living paycheck to paycheck. Overall, the triple impact of the Bishop Paiute Tribe Residential Solar Program Phase II— affordable energy for low-income families, on-site clean energy production, and hands-on solar installation jobs for local workers—these all help build the Tribe’s energy, economic, environmental, and social self-sufficiency and sovereignty amongst the most needy on the Reservation

14 SOLAR ENERGY↗

Tribal Renewable Energy: Bishop Paiute Tribe Youth Solar Job Training Development (Final Report)

This Project provided workshops and hands on opportunities for young tribal adults to gain education,training,and employment in the solar industry; including 1 youth to meet the eligibility requirements for the NABCEP Solar Installer Exam. 10 tribal youth, ages 16-24, attended workshops focused on learning solar fundamentals and then applied those learned skills to hands on training, installing solar on 2 tribal homes. GRID provided certificates authenticating their volunteer hours and skills learned. This program of youth training really excited the tribal leadership as well as the tribal youth. This opportunity was in alignment with the tribe’s Strategic Energy Plan, and supported tribal self-sufficiency, a path to economic development and for the youth it also represented the environmental stewardship the tribe believes in.

14 SOLAR ENERGY↗

Fundamental Studies in Basic Plasma Science: Experimental Investigations of Alfven Wave Damping Processes Relevant to the Solar Corona (Final Report)

Motivated by recent observations suggesting that the solar corona is heated by Alfvén wave damping at unexpectedly low heights, we performed experiments to study the basic plasma physics of Alfvén wave dissipation. Proposed coronal damping mechanisms rely on inhomogeneities in the plasma, but these theories have not been systematically studied in the laboratory. We performed experiments using the Large Plasma Device (LAPD) to test these theories.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Functional Photoresists for Energy Applications. Final Report

Monolithic ultralow-density porous bulk materials have recently attracted much interest due to many emerging applications in the areas of catalysis, energy storage and conversion, and thermal insulation. They are also important components of high energy density (HED) and inertial confinement fusion (ICF) targets. However, despite tremendous progress that has been made in the synthesis of porous materials, deterministic and independent control over microscopic architecture, density and composition remain key issues, and their integration in high precision devices requires cost and time-intensive mechanical machining that not only reduces reproducibility by generating debris but also limits the complexity of the 3D shapes that can be realized. In this project, we overcame these limitations by developing a universal templating capability that provides deterministic and independent control over density, composition, architecture, and macroscopic sample shape. This was achieved by developing the technology to 1) 3D print ultrahigh resolution, ultra-high precision polymeric micro-lattice templates, 2) coat these templates with the desired materials, and 3) removing the template (Fig. 1a). Atomic layer deposition (ALD) provides the atomic scale coating thickness accuracy required for precisely controlling density. While this templating approach had been demonstrated in prior work, limitations in suitable photoresists, 3D print technologies, print design, and template removal techniques did not allow the fabrication of millimeter-sized high-precision parts with sub-micron resolution. To enable this technology, we developed 1) two-photon polymerization (TPP) print designs that enable the fabrication of millimeter-sized, mechanically robust polymeric templates with sub-micron resolution and 2) a continuum level TPP printing simulation capability for additional print design guidance; 3) atomistic models to study photoresist polymerization kinetics and network topography, 4) refractive index matched polymeric and preceramic TPP photoresists, and 5) functional TPP photoresists including porous voxel structures and self-immolative polymer photoresist chemistries; and 6) damage free template removal techniques that enable the fabrication of defect-free high-precision low-density foam components. We also developed a templating approach for pure carbon microlattices with a unique tube-in-tube ligament morphology. As a test platform, we pursued the fabrication of foam liners that promise to further increase the neutron yield in indirect drive ICF experiments by improving implosion symmetry control and coupling between the laser and the deuterium-tritium fuel. This application requires fabrication and integration of a ultra-high precision, millimeter-sized, thin-walled (200-400 micrometer thick), low-density (10-30 mg/cc), high atomic number (high Z) cylindrical foam tube into the gold hohlraum of an indirect drive ICF target (Fig. 1b). While our hohlraum liner test case will mainly find application in HED and ICF experiments, the underlying science will also directly apply to previously developed nanoparticle and additive manufacturing technologies and will advance those techniques as well.

