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At least 379 records · Page 21

Atomically Precise Manufacturing for 2D-Designed Materials

The primary purpose of this program was to develop atomically precise fabrication techniques for semiconductor systems that places dopant atoms in a single buried (100) atomic plane in silicon with near atomic precision to create unprecedented structures that can be used for a wide variety of quantum experiments, devices, and potentially designer quantum materials. The potential impacts on reducing industrial energy use are many: 1) optimized and more energy efficient industrial processes via more efficient computational approaches, 2) dramatically improved materials for industrial use including higher critical-temperature superconductors eliminating losses in electrical transmission, 3) the better understanding of quantum chemistry via Analog Quantum Simulation(AQS) in the near term and universal quantum computing in the longer term that will lead to new industrial processes with smaller or zero production of greenhouse gases.

36 MATERIALS SCIENCE↗

Seismic strain energy partitioning: estimating the strain energy of seismic body waves.

This report details a method to estimate the energy content of various types of seismic body waves. The method is based on the strain energy of an elastic wavefield and Hooke’s Law. We present a detailed derivation of a set of equations that explicitly partition the seismic strain energy into two parts: one for compressional (P) waves and one for shear (S) waves. We posit that the ratio of these two quantities can be used to determine the relative contribution of seismic P and S waves, possibly as a method to discriminate between earthquakes and buried explosions. We demonstrate the efficacy of our method by using it to compute the strain energy of synthetic seismograms with differing source characteristics. Specifically, we find that explosion-generated seismograms contain a preponderance of P wave strain energy when compared to earthquake-generated synthetic seismograms. Conversely, earthquake-generated synthetic seismograms contain a much greater degree of S wave strain energy when compared to explosion-generated seismograms.

58 GEOSCIENCES↗

The Institute for Advanced Composites Manufacturing and Innovation Circular Economy for Wind Workshop Report

Wind turbine blade waste is anticipated to amount to approximately 2.2 million tons or more by 2050 (more than the equivalent weight of 6 empire state buildings). However, no existing recycling technologies for the composites in wind turbines are currently at cost-parity with landfilling. As such, there is little industrial drive to recycle these materials, so they are currently buried. If it were possible to develop a circular economy for wind blades it could directly reduce material feedstock costs for many composites industries, facilitate the tremendous, anticipated growth of the domestic off-shore wind energy sector, and help the U.S. achieve net-zero manufacturing and energy generation. However, to enable circular economies for wind blades, several questions need to be answered.

17 WIND ENERGY↗

Unraveling the Wrinkle in Time-Variable Sources with Lunes and Synthetic Seismic Data

In this report, we describe how to estimate the time-variable components of the seismic moment tensor and compare these estimates to the more conventional analysis that incorporates an assumption of the source time function (STF) across all components of the seismic moment tensor. The advantage of our method is that we are able to independently estimate the time-evolution of each component of the seismic moment tensor, which may help to resolve the complex source phenomena associated with buried explosions. By performing an eigen decomposition of the time-evolving seismic moment tensor components, we are able to plot the seismic mechanism as a trajectory on a lune diagram. This technique enables interpretation of the seismic mechanism as a function of time, as opposed to the more conventional analysis which assumes that the seismic mechanism is time invariant. Finally, we describe the differences between the seismic moment and the seismic moment rate STFs, how to implement each one in inversion schemes, and the relative strengths/weaknesses of each. Our key take-away is that we are able to distinguish nearly-overlapping sources with highly different mechanisms, such as an explosion immediately following an earthquake, by estimating moment rate from seismic data through a STF-invariant inversion for the full time-variable moment tensor.

58 GEOSCIENCES↗

Holiday Cooking: Make something from this historic Los Alamos cookbook and tell us about it!

