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DOE OSTI2016

Chloroplast Dynamics and Photosynthetic Efficiency: Final Technical Report

This project investigated the mechanism by which chloroplasts position themselves to maximize solar energy utilization, to enhance gas exchange, to minimize environmental stress, and to promote efficient exchange of metabolites with other compartments within the plant cell. Chloroplasts move within leaf cells to optimize light levels, moving toward levels of light useful for photosynthesis while moving away from excess light. Plastids sometimes extend their reach by sending out projections (stromules) that can connect anchor chloroplasts in position within the cell or provide close contacts with plasma membrane, mitochondria, peroxisomes, endoplasmic reticulum, and the nucleus. The intracellular location of chloroplasts in relation to other organelles with which they share biosynthetic pathways, such as peroxisomes and mitochondria in photorespiration, affects metabolite flow. This work contributed to the knowledge of the mechanisms of organelle movement and anchoring in specific locations in plant cells and how proteins traffic within the cell. We identified two domains on 12 of the 13 Arabidopsis myosins that were similar to the vacuole-binding (V) domain characterized in yeast and to the DIL domain characterized in yeast and mouse as required for secretory vesicle or melanosome movement, respectively. Because all of the Arabidopsis regions with homology to the V domain contain the amino acid sequence PAL, we refer to this region as the Arabidopsis PAL domain. We have used the yeast Myo2p tail structural information to model the 12 myosin XI tail domains containing the homologous PAL and DIL domains. Eight YFP::DIL domain fusions labeled peroxisomes; none labeled mitochondria or chloroplasts. Six myosin XI Vacuole domains labeled mitochondria and seven labeled Golgi bodies. The Arabidopsis myosin XI-F PAL domain and the homologous myosin XI-F PAL domain from N. benthamiana labels chloroplasts and stromules in N. benthamiana leaves. Using an Arabidopsis line containing hotoconvertible GFP, we observed transfer of protein from one plastid to another and within a stromule from single plastids. We provided time-lapse movies demonstrating movement of both the photoconvertible GFP and standard GFP between plastids. We previously demonstrated the lack of a plastid network within plant cells. We provided protocols explaining how to use fluorescent protein technology to track plastids and stromules within plant cells. We demonstrated that standard GFP unexpectedly could be photoconverted to a red form under certain conditions, allowing the use of GFP lines for studies that require photoconversion.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2016

Assessment of SFR Wire Wrap Simulation Uncertainties

Predictive modeling and simulation of nuclear reactor performance and fuel are challenging due to the large number of coupled physical phenomena that must be addressed. Models that will be used for design or operational decisions must be analyzed for uncertainty to ascertain impacts to safety or performance. Rigorous, structured uncertainty analyses are performed by characterizing the model’s input uncertainties and then propagating the uncertainties through the model to estimate output uncertainty. This project is part of the ongoing effort to assess modeling uncertainty in Nek5000 simulations of flow configurations relevant to the advanced reactor applications of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. Three geometries are under investigation in these preliminary assessments: a 3-D pipe, a 3-D 7-pin bundle, and a single pin from the Thermal-Hydraulic Out-of-Reactor Safety (THORS) facility. Initial efforts have focused on gaining an understanding of Nek5000 modeling options and integrating Nek5000 with Dakota. These tasks are being accomplished by demonstrating the use of Dakota to assess parametric uncertainties in a simple pipe flow problem. This problem is used to optimize performance of the uncertainty quantification strategy and to estimate computational requirements for assessments of complex geometries. A sensitivity analysis to three turbulent models was conducted for a turbulent flow in a single wire wrapped pin (THOR) geometry. Section 2 briefly describes the software tools used in this study and provides appropriate references. Section 3 presents the coupling interface between Dakota and a computational fluid dynamic (CFD) code (Nek5000 or STARCCM+), with details on the workflow, the scripts used for setting up the run, and the scripts used for post-processing the output files. In Section 4, the meshing methods used to generate the THORS and 7-pin bundle meshes are explained. Sections 5, 6 and 7 present numerical results for the 3-D pipe, the single pin THORS mesh, and the 7-pin bundle mesh, respectively.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

CLM5 Simulations of Soil Moisture and Gross Primary Productivity for CONUS at 0.125 degrees