36 MATERIALS SCIENCE↗

Final Report For Project TCF-18-15778

This report documents work performed under the Technology Commercialization Fund (TCF-18-15778, Used (spent) nuclear fuel management and analysis tool) award provided by the US Department of Energy (DOE) Office of Technology Transitions (OTT). This report describes various Used Nuclear Fuel-Storage, Transportation & Disposal Analysis Resource and Data System (UNF-ST&DARDS) enhancements to advance the technology readiness level (TRL). The principal work performed under TCF is the integration of the initial dry storage loading optimization algorithm into UNF-ST&DARDS.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Improving tide-estuary representation in MPAS-Ocean (Final Report)

The overarching goal of this research is to produce a skill-assessed tide-estuary representation, including BGC (biogeochemistry) components of the ecosystem, into the MPAS-O global climate modeling system. Specifically, in the original proposal we proposed one-way nesting, into global MPAS-O, of a high-resolution model for TES (tidal and estuary systems) including the coupling of the BGC components. We have completed the proposed tasks during the past 4 years. Specifically, after extensive consultation with the MPAS-O group during the first year, we have decided to go beyond the original proposal and to two-way nest SCHISM into MPAS-O. As a result, SCHISM-CoSiNE (with CoSiNE being the BGC model) is now fully integrated into MPAS-O as a subroutine (more precisely, an analysis member) and can be invoked as MPAS-O is running with two-way exchange of information between the TES and global models (with proper spatial interpolation done on the fly). As originally proposed, we have also developed the new finite-volume (FV) model MPAS-OI (aka ELCIRC-sub) for TES. We have conducted several tests using the coupled MPAS-SCHISM- CoSiNE model and also MPAS-OI for Columbia River, San Francisco Bay and Chesapeake Bay. Four journal publications have been produced so far as the result of the project and 1 is under review (cf. Publication section). With these achievements, we will be ready to conduct fully coupled simulations of TES and global ocean anywhere, as soon as some missing capabilities in MPAS-O (e.g. tides, improved ability to handle the boundary conditions, and streamlining of the global BGC model) are worked out. The significance of the outcome of this project cannot be overstated. It marks the first time, as far as we know, that a global climate model is tightly coupled to a bona fide nearshore and terrestrial model (SCHISM system); in fact SCHISM is the first bona fide compound flooding model that seamlessly covers the coastal ocean, estuaries, rivers and watersheds (Ye et al. 2020; Zhang et al. 2020). The coupled model will reduce the errors and uncertainties of the MPAS-O global climate model system. It also complements and extends on-going E3SM project, as the latter seeks in the long-term to include components required to simulate impacts of sea-level change and storm surge on coastal regions, including wave models and focusing resolution in coastal and storm-track regions, as an important component of the Cryosphere-ocean system. Note that a spectral wave model (the unstructured-grid version of Wave Watch III, aka Wind Wave Model) is already incorporated inside the SCHISM system and is therefore directly accessible in the coupled system.

58 GEOSCIENCES↗

The Study of Environmental Arctic Change (SEARCH) Arctic Futures 2050 Conference. Final Report

The Arctic Futures 2050 Conference was designed as a novel convening of Arctic scientists, Indigenous people, and decision makers, including policy makers at all levels of government. The conference was held 4–6 September 2019 in Washington, D.C. and gathered nearly 400 participants to explore six questions: What do we know, and what do we need to know about the Arctic—and why does it matter? What challenges confront policy makers in the rapidly changing Arctic? What basic research is needed to inform responses to Arctic change? What applied research is needed to inform responses to change? What tools can facilitate informing policy making with science and Indigenous knowledge? What opportunities exist for partnerships between policy makers and scientists? A conference report (see: https://www.searcharcticscience.org/arctic-2050/conference-2019/products) detailed all conference discussions. The main conference conclusion was that holistic understanding and useful adaptation to rapid Arctic change requires bringing together scientists, Indigenous Knowledge holders, and policy makers in all phases of defining the problems, conducting research, and sharing knowledge.

54 ENVIRONMENTAL SCIENCES↗

Hydrogen Plant Hazards and Risk Analysis Supporting Hydrogen Plant Siting near Nuclear Power Plants (Final Report)

Nuclear power plants (NPPs) are considering flexible plant operations to take advantage of excess thermal and electrical energy. One option for NPPs is to pursue hydrogen production through high temperature electrolysis as an alternate revenue stream to remain economically viable. The intent of this study is to investigate the risk of a high temperature steam electrolysis hydrogen production facility (HTEF) in close proximity to an NPP. This analysis evaluates a postulated HTEF located 1 km from an NPP, including the likelihood of an accident and the associated consequence to critical NPP targets. This analysis shows that although the likelihood of a leak in an HTEF is not negligible, the consequence to critical NPP targets is not expected to lead to a failure at a distance of 1 km. Furthermore, the minimum separation distance of the HTEF is calculated based on the target fragility criteria of 1 psi defined in Regulatory Guide 1.91.