Third Lab Director Harold Agnew’s barbecue sauce. Applesauce meatballs from the wife of Nobel laureate Frederick Reines. Two different recipes for chopped liver. And dozens more for soups, salads, meats, breads, desserts, drinks – plus a big taste of the past. What’s Cooking was published in Los Alamos in 1955 and recently discovered in a used bookstore in Santa Fe by Lab physicist Roseanne Cheng. “It was buried and on a forgotten shelf,” Cheng said. “I started flipping through it and I couldn’t believe all the (recognizable) names inside.” The wives of Lab staff, including prominent scientists, and Los Alamos community members had submitted recipes to the Los Alamos Chapter of Hadassah, which compiled them and printed the book.

99 GENERAL AND MISCELLANEOUS↗

Novel Chalcopyrites for Advanced Photoelectrochemical Water Splitting

With the support of DoE’s EERE office, our team has established a unique tool-chest of capabilities, including theoretical modeling (Lawrence Livermore National Laboratory: LLNL), state-of-the-art synthesis (Hawaii Natural Energy Institute: HNEI, Stanford, and the National Renewable Energy Laboratory: NREL) and advanced materials and interfaces characterization (University of Nevada, Las Vegas: UNLV, and Lawrence Berkeley National Laboratory: LBNL), to accelerate the development of high efficiency and durable chalcopyrite materials for advanced photoelectrochemical (PEC) water splitting. Using this synergistic approach, we have successfully created new wide bandgap chalcopyrite photocathodes generating over 10 mA/cm 2 , developed innovative strategies to protect them from corrosion, and engineered novel integration methods to circumvent thin film materials mechanical, chemical and thermal incompatibility. In Task 1 “Modeling and synthesis of chalcopyrite photocathodes”, we expanded our library of wide bandgap chalcopyrites for PEC water splitting. With support from LLNL’s “Computational Materials Diagnostics and Optimization of PEC Devices”, LBNL’s “photophysical” and NREL’s “I-III-VI Compound Semiconductors for Water-Splitting” nodes, we investigated two new chalcopyrite candidates for PEC water splitting: Cu(In,Al)Se 2 and Cu(In,B)Se 2 . We also further developed ordered vacancy compounds, such as CuGa 3 Se 5 , with unprecedented durability during PEC waters splitting in acidic solutions. In Task 2 “Interfaces engineering for enhanced efficiency and durability”, we addressed both the non-ideal band-edge positions of chalcopyrites with respect to water redox potentials, as well as their chemical instability under PEC water splitting, with a buried-junctions approach. With help from NREL’s “High-Throughput Experimental Thin Film Combinatorial Capabilities” and “Corrosion Analysis of Materials” nodes, we engineered environmentally friendly n-type buffers, including Mn x Zn 1-x O, to adjust the chalcopyrite band-edge positions and achieved photovoltages as high as 925 mV. Also, we integrated non-precious catalytic-protecting layers, such as WO 3 , to enhance the water splitting long-term stability of chalcopyrite absorbers. Finally, in Task 3 “Hybrid photoelectrode device integration”, we proposed an innovative method to bond wide bandgap photocathodes onto narrow bandgap PV drivers at room temperature using conductive polymers. Our semi-monolithic approach addressed fundamental processing incompatibility issues, as both the photocathode and the PV driver are processed separately. Proof-of-concept whole-chalcopyrite tandems were obtained by consecutive exfoliation and transfer of fully integrated 1.85 eV CuGa 3 Se 5 and 1.13 eV CuInGaSe 2 stacks from their Mo/SLG substrates onto a new single FTO host substrate.

08 HYDROGEN↗

Performance Assessment for the E-Area Low-Level Radioactive Waste Disposal Facility at the Savannah River Site: Appendix D

This appendix to Chapter 5, Section 5.1 provides supplemental concentration profiles for radionuclide species in STs and ETs that contribute to at least 0.1% of the sum-of-fractions. All concentrations are reported as pCi L -1 per Ci parent buried. The following nomenclature is used for all radionuclides in all DUs: an uppercase letter suffix indicates a SWF (e.g., I-129G, C-14N, H-3F, etc.), while the absence of an uppercase letter denotes a generic waste form (e.g., I-129, C-14, H-3, etc.).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Performance Assessment for the E-Area Low-Level Radioactive Waste Disposal Facility at the Savannah River Site: Appendix E