This dataset provides 0.125-degree gridded simulations of soil moisture and gross primary productivity (GPP) for the Contiguous United States (CONUS), generated using the Community Land Model version 5 (CLM5) with the biogeochemistry module enabled. The data covers a historical baseline (1980-2015) and mid-century future projections (2020-2055). Future projections are organized into two sets of scenarios to distinguish the impacts of different drivers: (1) Atmospheric Only (ATM): These scenarios apply future atmospheric forcings while holding land use and land cover (LULC) at historical baseline levels. The atmospheric forcings represent moderately versus severely hotter/drier atmospheric conditions (dynamically downscaled perturbed thermodynamics simulations based on CMIP6 SSP245 and SSP585 warming signals), each with cooler versus hotter Earth System Model temperature sensitivity instantiations. These scenarios are identified in the folder names as rcp45_cooler_near, rcp45_hotter_near, rcp85_cooler_near, and rcp85_hotter_near. (2) Coupled Atmospheric and Land-Use (LAND+ATM): These scenarios apply future atmospheric forcing together with future LULC by pairing atmospheric pathways with lower versus higher population/economic growth scenarios representing Shared Socioeconomic Pathways 3 and 5 (SSP3 and SSP5). These scenarios are identified in the file names as ssp3_rcp45_cooler_near, ssp3_rcp45_hotter_near, ssp5_rcp85_cooler_near, and ssp5_rcp85_hotter_near. Please refer to the "README_first.md" file for detailed information on file structure, variables, units, and data formats.

drought↗

DOE OSTI2019

The Necessity for Iteration in the Application of Numerical Simulation to EGS: Examples from the EGS Collab Test Bed 1

The United States Department of Energy, Geothermal Technologies Office (GTO) is funding a collaborative investigation of enhanced geothermal systems (EGS) processes at the meso-scale. This study, referred to as the EGS Collab project, is a unique opportunity for scientists and engineers to investigate the creation of fracture networks and circulation of fluids across those networks under in-situ stress conditions. The EGS Collab project is envisioned to comprise three experiments and the site for the first experiment is on the 4850 Level in phyllite of the Precambrian Poorman formation, at the Sanford Underground Research Facility, located at the former Homestake Gold Mine, in Lead, South Dakota. Principal objectives of the project are to develop a number of intermediate-scale field sites and to conduct well-controlled in situ experiments focused on rock fracture behavior and permeability enhancement. Data generated during these experiments will be compared against predictions of a suite of computer codes specifically designed to solve problems involving coupled thermal, hydrological, geomechanical, and geochemical processes. Comparisons between experimental and numerical simulation results will provide code developers with direction for improvements and verification of process models, build confidence in the suite of available numerical tools, and ultimately identify critical future development needs for the geothermal modeling community. Moreover, conducting thorough comparisons of models, modelling approaches, measurement approaches and measured data, via the EGS Collab project, will serve to identify techniques that are most likely to succeed at the Frontier Observatory for Research in Geothermal Energy (FORGE), the GTO's flagship EGS research effort. As noted, outcomes from the EGS Collab project experiments will serve as benchmarks for computer code verification, but numerical simulation additionally plays an essential role in designing these meso-scale experiments. This paper reviews specific numerical simulations supporting the design of experiments within Test Bed 1, a volume of phyllite rock under in-situ stress conditions off the western side of the West Access Drift on the 4850 Level, near Governor's Corner. Numerical simulations were executed prior to the start of hydraulic stimulation activities within Test Bed 1 following standard practices, using best estimates of principal stress conditions, thermal conditions, and the rock petrophysical properties, including geomechanical properties. These simulations indicated notching of the borehole would promote the initiation of transverse fractures, seismic magnitudes during the hydraulic stimulation would be below 0.1 magnitude on the Richter scale, a rock thermal conductivity of 5.0 W/m K yielded agreement with kISMET borehole temperature logs, back pressure on the production borehole would increase circulation across the test bed, and the production borehole would serve to halt propagation of the hydraulic fracture to the drift. Pre-existing natural fractures, heterogeneities in the rock properties, monitoring boreholes, and overlooked mine elements have prompted a second look at numerically modeling stimulation, fluid circulation, tracer migration, and thermal breakthrough. Numerical simulation is an invaluable tool for providing insight and understanding to complex physical processes. The success of simulations, however, often depends on including all of the salient features of the system in the founding conceptual model. This paper takes a retrospective look at examples where the conceptual model and simulation was sufficient to provide accurate forecasts and those where elements were missing, necessitating rethinking of the simulation.