08 HYDROGEN↗

Interactions between Surface Chemistry and Gas-Phase Combustion: New Optical Tools for Probing Flame-Wall Interactions and the Heterogeneous Chemistry of Soot Growth and Oxidation in Flame. Final report

Some of the most stubborn and technologically critical problems in combustion are dominated by heterogeneous processes. While purely gas-phase combustion systems have been the subject of intense theoretical and experimental study, combustion phenomena occurring at interfaces are far less understood. This is partly caused by the lack of experimental approaches capable of probing locations very close to an interface, especially in the hostile environment of combustion. For laser-based optical techniques, measurements taken near interfaces are often complicated by laser scattering from the surface interfering with relatively weak signals. Further, for measurements intended to probe molecular species adsorbed at the interface between a gas-phase combustion reaction and a condensed phase material, signals are generally overwhelmed by contributions from the bulk phases, causing the small contribution from the interfacial molecular species to be undetectable. Our goal in this project has been to develop new optical tools for imaging chemical species, temperature, and surface species at and near surfaces or interfaces of relevance to combustion. We have placed focus on the development and refinement of ultrafast techniques such as femtosecond coherent Raman imaging and femtosecond/picosecond sum-frequency generation (SFG) scattering, as well as the models used to simulate such spectra under differing conditions of pressure and chemical speciation. The two physical phenomena initially targeted for study in this project were flamewall interactions, and the growth of particulates in flames.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Scale-Up of Electrode Coating and Flow-Field for Commercial Hydrogen Peroxide Electrolyzer: Cooperative Research and Development Final Report, CRADA Number CRD-17-00687

Hydrogen peroxide is currently produced at central chemical plants via the anthraquinone oxidation process. This process produces environmental pollutants that are costly to remediate, requires hazardous long distance shipping of highly concentrated peroxide (50% or 70%), and necessitates extra handling costs related to storage and dilution. Peroxygen Systems, Inc. (PSi) is developing breakthrough technology for on-site hydrogen peroxide production. PSi’s on-site on-demand electrolyzer can reduce the cost of producing hydrogen peroxide by 50%, while also completely eliminating the cost and safety issues associated with shipping and handling of high concentration hydrogen peroxide. The challenge for PSi is scaling. To support the next step toward commercialization (customer pilot tests), scaling the prototype into larger single cells and 20-40 cell stacks is required. In addition to internal hardware and flow-field design efforts at PSi, NREL will address three critical problems for this scale-up effort: (1) demonstrating a large scale roll-to-roll (R2R) process to coat uniform electrode materials for 100 cm2 and 500 cm2 stack testing, (2) demonstrating an in-line diagnostic to achieve better electrode quality control, and (3) performing in situ cell/stack testing to better understand and optimize the performance of the flow field design.

28 EE - Advanced Manufacturing Office (EE-5A)↗

Inkjet Printing to Scale Perovskite and Silicon Tandem Solar Cell: Cooperative Research and Development Final Report, CRADA Number CRD-17-00690

The proposed project seeks to develop a method for inkjet printing of the active layer in perovskite solar cells for application in stand-alone products or added to conventional silicon solar cells in a mechanically-stacked tandem configuration. This technology presents significant advanced manufacturing challenges and opportunities in getting to scale, including development of novel uses for printing technologies and development of predictive quality control techniques.

14 SOLAR ENERGY↗

Monolithic Spatial Heterodyne Raman Spectrometers (mSHRS): Toward highly miniature chemical sensors for deployment on moving platforms (Final Report, Phase I)

This report covers phase 1 (year 1) of the mSHRS project. Our ultimate long-term goal is to develop highly miniature Raman analyzers, known as spatial heterodyne Raman spectrometers (SHRS), that are deployable as in-situ chemical sensors on moving platforms. During Phase I (FY19/20) funding, our team focused our efforts solely on the key innovation needed toward realizing that goal: the development of the monolithic interferometer comprising the beam splitter and gratings with the appropriate design parameters and tolerances to enable Raman interferometry. We successfully developed and characterized the performance of the first monolithic SHRS devices including a monolithic version that incorporates field-widened optics. Our solid-state design approach integrated all optical components as a single monolithic unit for maintaining precise optical alignment during sensor operation, a requirement for operating in a vibration prone environment. This project has two principle activities: (1) Design and fabricate monolithic SHRS devices (i.e. monolithic device task) and (2) characterize the mSHRS devices in terms of performance (i.e. the Monolithic SHRS characterization task).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Quantum Algorithms for Collider Physics (Final Report)