Supplemental transport model results for the LAWV from Chapter 5, Section 5.2.2 are provided in Section E.1.1 to compare concentrations at the 100-meter POA for the nominal PA case, best estimate case, and various sensitivity cases (Figure E-1 through Figure E-12). Second, Figure E-13 through Figure E-30 in Section E.1.2 display concentrations at the 100-meter POA for decay-chain daughter and parent radionuclides. Third, Figure E-31 through Figure E-34 in Section E.1.3 show maximum concentration contours for I-129. Only contour plots for I-129 from the remaining sensitivity runs are shown because I-129 is identified as the only radionuclide that impacts disposal limits for the LAWV. All concentration units, whether noted or not in the y-axis labels, are pCi L-1 per Ci parent buried.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Corrective Action Decision Document/Corrective Action Plan for Corrective Action Unit 577: Area 5 Chromium Containing Waste Disposal Cells, Nevada National Security Site, Nevada

This Corrective Action Decision Document/Corrective Action Plan (CADD/CAP) is for Corrective Action Unit (CAU) 577, “Area 5 Chromium Containing Waste Disposal Cells,” which is located in Area 5 of the Nevada National Security Site (NNSS). CAU 577 includes five low-level waste cells at the Area 5 Radioactive Waste Management Site (RWMS) where buried waste received from Nuclear Fuel Services, Inc. (NFS), was subsequently determined to contain chromium that exceeded the Toxicity Characteristic Leaching Procedure regulatory limit, which would require the waste to carry hazardous waste code D007. To resolve issues related to this alleged violation of hazardous waste regulations, a Settlement Agreement was executed between the Nevada Division of Environmental Protection (NDEP) and the U.S. Department of Energy, National Nuclear Security Administration Nevada Field Office on April 25, 2019, which identified agreed-upon mitigation measures. The Settlement Agreement required that the chromium-containing waste received from NFS would be addressed following the closure process laid out in the Federal Facility Agreement and Consent Order (FFACO).

54 ENVIRONMENTAL SCIENCES↗

Coastal Wetland Carbon Processes in a Warmer Climate (Final Report)

Coastal wetlands are global hotspots of carbon storage. Marshes, mangroves, and seagrass meadows account for about half of the total marine soil carbon budget and bury carbon at rates roughly equivalent to terrestrial forests despite occupying just 2.5% of Earth’s land area. Coastal wetlands have recently been recognized as important for storing carbon, but the future sink strength and carbon stock stability of these systems is uncertain because global change drivers such as temperature and elevated CO 2 disturb the complex ecology that drives high rates of soil carbon sequestration. The dynamics of coastal wetland carbon pools are not presently represented in earth system models. Our goals are to understand the influence of warming and elevated CO 2 on C cycling and to forecast the stability of tidal wetland soil carbon pools at the terrestrial-aquatic interface. We designed and implemented a novel field manipulation of elevated CO 2 and temperature and operated it from 2016 to 2020. We learned that plant communities and microbial communities respond differently to rising temperature, and that the net effects of these responses means that a modest amount of warming will increase tidal marsh carbon sequestration, while warming above that level will diminish the potential for additional carbon sequestration. In mathematical terms the system showed non-linear responses which are important for building forecast models.

54 ENVIRONMENTAL SCIENCES↗

Back-Azimuth Estimation of Air-to-Ground Coupled Infrasound from Transverse Coherence Minimization [Slides]

Infrasonic signals are generated by a variety of natural and anthropogenic sources and can propagate long distances through a windy, layered atmosphere. When these signals impinge on the ground, the resulting deformation can be recorded by buried seismometers, we call this signal a ground coupled airwave (GCA). GCAs are relatively common, and several methods now exist to leverage an infrasound microphone to separate GCAs from pure seismic motion.

