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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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Fundamental Advancements in Pre-Chamber Spark Ignition and Emissions Control for Natural Gas Engines

Argonne National Laboratory, the National Renewable Energy Laboratory, Oak Ridge National Laboratory, and Sandia National Laboratories collaborated on research to address barriers for natural gas engine efficiency. This research project focuses on early stage research focusing on pre-chamber spark-ignition (PCSI) to achieve diesel-like efficiency in medium- and heavy-duty natural gas engines by extending the lean dilution limit and/or exhaust gas recirculation (EGR) dilution limit, as well as shortening burn duration, with integrated aftertreatment. This project integrates experimental and simulation based tasks to address four key barriers to market penetration of PCSI for medium- and heavy-duty natural gas engines. These include Inadequate science base and simulation tools to describe/predict the fluid-mechanical and chemical-kinetic processes governing PCSI to enable engineers in industry to optimize designs for efficiency, noise, reliability, pollutant formation, emissions control integration, and drivability; limited ability to extend EGR and/or lean dilution limits at higher loads; increased propensity for PCSI hot-spot pre-ignition at high loads relative to spark ignition; and ineffective methane catalysts for the high engine-out unburned fuel concentrations coupled with low exhaust temperatures (<<400 degrees C) of high efficiency engines.

33 ADVANCED PROPULSION SYSTEMS↗

First results of the KM3NeT multi-PMT DOM

The future KM3NeT neutrino telescope will consist of several thousand digital optical modules (DOMs), each of which will be equipped with 31 3-inch photo-multiplier tubes (PMTs). This design has various advantages over the use of one large PMT per optical module, e.g. concerning effective photocathode area per module, improved background suppression and directional reconstruction. Currently, the KM3NeT collaboration is testing a prototype DOM deployed on the instrumentation line of the ANTARES neutrino telescope. The DOM has been operational since mid-April 2013. First data are presented and compared to simulation results. The results are very encouraging and indicate that muon identification and a coarse direction estimation are possible event with a single DOM.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Disease Ontology 2015 update: An expanded and updated database of human diseases for linking biomedical knowledge through disease data

The current version of the Human Disease Ontology (DO) (http://www.disease-ontology.org) database expands the utility of the ontology for the examination and comparison of genetic variation, phenotype, protein, drug and epitope data through the lens of human disease. DO is a biomedical resource of standardized common and rare disease concepts with stable identifiers organized by disease etiology. The content of DO has had 192 revisions since 2012, including the addition of 760 terms. Thirty-two percent of all terms now include definitions. DO has expanded the number and diversity of research communities and community members by 50+ during the past two years. These community members actively submit term requests, coordinate biomedical resource disease representation and provide expert curation guidance. Since the DO 2012 NAR paper, there have been hundreds of term requests and a steady increase in the number of DO listserv members, twitter followers and DO website usage. DO is moving to a multi-editor model utilizing Protégé to curate DO in web ontology language. In conclusion, this will enable closer collaboration with the Human Phenotype Ontology, EBI's Ontology Working Group, Mouse Genome Informatics and the Monarch Initiative among others, and enhance DO's current asserted view and multiple inferred views through reasoning.

59 BASIC BIOLOGICAL SCIENCES↗

Collaborative Research and Development by EpiSolar and NREL of Processes and Materials for Flexible CdS/CdTe Superstrate Devices: Cooperative Research and Development Final Report, CRADA Number CRD-14-550

The objective of this work is to collaborate with EpiSolar to develop and test processes that are consistent with the goals and milestones of an NREL FPace1 (Foundational Program to Advance Cell Efficiency) project entitled 'High-Temperature, Roll-to-Roll (RTR) CdTe Superstrate Devices Using Flexible Glass.' The primary milestone for this CRADA relates to demonstration of a 15% efficient laboratory device.

14 SOLAR ENERGY↗

2016 Billion-Ton Report: Environmental Sustainability Effects of Select Scenarios from Volume 1 (Volume 2)

On behalf of all the authors and contributors, it is a great privilege to present the 2016 Billion-Ton Report (BT16), volume 2: Environmental Sustainability Effects of Select Scenarios from volume 1. This report represents the culmination of several years of collaborative effort among national laboratories, government agencies, academic institutions, and industry. BT16 was developed to support the U.S. Department of Energy’s efforts towards national goals of energy security and associated quality of life.

2016 Billion-Ton Report Volume 2 Environmental Sus↗

Simulating Properties of Metal Powder Beds Used for Additive Manufacturing of Parts in Semiconductor, Solar and Display Equipment (CRADA TC02261 Final Report)

This was a collaborative effort between Lawrence Livermore National Security, LLC as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Applied Materials, Inc. to adapt and utilize LLNL-developed particle-scale simulation models to investigate and improve powder-bed formation for additive manufacturing of parts of interest to Participant in semiconductor, solar and display equipment.