15 GEOTHERMAL ENERGY↗

DOE OSTI2019

The Necessity for Iteration in the Application of Numerical Simulation to EGS: Examples from the EGS Collab Test Bed 1

The United States Department of Energy, Geothermal Technologies Office (GTO) is funding a collaborative investigation of enhanced geothermal systems (EGS) processes at the meso-scale. This study, referred to as the EGS Collab project, is a unique opportunity for scientists and engineers to investigate the creation of fracture networks and circulation of fluids across those networks under in-situ stress conditions. The EGS Collab project is envisioned to comprise three experiments and the site for the first experiment is on the 4850 Level in phyllite of the Precambrian Poorman formation, at the Sanford Underground Research Facility, located at the former Homestake Gold Mine, in Lead, South Dakota. Principal objectives of the project are to develop a number of intermediate-scale field sites and to conduct well-controlled in situ experiments focused on rock fracture behavior and permeability enhancement. Data generated during these experiments will be compared against predictions of a suite of computer codes specifically designed to solve problems involving coupled thermal, hydrological, geomechanical, and geochemical processes. Comparisons between experimental and numerical simulation results will provide code developers with direction for improvements and verification of process models, build confidence in the suite of available numerical tools, and ultimately identify critical future development needs for the geothermal modeling community. Moreover, conducting thorough comparisons of models, modelling approaches, measurement approaches and measured data, via the EGS Collab project, will serve to identify techniques that are most likely to succeed at the Frontier Observatory for Research in Geothermal Energy (FORGE), the GTO’s flagship EGS research effort. As noted, outcomes from the EGS Collab project experiments will serve as benchmarks for computer code verification, but numerical simulation additionally plays an essential role in designing these meso-scale experiments. This paper reviews specific numerical simulations supporting the design of experiments within Test Bed 1, a volume of phyllite rock under in-situ stress conditions off the western side of the West Access Drift on the 4850 Level, near Governor’s Corner. Numerical simulations were executed prior to the start of hydraulic stimulation activities within Test Bed 1 following standard practices, using best estimates of principal stress conditions, thermal conditions, and the rock petrophysical properties, including geomechanical properties. These simulations indicated notching of the borehole would promote the initiation of transverse fractures, seismic magnitudes during the hydraulic stimulation would be below 0.1 magnitude on the Richter scale, a rock thermal conductivity of 5.0 W/m K yielded agreement with kISMET borehole temperature logs, back pressure on the production borehole would increase circulation across the test bed, and the production borehole would serve to halt propagation of the hydraulic fracture to the drift. Pre-existing natural fractures, heterogeneities in the rock properties, monitoring boreholes, and overlooked mine elements have prompted a second look at numerically modeling stimulation, fluid circulation, tracer migration, and thermal breakthrough. Numerical simulation is an invaluable tool for providing insight and understanding to complex physical processes. The success of simulations, however, often depends on including all of the salient features of the system in the founding conceptual model. This paper takes a retrospective look at examples where the conceptual model and simulation was sufficient to provide accurate forecasts and those where elements were missing, necessitating rethinking of the simulation.

numerical simulation, EGS Collab, enhanced geother↗

DOE OSTI2018

Numerical Simulation Applications in the Design of EGS Collab Experiment 1

The United States Department of Energy, Geothermal Technologies Office (GTO) is funding a collaborative investigation of enhanced geothermal systems (EGS) processes at the meso-scale. This study, referred to as the EGS Collab project, is a unique opportunity for scientists and engineers to investigate the creation of fracture networks and circulation of fluids across those networks under in-situ stress conditions. The EGS Collab project is envisioned to comprise three experiments and the site for the first experiment is on the 4850 Level in phyllite of the Precambrian Poorman formation, at the Sanford Underground Research Facility, located at the former Homestake Gold Mine, in Lead, South Dakota. Principal objectives of the project are to develop a number of intermediate-scale field sites and to conduct well-controlled in situ experiments focused on rock fracture behavior and permeability enhancement. Data generated during these experiments will be compared against predictions of a suite of computer codes specifically designed to solve problems involving coupled thermal, hydrological, geomechanical, and geochemical processes. Comparisons between experimental and numerical simulation results will provide code developers with direction for improvements and verification of process models, build confidence in the suite of available numerical tools, and ultimately identify critical future development needs for the geothermal modeling community. Moreover, conducting thorough comparisons of models, modelling approaches, measurement approaches and measured data, via the EGS Collab project, will serve to identify techniques that are most likely to succeed at the Frontier Observatory for Research in Geothermal Energy (FORGE), the GTO’s flagship EGS research effort. As noted, outcomes from the EGS Collab project experiments will serve as benchmarks for computer code verification, but numerical simulation additionally plays an essential role in designing these meso-scale experiments. This paper describes specific numerical simulations supporting the design of Experiment 1, a field test involving hydraulic stimulation of two fractures from notched sections of the injection borehole and fluid circulation between sub-horizontal injection and production boreholes in each fracture individually and collectively, including the circulation of chilled water. Whereas the mine drift allows for accurate and close placement of monitoring instrumentation to the developed fractures, active ventilation in the drift cooled the rock mass within the experimental volume. Numerical simulations were executed to predict seismic events and magnitudes during stimulation, initial fracture orientations for smooth horizontal wellbores, pressure requirements for fracture initiation from notched wellbores, fracture propagation during stimulation between the injection and production boreholes, tracer travel times between the injection and production boreholes, and produced fluid temperatures with chilled water injections, and pressure limits on fluid circulation to avoid fracture growth.