47 OTHER INSTRUMENTATION↗

Computational Analysis of Hydraulic Capacity of Ohio DOT Catch Basin No. 6 in On-Grade and Sag Locations

Stormwater runoff from streets and highways is typically captured by drainage structures strategically placed when roadways use curb or curb and gutter systems. These structures include catch basins with grates, inlets, or combination grates/inlets that collect and discharge storm water runoff to buried pipe conveyance systems. The performance of these drainage structures is measured in terms of hydraulic efficiency, which is defined as the percentage of flow captured by the basin as compared to the total flow draining to the structure. Understanding the performance of these drainage structures allows for a safe and economical design which prevents flooding along Ohio roadways.

42 ENGINEERING↗

Computational Analysis of Hydraulic Efficiency of Michigan DOT Cover C

Drainage structures are used to capture stormwater runoff in streets and highways in urban environments. These drainage structures, which typically consist of catch basins with grates, inlets, or combination grates/inlets, collect stormwater runoff and discharge through buried conveyance systems. They are strategically placed for public safety in curb and gutter systems to provide efficient drainage of water from roadways and thus reduce the risk of hydroplaning. The performance of drainage structures is measured in terms of hydraulic efficiency, which is defined as the percentage of flow captured by the basin as compared to the total flow drainage to the structure. Understanding of the performance of these drainage structures helps designers properly space inlets to promote an economic design that ensures the safety of the traveling public. The current design methodology used to determine drainage structure follows guidelines established in the current Michigan Department of Transportation (MDOT) Drainage Manual (2006). The guidelines in the MDOT Drainage Manual were modeled after the Federal Highway Administration’s (FHWA) Hydraulic Engineering Circular 22 “Urban Drainage Design” (HEC-22). HEC-22 includes empirically derived equations to calculate the interception capacity of drainage structures for several commonly used grate configurations, such as the parallel bar, curved vane and tilt bar grates, which are based on a research study performed by Burgi et al. in the 1970s. MDOT uses several drainage structures to capture runoff that are detailed as Standard Plans. Many of these drainage structures utilize sinusoidal type grates that are not described in HEC-22. Physical modeling of these structures has been limited, posing the need to have them analyzed to verify their capture efficiency. Current MDOT practice is to assume a similar sized reticuline grate, as described in HEC-22, for capture efficiencies. Until recently, evaluating the hydraulic performance of drainage structures was limited to physical modeling in a hydraulics laboratory. With advances in engineering software and computing power, computational fluid dynamics (CFD) modeling has become a more cost-effective alternative. The Federal Highway Administration (FHWA) provides states the option to evaluate their drainage structures using CFD through the Transportation Pooled Fund Program. This study, “Computational Analysis of Hydraulic Efficiency of Michigan DOT Cover C,” was carried out using the pooled fund. MDOT’s Cover C was chosen as the first test candidate, given its similar sinusoidal pattern to other MDOT grates, but it is typically used for high-volume, higher speed applications. A similar version, Cover CX, is used on interstate highways but does not have traverse bars for bicycle safety. Additional grates may be considered for evaluation in the future.

42 ENGINEERING↗

Atomically Precise Ultra-High Performance 2D MicroElectronics

Zyvex Labs has created several p-n junction devices with a variety of gaps between the boron and phosphorus electrodes, from 0-7.7 nm, which are now being measured. We have developed a different contacting process based on palladium disilicide rather than aluminium to improve the reliability of the device contacts. Preliminary measurements indicate that these new contacts are successfully contacting the buried dopant layers, which are intact after the overgrowth process. Modelling of the p-n junction properties has made good progress, with the model matching previous published data, and modelling of n-p-n junction devices has begun. This now awaits experimental validation.