The goal of this project was to unite powerful analysis techniques in high-energy physics (HEP) with cutting-edge advances in quantum information science (QIS). Almost every event at the Large Hadron Collider (LHC) involves jets, collimated sprays of particles that are copiously produced in proton-proton collisions. Current LHC algorithms to identify and classify jets are constrained by the limits of classical computation. Quantum algorithms could fundamentally change how collider data is analyzed, by speeding up existing classical algorithms and by enabling new quantum jet representations. By exploiting the capabilities of quantum computation, this research confronted the challenge of data analysis in collider physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Macro-physical Properties of Shallow Cumulus from Integrated ARM Observations (Final Report)

Fair-weather shallow cumuli (ShCu) play an important role in many climate-related processes. Irregular geometry of ShCu and their strong temporal and spatial variability make it challenging to observe ShCu holistically and to represent them correctly in climate models. To improve ShCu parameterizations, information on both vertically and horizontally resolved cloud properties is required. Commonly, the vertically resolved cloud properties are provided by zenith pointing lidar-radar observations with a very narrow field of view (FOV). Thus, these “pencil-beam” properties may not be representative of a larger surrounding area. Limited number of areal-averaged cloud properties, such as fractional sky cover (FSC), are offered typically by wide-FOV observations. The main goal of our project was to integrate advantages of the narrow-FOV (vertical structure of clouds) and wide-FOV (spatial arrangement of clouds) observations for an improved characterization of single-layer ShCu observed at the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site for an 18-yr period (2000-2017). There are four major accomplishments of our project, First, an updated operational cloud classification for days with ShCu has been suggested and evaluated through a detailed comparison with the manually curated records. Our classification extends successfully the latest ARM cloud type Value Added Product (VAP) based on the Active Remote Sensing of Clouds (ARSCL) cloud product by incorporating both cloud fraction (CF) provided by narrow-FOV ceilometer data and FSC from wide-FOV images offered by a Total Sky Imager (TSI). Moreover, our classification allows one to identify impact of instrumentation changes at the SGP site, namely the transition to KAZRARSCL with the updated cloud radar, on the identification of periods with single-layer ShCu. Second, a new approach that resolves cloud area distributions for a given region (up to 4x4 km 2 ) has been suggested and cloud equivalent diameters (CEDs) have been estimated for the first time. These estimations have been performed over a wide range of cloud sizes (about 0.01–3.5 km) with high temporal resolution (30s) using wide-FOV TSI images and cloud base height (CBH) provided by complementary narrow-FOV lidar measurements. Our simple and computationally inexpensive approach offers a previously unavailable dataset for process studies in the convective boundary layer and evaluation of ShCu parameterizations in cloud-resolving models. Third, a long-term integrated record of ShCu macrophysical properties has been developed. The developed record represents the longest available compilation of events with ShCu and includes (i) a novel visualization of the spatial variability in cloud cover both along- and across-wind directions, (ii) updated estimates of narrow-FOV CF and wide-FOV FSC, (iii) updated narrow-FOV CBH, and (iv) complementary data, such as wind speed and direction from the 915-MHz Radar Wind Profiler (RWP) data. The developed record has been used successfully to assess conventional observational estimates of cloud cover and their sensitivity to the following two factors: (i) instrument-dependent cloud detection and data merging criteria and (ii) FOV configuration. Fourth, co-variability of the ShCu macrophysical properties and environmental parameters has been analyzed for a 3-yr period (2016-2018). Our initial analysis includes diurnal changes of FSCs obtained for clouds with small, moderate and large CEDs and several environmental parameters, such as lifted condensation level (LCL) and mixed layer height (zi). Preliminary results of our analysis suggest that the horizontal extent of ShCu is controlled substantially by the sign and magnitude of difference between these two parameters (zi-LCL): the CED tends to grow with increase of this difference (zi exceeds LCL). We have initiated relationships between the ShCu and key atmospheric parameters that control both the development and evolution of ShCu using our new data product, which combines effectively the advantages of narrow-FOV data offered by zenith pointing cloud radars and lidars and wide-FOV TSI images. While the latest instrumentation at the ARM sites may address these challenging relationships in the future, we believe that the historical ARM data at the SGP site has not yet been fully utilized. Overall, our data product can be used by researchers working on a wide range of climate-related projects. These projects may include (i) a comprehensive evaluation of outputs from the Large-Eddy Simulation (LES) and single-column models for their future improvement, (ii) the representativeness of “short-period” results obtained from the previous model and observational studies and (iii) the planning of future field campaigns with focus on improved understanding of the diurnal cycle of cumulus convection.

54 ENVIRONMENTAL SCIENCES↗