36 MATERIALS SCIENCE↗

2021 GeoAI Workshop Report: The Trillion Pixel Challenge

The convergence of geospatial big data with advancements from artificial intelligence, cloud infrastructure, and high-performance computing continues to revolutionize mapping and analysis of Earth's surface in unprecedented detail. Rapid innovations in sensing technologies will soon collect geospatial data in even higher resolution and throughput. These developments offer the potential for breakthroughs in science, policy, and national security via end-to-end GeoAI systems that can provide fresh insights into how humans occupy and alter their environment over time. At the 2021 GeoAI Trillion Pixel workshop, international subject matter experts from government, academia, industry, and nonprofit organizations gathered virtually to discuss the Trillion Pixel GeoAI Challenge. The event focused on six major themes currently influencing scientific innovation and breakthroughs. Particular focus was paid to societal impacts. As an additional takeaway message, the gathering identified remaining application gaps and challenges that are in need of stronger community partnerships and collaborations.

58 GEOSCIENCES↗

University of Wisconsin-Madison Campus-Wide Deep Dive

In June 2019, staff members from the Engagement and Performance Operations Center (EPOC) and the University of Wisconsin–Madison Division of Information Technology (UW DoIT) met with researchers for the purpose of a Campus-Wide Deep Dive. The goal of this meeting was to help characterize the requirements for a number of research and educational activities, and to enable cyberinfrastructure support staff to better understand the needs of researchers. Material for this event includes both the written documentation from nine projects, and the campus technology organization, but also a writeup of the discussion that took place in person. The Case Studies highlighted the ongoing challenges that the University of Wisconsin–Madison will face in the coming years to support, encourage, and grow several emerging and established use cases. The University of Wisconsin–Madison received an NSF award to help support upgrading the campus network in 2012, specifically to include a Science DMZ and monitoring equipment. However, there is a currently identified need to refresh equipment and identify and work more closely with current campus researchers. Updates to the state network, as well as the campus, are being planned and were discussed during this event. As part of the overall review, the necessity of working more closely with research teams as they are still in the planning phase was discussed so that DoIT can better understand and adapt to changes in requirements as the research demands grow over time . Additional challenges with securing sensitive data, cybersecurity, and supporting collaborations were also discussed.

97 MATHEMATICS AND COMPUTING↗

OpenMSI: A High-Performance Web-Based Platform for Mass Spectrometry Imaging

Mass spectrometry imaging (MSI) enables researchers to directly probe endogenous molecules directly within the architecture of the biological matrix. Unfortunately, efficient access, management, and analysis of the data generated by MSI approaches remain major challenges to this rapidly developing field. Despite the availability of numerous dedicated file formats and software packages, it is a widely held viewpoint that the biggest challenge is simply opening, sharing, and analyzing a file without loss of information. Here we present OpenMSI, a software framework and platform that addresses these challenges via an advanced, high-performance, extensible file format and Web API for remote data access (http://openmsi.nersc.gov). The OpenMSI file format supports storage of raw MSI data, metadata, and derived analyses in a single, self-describing format based on HDF5 and is supported by a large range of analysis software (e.g., Matlab and R) and programming languages (e.g., C++, Fortran, and Python). Careful optimization of the storage layout of MSI data sets using chunking, compression, and data replication accelerates common, selective data access operations while minimizing data storage requirements and are critical enablers of rapid data I/O. The OpenMSI file format has shown to provide >2000-fold improvement for image access operations, enabling spectrum and image retrieval in less than 0.3 s across the Internet even for 50 GB MSI data sets. To make remote high-performance compute resources accessible for analysis and to facilitate data sharing and collaboration, we describe an easy-to-use yet powerful Web API, enabling fast and convenient access to MSI data, metadata, and derived analysis results stored remotely to facilitate high-performance data analysis and enable implementation of Web based data sharing, visualization, and analysis.

59 BASIC BIOLOGICAL SCIENCES↗

TU-CD-304-03: Dosimetric Verification and Preliminary Comparison of Dynamic Wave Arc for SBRT Treatments