Numerical Simulation, EGS Collab, EGS, Sanford Und↗

DOE OSTI2017

The Role of Numerical Simulation in the Design of Stimulation and Circulation Experiments for the EGS Collab Project

Numerical Simulation, EGS Collab, EGS, Sanford Und↗

DOE OSTI2024

Modernizing the Legacy Fission Wire Measurement System for the Advanced Test Reactor-Critical Facility

Operational lifetime extensions of existing research reactors have emphasized the need for refurbishment, replacements, and upgrades to supporting equipment and instrumentation. The Advanced Test Reactor (ATR) at Idaho National Laboratory (INL), which entered service in 1967, has recently completed the sixth core internals change-out and has scheduled operations until at least 2040. Reactor maintenance and operational risk management is critically important in the research reactor community, however supporting measurement systems sometimes get overlooked when maintenance is planned. The Fission Wire Measurement System (FWMS) is a custom measurement system designed in the 1960s to measure the beta-particle activity of irradiated uranium-aluminum fission wires. This measurement is conducted to determine the fission rate profile of the Advanced Reactor Test Critical (ATR-C) facility. The ATR-C is an open-pool, low-power test reactor that was purpose driven to resemble ATR and is used to qualify experiment configurations and verify core models prior to full-power experiment irradiations in ATR. A power distribution measurement in ATR-C uses uranium-aluminum wires that are distributed throughout the ATR-C core to validate simulation and modeling results. These measurements require 340 to 1500 wires to be irradiated and measured within a 12-hour window. The activity of the wires is measured in the required time with the FWMS, which was put into service in 1965 at the Radiation Measurements Laboratory (RML). The system consists of 4 measurement channels and one reference channel, each with a 2-pi proportional gas flow detector and the measurement channels each have an automated sample changer. This legacy system is crucial to the continued operations of ATR and has undergone some minor hardware upgrades since 1965, however the system presently relies on custom control boards, custom gas ion chambers, analog amplifiers/discriminators, and a user interface (UI) for the system written in outdated code. Much of the equipment and software is custom with no commercial replacements or support and limited documentation. The existing control software requires an operating system that is no longer supported, creating more vulnerabilities to continued operations. A project is underway with a third-party vendor to design, build, and document a new control and data acquisition system (CDAS) for the FWMS. The new upgrade will replace the control system, computer, UI, sample changer motors, and main power supply while maintaining the interface with existing detector hardware. The upgraded system will be operated in parallel with the current hardware and software to conduct validation testing. This equipment upgrade demonstrates the commitment at ATR to ensuring successful operations and potential future research reactors at INL.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

DOE OSTI2014

Statistically significant relational data mining :

This report summarizes the work performed under the project (3z(BStatitically significant relational data mining.(3y (BThe goal of the project was to add more statistical rigor to the fairly ad hoc area of data mining on graphs. Our goal was to develop better algorithms and better ways to evaluate algorithm quality. We concetrated on algorithms for community detection, approximate pattern matching, and graph similarity measures. Approximate pattern matching involves finding an instance of a relatively small pattern, expressed with tolerance, in a large graph of data observed with uncertainty. This report gathers the abstracts and references for the eight refereed publications that have appeared as part of this work. We then archive three pieces of research that have not yet been published. The first is theoretical and experimental evidence that a popular statistical measure for comparison of community assignments favors over-resolved communities over approximations to a ground truth. The second are statistically motivated methods for measuring the quality of an approximate match of a small pattern in a large graph. The third is a new probabilistic random graph model. Statisticians favor these models for graph analysis. The new local structure graph model overcomes some of the issues with popular models such as exponential random graph models and latent variable models.