47 OTHER INSTRUMENTATION↗

Curating Carbon Storage Data for Reuse: Enabling Research and Modeling from Earth’s Surface to Subsurface

The volume of public geologic carbon storage (GCS) data resources has continued to increase in recent years as the result of an increase in funding from government, industry, and academia towards national, basin, regional and field scale studies to ensure carbon capture and storage becomes a commercially viable operation. Despite the increasing volume of data, GCS data applied towards analyses such as geologic, cost, and risk modeling continues to be multi-sourced and often disparate in nature, published across government agencies, websites, data repositories and buried in derivative reports and documents. Much of the time preparing for an analysis and derivative product development is spent collecting, aggregating, transforming and preparing input data. There have been significant efforts within the DOE National Energy Technology Laboratory’s Carbon Storage Program to optimize multi-source, multi-scale subsurface geologic data curation and aggregation to support data discovery, interoperability, and reuse. Methods include the use of artificial intelligence, machine learning, and data science techniques. This talk will discuss the workflows, best practices, and processes developed to support the aggregation and curation of data through the whole system – surface to subsurface data - that support multi-scale, multi-purpose analysis for carbon storage research.

Morkner, Paige↗

Idaho National Laboratory Integrated Multisite SSHAC Level 3: Probabilistic Volcanic Hazards Assessment

The Idaho National Laboratory (INL) resides on the eastern Snake River Plain (ESRP), part of the Snake River Plain (SRP) with a complex origin and geologic history of volcanism. Much of the Quaternary (last 2.58 million years) volcanism within 400 km of INL is genetically associated with a major thermal anomaly referred to as the Yellowstone hotspot, which is currently located more than 180 km northeast of INL. Near INL, local volcanic sources include silicic domes near its southern border, and numerous dike-fed basaltic vents of the ESRP, some of which are near or within the INL boundaries. Quantitative probabilistic assessments of screened-in volcanic hazardous phenomena for nine different facility complexes at the INL are presented for a Senior Seismic Hazard Analysis Committee (SSHAC) Level 3 (SL3) study. The comprehensive, integrated multisite SSHAC study consists of a single regional Probabilistic Volcanic Hazards Assessment (PVHA) that pertains to all nine INL facility complexes, with site-specific information developed at each respective area of interest (AOI), referred to as the "INL facility AOI" (Figure ES-1). Hazard products are generated for specified INL facility AOIs for use by multiple stakeholders from different agencies in risk-informed decision-making regarding site selection, operations, and design of nuclear facilities at INL, consistent with U.S. Department of Energy (DOE) and U.S. Nuclear Regulatory Commission (NRC) regulatory guidance. The study also serves as the basis for future periodic safety assessments required for existing DOE facilities, such as 10-year evaluations of natural-phenomena hazards. Elements of the INL PVHA including initial characterization, screening, quantitative assessments of eruption and hazard potential, and consideration of facility needs are conducted using the three phases of the SSHAC process: evaluation, integration, and documentation. As per regulatory guidance, the SSHAC framework provided the necessary processes and procedures for the PVHA Technical Integration (TI) team, at three workshops, five formal working meetings and many TI team remote meetings, to conduct initial characterization, screen the volcanic hazards, create PVHA model inputs, exercise those models in the PVHA, consider facility-specific volcanic hazard needs, and perform final hazard calculations. The Participatory Peer Review Panel (PPRP) provided independent oversight and performed process and technical reviews of the PVHA throughout its duration. The study included an extensive New Data Collection and Analyses (NDCA) program developed by the PVHA TI team to reduce uncertainties in hazard-significant elements in the PVHA model. NDCA activities generated 20 reports providing important contributory datasets and results to the project database for characterizing the ESRP. For example, a report compiling the dimensions of ESRP shield volcanoes and lava fields was used to construct volcanic footprints (areas of impact), was compared with data from INL subsurface cores, and was used to validate the results of lava-flow inundation modeling on the contemporary terrain. Another example is the acquisition of aeromagnetic data over INL and its surrounding area, with maps of buried magmatic features (e.g., subsurface volcanoes and swarms of feeder dikes) that informed the PVHA conceptual model of volcanism. The SSHAC evaluation process was used to conduct all elements of the PVHA including initial characterization and screening. Existing data and NDCA activities provided the foundation to develop the tectonomagmatic conceptual model of volcanism for the region of geographical interest in the SRP and Yellowstone hotspot volcanic system, and for considering volcanoes in the western US. Considering Quaternary volcanic sources active during this period, the screening approach identified and evaluated magma compositions, types of eruptive and intrusive phenomena, types of hazardous phenomena, and proximity of sources to INL. The PVHA TI team evaluated 18 types of magmatic sources in terms of 20 potentially hazardous phenomena, resulting in 360 screening decisions. The screening process resulted in 140 screened-in hazardous volcanic phenomena for Quaternary volcanic sources 1) proximal to INL facility complexes in the ESRP (64 basaltic and 54 silicic), 2) regional sources associated with the Yellowstone caldera system and Blackfoot Reservoir volcanic field (7), and 3) more distal sources from thirteen Cascade volcanoes and two volcanoes at Long Valley caldera (CA).