Purpose: To evaluate the potential dosimetric benefits and verify the delivery accuracy of Dynamic Wave Arc, a novel treatment delivery approach for the Vero SBRT system. Methods: Dynamic Wave Arc (DWA) combines simultaneous movement of gantry/ring with inverse planning optimization, resulting in an uninterrupted non-coplanar arc delivery technique. Thirteen SBRT complex cases previously treated with 8–10 conformal static beams (CRT) were evaluated in this study. Eight primary centrally-located NSCLC (prescription dose 4×12Gy or 8×7.5Gy) and five oligometastatic cases (2×2 lesions, 10×5Gy) were selected. DWA and coplanar VMAT plans, partially with dual arcs, were generated for each patient using identical objective functions for target volumes and OARs on the same TPS (RayStation, RaySearch Laboratories). Dosimetric differences and delivery time among these three planning schemes were evaluated. The DWA delivery accuracy was assessed using the Delta4 diode array phantom (ScandiDos AB). The gamma analysis was performed with the 3%/3mm dose and distance-to-agreement criteria. Results: The target conformity for CRT, VMAT and DWA were 0.95±0.07, 0.96±0.04 and 0.97±0.04, while the low dose spillage gradient were 5.52±1.36, 5.44±1.11, and 5.09±0.98 respectively. Overall, the bronchus, esophagus and spinal cord maximum doses were similar between VMAT and DWA, but highly reduced compared with CRT. For the lung cases, the mean dose and V20Gy were lower for the arc techniques compares with CRT, while for the liver cases, the mean dose and the V30Gy presented slightly higher values. The average delivery time of VMAT and DWA were 2.46±1.10 min and 4.25±1.67 min, VMAT presenting shorter treatment time in all cases. The DWA dosimetric verification presented an average gamma index passing rate of 95.73±1.54% (range 94.2%–99.8%). Conclusion: Our preliminary data indicated that the DWA is deliverable with clinically acceptable accuracy and has the potential to further improve the plan quality. This collaborative work was supported by the Flemish government through the Hercules foundation and corporate funding from BrainLab AG. The first and the sixth author are financially supported by Brainlab AG. The other authors have no conflict of interest.

60 APPLIED LIFE SCIENCES↗

Reproducibility and Replication of Experimental Particle Physics Results

Recently, much attention has been focused on the replicability of scientific results, causing scientists, statisticians, and journal editors to examine closely their methodologies and publishing criteria. Experimental particle physicists have been aware of the precursors of non-replicable research for many decades and have many safeguards to ensure that the published results are as reliable as possible. The experiments require large investments of time and effort to design, construct, and operate. Large collaborations produce and check the results, and many papers are signed by more than three thousand authors. This paper gives an introduction to what experimental particle physics is and to some of the tools that are used to analyze the data. It describes the procedures used to ensure that results can be computationally reproduced, both by collaborators and by non-collaborators. It describes the status of publicly available data sets and analysis tools that aid in reproduction and recasting of experimental results. It also describes methods particle physicists use to maximize the reliability of the results, which increases the probability that they can be replicated by other collaborations or even the same collaborations with more data and new personnel. Examples of results that were later found to be false are given, both with failed replication attempts and one with alarmingly successful replications. While some of the characteristics of particle physics experiments are unique, many of the procedures and techniques can be and are used in other fields.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

IMPACTS OF INTERACTING ELEVATED ATMOSPHERIC CO2 AND O3 ON THE STRUCTURE AND FUNCTIONING OF A NORTHERN FOREST ECOSYSTEM: OPERATING AND DECOMMISSIONING THE ASPEN FACE PROJECT