Berry, Jonathan W.↗

DOE OSTI2023

Gulf of Mexico Offshore Wind Energy Hurricane Risk Assessment

NREL's feasibility assessment of offshore wind in the Gulf of Mexico concluded that hurricane risk was one of the major challenges that would need to be overcome for a mature offshore wind industry to develop in the Gulf of Mexico. To ensure the robust design of wind turbines in the Gulf of Mexico, it is critical to understand the added risk posed by the threat of major hurricanes, as those affecting the Gulf of Mexico region have a significant potential to exceed design limits prescribed by the International Electrotechnical Commission (IEC) wind design standards. To satisfy this charge, this project defines the wind hazard for the Gulf of Mexico Offshore Wind Energy area using the hurricane hazard model develop by Applied Research Associates and published extensively in the open literature. In doing so, the return periods associated with the IEC Class 1A and Typhoon Class limit-state hurricanes are estimated on a grid with nominal resolution of 10 km to determine where hurricane risk results in the exceedance of the IEC design criteria. On the same grid, wind speeds hazard contours associated with return periods varying from 50 to 1,000 years are also estimated. An additional challenge in assessing hurricane wind speed risk in the Gulf of Mexico arises from inconsistent terminology across the Saffir-Simpson hurricane scale and the IEC design criteria. Saffir-Simpson definitions are based on 1-minute sustained wind speeds estimated at 10-m height over marine terrain, while the IEC uses a different averaging period (3-second versus 1-minute) and reference height (assumed herein a hub height of 150 m versus 10 m). Employing the latest research on turbulence characteristics of the hurricane boundary layer, conversions between various durations (e.g., 3-seconds, 1-minute, 10-minutes, 1-hour) and between elevations near the surface (10 m) to near hub height (assumed herein 150 m) are developed. IEC Class 1A and Typhoon Class limit states are also provided in terms of an equivalent Saffir-Simpson hurricane wind speed category.

17 WIND ENERGY↗

DOE OSTI2013

Planetary Boundary Layer Height (PBL) Value Added Product (VAP): Radiosonde Retrievals

The planetary boundary layer (PBL) can be defined as “that part of the troposphere that is directly influenced by the presence of the earth’s surface…” (Stull 1988). The PBL height (or mixing layer depth) can vary significantly with time due to a number of factors including large-scale dynamics, cloudiness, convective mixing, and the diurnal cycle of solar radiation. The structure and depth of the PBL is important to a wide range of atmospheric processes, including cloud formation; aerosol mixing, transport, and transformation; and chemical mixing, transport, and transformation. Errors in the determination of the PBL height in models can significantly impact the formation and maintenance of low-level clouds (Zeng et al. 2004). Routine estimates of PBL height are useful for a wide range of research projects and therefore, it was proposed that a PBL height value added product (VAP) be developed for the Atmospheric Radiation Measurement (ARM) program. Numerous instruments (e.g., radiosonde, ceilometer, backscatter lidar, Doppler wind lidar, and sodar) and algorithms have been used for PBL height detection, each with their own strengths and weaknesses (Seibert et al. 2000). In order to speed development of a PBL height product, it was decided to take a phased approach to data set development and begin with relatively simple and mature algorithms that can be applied to instruments available at all ARM sites before moving on to more sophisticated algorithms and/or instrumentation. In the first phase of the VAP development (described in this technical report), we describe the implementation of a PBL Height VAP for radiosonde measurements, which we refer to as the PBLHeightSonde VAP. Radiosonde measurements are one of the most common methods for determining PBL or mixing layer height. Often, experienced meteorologists manually estimate PBL height by examining profiles of potential temperature and moisture; however, several operational PBL height estimation methods have been developed (Seibert et al. 2000). As there is no “truth” to evaluate PBL height estimates and since the definition of PBL height is somewhat subjective, we implemented several different methods of estimating PBL or mixed layer height from radiosonde profiles. The differences between the estimates from the various methods can be considered a partial estimate of the uncertainty in the PBL height values.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2013

HIGH-RESOLUTION STUDY OF THE CLUSTER COMPLEXES IN A LENSED SPIRAL AT REDSHIFT 1.5: CONSTRAINTS ON THE BULGE FORMATION AND DISK EVOLUTION