58 GEOSCIENCES↗

Towards Online Machine Learning in DUNE Data Acquisition

Processing the large volumes of data produced by liquid argon time projection chamber (LArTPC) experiments presents a significant challenge, especially those at the scale of DUNE. This is a particular challenge when aiming to trigger on low-energy neutrinos from core-collapse supernovae, which are typically buried in a high-rate radiological background. To enable real-time event selection suitable for such rare signals, we are developing machine learning based data filtering methods. In order to demonstrate the feasibility of this approach, we implemented such pipeline using the ICEBERG detector at Fermilab as a small-scale LArTPC, with a focus on identifying Michel electrons as a proxy for low-energy neutrino interactions. This poster will present the current status of integrating these machine learning models into the data acquisition (DAQ) system of this detector.

Dalager, Olivia [Fermilab]↗

Computational Analysis of Hydraulic Efficiency of Michigan DOT Covers J and K

Drainage structures are used in urban street and highway systems to capture stormwater runoff. These structures typically consist of catch basins fitted with grates, inlets, or combination grate/inlet configurations that collect runoff and convey it through buried drainage systems. They are strategically placed within curb-and-gutter systems to enhance public safety by efficiently removing water from roadways and thereby reducing the risk of hydroplaning. The performance of drainage structures is commonly evaluated in terms of hydraulic efficiency, defined as the percentage of flow captured by the basin relative to the total flow reaching the structure. Understanding the hydraulic performance of these structures allows designers to properly space inlets, resulting in cost-effective designs that also help ensure the safety of the traveling public. MDOT uses a variety of drainage structures for runoff capture, as documented in Michigan Department of Transportation (MDOT) Drainage Manual. Many of these structures incorporate sinusoidal-type grates that are not addressed in HEC-22. Because physical modeling of these structures has been limited, further analysis is needed to verify their capture efficiency. Under current MDOT practice, the capture efficiency of these grates is estimated by assuming performance similar to that of a comparably sized reticuline grate described in HEC22. The first phase of this effort, titled Computational Analysis of Hydraulic Efficiency of Michigan DOT Cover C, focused on evaluating the hydraulic performance of MDOT’s Cover C grate. Cover C was selected as the initial test candidate because its sinusoidal pattern is representative of other MDOT grates, while it is typically used in high-volume, higher-speed applications. A similar version, Cover CX, is used on interstate highways but does not include transverse bars for bicycle safety. The current second phase of the study expands this work to evaluate MDOT’s Covers J and K. These grates were selected for additional analysis to further assess the hydraulic performance of MDOT drainage structures that are not directly represented by grate configurations in HEC-22. The results of this phase will build on the findings from the Cover C analysis and support improved understanding of the capture efficiency of MDOT’s standard drainage grates. This report is intended to serve as a companion document to the earlier study, Computational Analysis of Hydraulic Efficiency of Michigan DOT Cover C [3]. The present work applies the same overall CFD-based evaluation approach to MDOT Covers J and K and compares the resulting performance trends with those previously identified for Cover C. In particular, both studies assess on-grade interception efficiency, sag-location hydraulic capacity, and the effects of partial obstruction relative to HEC-22-based design estimates.

42 ENGINEERING↗