We analyze the clump population of the spiral galaxy Sp 1149 at redshift 1.5. Located behind the galaxy cluster MACS J1149.5+2223, Sp 1149 has been significantly magnified allowing us to study the galaxy on physical scales down to {approx}100 pc. The galaxy cluster frame is among the targets of the Cluster Lensing And Supernova survey with Hubble (CLASH), an ongoing Hubble Space Telescope (HST) Multi-Cycle Treasury program. We have used the publicly available multi-band imaging data set to reconstruct the spectral energy distributions of the clumps in Sp 1149, and derive, by means of stellar evolutionary models, their physical properties. We found that 40% of the clumps observed in Sp 1149 are older than 30 Myr and can be as old as 300 Myr. These are also the more massive (luminous) clumps in the galaxy. Among the complexes in the local reference sample, the star-forming knots in luminous blue compact galaxies could be considered progenitor analogs of these long-lived clumps. The remaining 60% of clumps have colors comparable to local cluster complexes, suggesting a similar young age. We observe that the Sp 1149 clumps follow the M{proportional_to}R {sup 2} relation similar to local cluster complexes, suggesting similar formation mechanisms although they may have different initial conditions (e.g., higher gas surface densities). We suggest that the galaxy is experiencing a slow decline in star formation rate and a likely transitional phase toward a more quiescent star formation mode. The older clumps have survived between 6 and 20 dynamical times and are all located at projected distances smaller than 4 kpc from the center. Their current location suggests migration toward the center and the possibility of being the building blocks of the bulge. On the other hand, the dynamical timescale of the younger clumps is significantly shorter, meaning that they are quite close to their birthplace. We show that the clumps of Sp 1149 may account for the expected metal-rich globular cluster population usually associated with the bulge and thick disk components of local spirals.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Final Report of a CRADA Between Pacific Northwest National Laboratory and Cummins, Incorporated (CRADA No.PNNL/283): “Enhanced High and Low Temperature Performance of NO x Reduction Catalyst Materials”

The NO x Storage-Reduction (NSR, also known as lean-NO x trap – LNT), is based upon the concept of storing NO x as nitrates over storage components, typically barium species, during a lean-burn operation cycle and then reducing the stored nitrates to N 2 during fuel-rich conditions over a precious metal catalyst [1]. NO x Selective Catalytic Reduction (SCR), on the other hand, is accomplished by deliberately introducing reductant urea into the engine exhaust to reduce NO x with the aid of a Cu(Fe)/zeolite catalyst [2]. These two technologies have been recognized as the most promising approaches for meeting stringent NO x emission standards for diesel vehicles within the Environmental Protection Agency’s (EPA’s) 2007/2010 mandated limits. For NSR, problems arising from either or both thermal and SO 2 deactivation must be addressed to meet durability standards. For SCR, SO 2 deactivation is less of an issue, but hydrothermal deactivation of the zeolite catalysts must be addressed. With continuing R&D efforts in advanced powertrains, highly novel operating modes for internal combustion engines (ICEs) are being researched in order to meet the very stringent new demands for fuel efficiency (e.g., U.S. ‘‘CAFE’’ standards for average miles/gallon are scheduled to increase dramatically over the next 10–15 years). These new ICE engine operation modes, while highly fuel-efficient, result in much lower exhaust temperatures than current engines; temperatures so low that it is hard to imagine how the current catalytic emission control technologies will be able to function. For example, while steady-state operation of the NO x reduction technology at 150 °C may be required, current ‘‘light-off’’ temperatures for CHA-based zeolite catalysts are closer to 200 °C. Therefore, understanding low-temperature limitations in NO x reduction has become one of the most daunting challenges in R&D on new catalyst materials and processes that can effectively eliminate emissions at these quite low exhaust temperatures. This project has two clear focuses: (1) development of potassium-based high-temperature NSR materials, and studying their key causes of deactivation and methods of regeneration. By comparing results obtained on ‘Simple Model’ Pt-K/Al 2 O 3 with ‘Enhanced Model’ Pt-K/ MgAlO x and Pt-K/TiO 2 materials, we have developed an understanding of the role of various additives on the deactivation and regeneration processes. Studies have also been performed on the real commercial samples being used in a Dodge Ram truck with a Cummins diesel emission control system. However, the results about these ‘commercial samples’ will not be covered in this report. Following a brief description of our experimental approach, we will present a few highlights from some of the work performed in this CRADA with more details about these results provided in publications/reports/presentations lists presented at the end of the report. (2) for the Cu and Fe/Chabazite SCR catalysts, since these are so newly developed and references from open literature and industry are nearly absent, our work started from zeolite synthesis and catalyst synthesis methodology development, before research on their low- and high-temperature performance, deactivation, regeneration, etc. was conducted. Again, most work reported here is based on our “model” catalysts synthesized in-house. Work done on the ‘commercial samples’ will not be covered in this report.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Full Spectrum, 350 - 2500 nm, Leaf and Canopy Spectral Reflectance, Seward Peninsula, Alaska, 2017

Full-range (350 - 2500 nm) leaf and canopy reflectance spectra of various Arctic tundra ecosystem endmembers, including species-level leaf reflectance, canopy-scale species endmember spectra, plot-scale spectra, and transect spectra as well as non-vegetated surface (NVS) spectra. The datasets were collected at the three core NGEE-Arctic watersheds, Kougarok, Teller, and Council within the larger Seward Peninsula, Alaska region. The data were collected in the months of July and August of 2017 using a full-range Spectra Vista Corporation (SVC) HR-1024i spectroradiometer. Leaf-level spectra were collected with the original SVC leaf clip/plant probe connected to the spectrometer through a 1.15 meter long fiber optic cable, while canopy-scale reflectance was collected with an 8-degree field-of-view (FOV) foreoptic lens. All spectral measurements were collected as calibrated surface radiance and converted to surface reflectance using a 99.99% reflective Spectralon white reference standard. For those canopy spectra collected with associated functional trait data, the FOV of the instrument was positioned to include the same leaves harvested for functional trait measurements, including leaf mass per area (LMA) and foliar carbon and nitrogen content (see associated dataset). This data package includes 26 files in a variety of formats including processed canopy and leaf spectra (*.csv), processed dGPS locations (*.csv and *.kmz), digital photographs of spectral targets (*.jpg) and raw data from spectroradiometer and dGPS instruments (compressed as tar.gz). Metadata files include data descriptions (_dd.csv) for tabular data and a key to species symbols used in data files. All included files are listed and described in NGA110_flmd.csv.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

First Muon Neutrino on Argon Cross Section Measurements With an Off-Axis Beam

While over ninety years have passed since neutrinos were first predicted in 1930 by Wolfgang Pauli, much about them is still unknown [20]. How many types of neutrinos there are, how precisely neutrinos change flavor, and how neutrinos interact with various types of matter are largely unanswered questions that have implications for fields beyond particle physics, such as cosmology and astrophysics. The final question can be answered partially by differential cross section measurements, two of which constitute the primary result of this thesis. The NeUtrinos at the Main Injector (NuMI) Beam at Fermilab in Batavia, IL provides a source of muon neutrinos and muon antineutrinos to the MicroBooNE experiment, an 85 ton liquid argon time projection chamber (LArTPC). The technology allows for high precision particle tracking and energy reconstruction that can be used to make cross section measurements. Necessary work for making these measurements for which the author of this thesis made an essential contribution is presented in detail in References [21] [22] [11] [23]. The measurement presented in this thesis is made with 2.187e20 Protons on Target (POT), the standard metric for an amount of beam exposure, of data when the beam was in forward horn current mode. Single-differential cross section measurements in terms of muon candidate kinetic energy and direction are made, and their statistical fits with simulation are 5.8 (12 d.o.f.) and 11.4 (10 d.o.f.), respectively. This indicates that the muon kinematics for muon neutrino and muon antineutrino charged-current (CC) events primarily in the energy range [0-3] GeV can be trusted for oscillation experiments, including DUNE, because of the agreement to within the associated systematic and statistical uncertainties between the measurement and the model in every bin of both single-differential cross sections. This result adds to the corresponding result for the Booster Neutrino Beam (BNB) because it covers a completely different energy region than that measurement, a double-differential cross section in terms of muon momentum and direction [14]. This result contributes to reducing the uncertainty in near-far event rate comparisons in long baseline neutrino experiments and also adds to existing knowledge of the neutrino-nucleus interaction by describing the outgoing muon kinematics in interactions of muon neutrinos and muon antineutrinos. This result is the first-ever measurement of differential cross sections of muon neutrinos and muon antineutrinos in liquid argon made with an off-axis beam.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

Numerical Simulation Applications in the Design of EGS Collab Experiment 1

The United States Department of Energy, Geothermal Technologies Office (GTO) is funding a collaborative investigation of enhanced geothermal systems (EGS) processes at the meso-scale. This study, referred to as the EGS Collab project, is a unique opportunity for scientists and engineers to investigate the creation of fracture networks and circulation of fluids across those networks under in-situ stress conditions. The EGS Collab project is envisioned to comprise three experiments and the site for the first experiment is on the 4850 Level (4,850 feet below ground surface) in phyllite of the Precambrian Poorman formation, at the Sanford Underground Research Facility, located at the former Homestake Gold Mine, in Lead, South Dakota. Principal objectives of the project are to develop a number of intermediate-scale field sites and to conduct well-controlled in situ experiments focused on rock fracture behavior and permeability enhancement. Data generated during these experiments will be compared against predictions of a suite of computer codes specifically designed to solve problems involving coupled thermal, hydrological, geomechanical, and geochemical processes. Comparisons between experimental and numerical simulation results will provide code developers with direction for improvements and verification of process models, build confidence in the suite of available numerical tools, and ultimately identify critical future development needs for the geothermal modeling community. Moreover, conducting thorough comparisons of models, modelling approaches, measurement approaches and measured data, via the EGS Collab project, will serve to identify techniques that are most likely to succeed at the Frontier Observatory for Research in Geothermal Energy (FORGE), the GTO's flagship EGS research effort. As noted, outcomes from the EGS Collab project experiments will serve as benchmarks for computer code verification, but numerical simulation additionally plays an essential role in designing these meso-scale experiments. This paper describes specific numerical simulations supporting the design of Experiment 1, a field test involving hydraulic stimulation of two fractures from notched sections of the injection borehole and fluid circulation between sub-horizontal injection and production boreholes in each fracture individually and collectively, including the circulation of chilled water. Whereas the mine drift allows for accurate and close placement of monitoring instrumentation to the developed fractures, active ventilation in the drift cooled the rock mass within the experimental volume. Numerical simulations were executed to predict seismic events and magnitudes during stimulation, initial fracture orientations for smooth horizontal wellbores, pressure requirements for fracture initiation from notched wellbores, fracture propagation during stimulation between the injection and production boreholes, tracer travel times between the injection and production boreholes, produced fluid temperatures with chilled water injections, pressure limits on fluid circulation to avoid fracture growth, temperature environment surrounding the 4850 Level drift, and fracture propagation within a stress field altered by drift excavation, ventilation cooling, and dewatering.

15 GEOTHERMAL ENERGY↗

DOE OSTI2024

"Traffic Control via Connected and Automated Vehicles: An Open-Road Field Experiment with 100 CAVs"

The CIRCLES project aims to reduce instabilities in traffic flow, which are naturally occurring phenomena due to human driving behavior. These "phantom jams" or "stop-and-go waves,"are a significant source of wasted energy. Toward this goal, the CIRCLES project designed a control system referred to as the MegaController by the CIRCLES team, that could be deployed in real traffic. Our field experiment leveraged a heterogeneous fleet of 100 longitudinally-controlled vehicles as Lagrangian traffic actuators, each of which ran a controller with the architecture described in this paper. The MegaController is a hierarchical control architecture, which consists of two main layers. The upper layer is called Speed Planner, and is a centralized optimal control algorithm. It assigns speed targets to the vehicles, conveyed through the LTE cellular network. The lower layer is a control layer, running on each vehicle. It performs local actuation by overriding the stock adaptive cruise controller, using the stock on-board sensors. The Speed Planner ingests live data feeds provided by third parties, as well as data from our own control vehicles, and uses both to perform the speed assignment. The architecture of the speed planner allows for modular use of standard control techniques, such as optimal control, model predictive control, kernel methods and others, including Deep RL, model predictive control and explicit controllers. Depending on the vehicle architecture, all onboard sensing data can be accessed by the local controllers, or only some. Control inputs vary across different automakers, with inputs ranging from torque or acceleration requests for some cars, and electronic selection of ACC set points in others. The proposed architecture allows for the combination of all possible settings proposed above. Most configurations were tested throughout the ramp up to the MegaVandertest.

Lee, Jonathan↗

DOE OSTI2019

NGEE Arctic Leaf Spectral Reflectance, Kougarok Road, Seward Peninsula, Alaska, 2016

Measurements of full-spectrum (i.e. 350-2500nm) leaf spectral reflectance of Arctic plant species. Data were collected along NGEE sites in the Seward Peninsula, Alaska during the 2016 period. Data collected to measure leaf-level spectral optical properties of Arctic plants to enable scaling. This dataset contains 1 zipped file, 1 csv file, 1 xlsx file, and 1 pdf file.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