Two of the most important and pervasive greenhouse gases driving global change and impacting forests in the U.S. and around the world are atmospheric CO2 and tropospheric O3. As the only free air, large-scale manipulative experiment studying the interaction of elevated CO2 and O3 on forests, the Aspen FACE experiment was uniquely designed to address the long-term ecosystem level impacts of these two greenhouse gases on aspen-birch-maple forests, which dominate the richly forested Lake States region. The project was established in 1997 to address the overarching scientific question: “What are the effects of elevated [CO2] and [O3], alone and in combination, on the structure and functioning of northern hardwood forest ecosystems?” From 1998 through the middle of the 2009 growing season, we examined the interacting effects of elevated CO2 and O3 on ecosystem processes in an aggrading northern forest ecosystem to compare the responses of early-successional, rapid-growing shade intolerant trembling aspen and paper birch to those of a late successional, slower growing shade tolerant sugar maple. Fumigations with elevated CO2 (560 ppm during daylight hours) and O3 (approximately 1.5 x ambient) were conducted during the growing season from 1998 to 2008, and in 2009 through harvest date. Response variables quantified during the experiment included growth, competitive interactions and stand dynamics, physiological processes, plant nutrient status and uptake, tissue biochemistry, litter quality and decomposition rates, hydrology, soil respiration, microbial community composition and respiration, VOC production, treatment-pest interactions, and treatment-phenology interactions. In 2009, we conducted a detailed harvest of the site. The harvest included detailed sampling of a subset of trees by component (leaves and buds, fine branches, coarse branches and stem, coarse roots, fine roots) and excavation of soil to a depth of 1 m. Throughout the experiment, aspen and birch photosynthesis increased with elevated CO2 and tended to decrease with elevated O3, compared to the control. In contrast to aspen and birch, maple photosynthesis was not enhanced by elevated CO2. Elevated O3 did not cause significant reductions in maximum photosynthesis in birch or maple. In addition, photosynthesis in ozone sensitive clones was affected to a much greater degree than that in ozone tolerant aspen clones. Treatment effects on photosynthesis contributed to CO2 stimulation of aboveground and belowground growth that was species and genotype dependent, with birch and aspen being most responsive and maple being least responsive. The positive effects of elevated CO2 on net primary productivity NPP were sustained through the end of the experiment, but negative effects of elevated O3 on NPP had dissipated during the final three years of treatments. The declining response to O3 over time resulted from the compensatory growth of O3-tolerant genotypes and species as the growth of O3-sensitive individuals declined over time. Cumulative NPP over the entire experiment was 39% greater under elevated CO2 and 10% lower under elevated O3. Enhanced NPP under elevated CO2 was sustained by greater root exploration of soil for growth-limiting N, as well as more rapid rates of litter decomposition and microbial N release during decay. Results from Aspen FACE clearly indicate that plants growing under elevated carbon dioxide, regardless of community type or ozone level, obtained significantly greater amounts of soil N. These results indicate that greater plant growth under elevated carbon dioxide has not led to “progressive N limitation”. If similar forests growing throughout northeastern North America respond in the same manner, then enhanced forest NPP under elevated CO2 may be sustained for a longer duration than previously thought, and the negative effect of elevated O3 may be diminished by compensatory growth of O3-tolerant plants as they begin to dominate forest communities. By the end of the experiment, elevated CO2 increased ecosystem C content by 11%, whereas elevated O3 decreased ecosystem C content by 9%. Total ecosystem C content in the interaction treatment (elevated CO2 and O3) did not significantly differ from that of the control. Total ecosystem C content responded similarly to the treatments across the three forest communities. The treatment effects on ecosystem C content resulted from differences in tree biomass, particularly woody tissues (branches, stem, and coarse roots), and lower C content in the near-surface mineral soil. During its duration, the Aspen FACE project involved collaboration between scientists from 9 countries, and over the course of the experiment there were over 120 Aspen FACE scientific users. These scientists helped produce 75 publications during the most recent funding period (2008-2014) and 207 peer-reviewed publications (169 in refereed journals) since the beginning of the project.

54 ENVIRONMENTAL SCIENCES↗

Status Report on the Fabrication of Fuel Cladding Chemical Interaction Test Articles for ATR Irradiations

FeCrAl alloys are a promising new class of alloys for light water reactor (LWR) applications due to their superior oxidation and corrosion resistance in high temperature environments. The current R&D efforts have focused on the alloy composition and processing routes to generate nuclear grade FeCrAl alloys with optimized properties for enhanced accident tolerance while maintaining properties needed for normal operation conditions. Therefore, the composition and processing routes must be optimized to maintain the high temperature steam oxidation (typically achieved by increasing the Cr and Al content) while still exhibiting properties conducive to normal operation in a LWR (such as radiation tolerance where reducing Cr content is favorable). Within this balancing act is the addition of understanding the influence on composition and processing routes on the FeCrAl alloys for fuel-cladding chemical interactions (FCCI). Currently, limited knowledge exists on FCCI for the FeCrAl-UO 2 clad-fuel system. To overcome the knowledge gaps on the FCCI for the FeCrAl-UO2 clad-fuel system a series of fueled irradiation tests have been developed for irradiation in the Advanced Test Reactor (ATR) housed at the Idaho National Laboratory (INL). The first series of tests has already been reported. These tests used miniaturized 17x17 PWR fuel geometry rodlets of second-generation FeCrAl alloys fueled with industrial Westinghouse UO 2 fuel. These rodlets were encapsulated within a stainless steel housing.To provide high fidelity experiments and more robust testing, a new series of rodlets have been developed deemed the Accident Tolerant Fuel Experiment #1 Oak Ridge National Laboratory FCCI test (ATF-1 ORNL FCCI). The main driving factor, which is discussed in detail, was to provide a radiation environment where prototypical fuel-clad interface temperatures are met while still maintaining constant contact between industrial fuel and the candidate cladding alloys, hence promoting FCCI between the fuel-clad systems. The other factor was to develop a test bed where multiple candidate alloys could be evaluated within a single irradiation test train, thereby reducing overall costs and increasing efficiency in alloy screening efforts. A collaboration between ORNL and INL was developed to facilitate the completion of the test bed for FCCI testing. The report highlights the activities related to the development of the ATF-1 ORNL FCCI rodlets for irradiation in INL’s ATR as part of the on-going ATF-1 experiments.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Abstract - Cooperative Research and Development Agreement between Applied Spectra, Inc. and National Energy Technology Laboratory

Applied Spectra, as our industrial collaborator, is helping us develop our downhole LIBS sensor. Our part of the collaboration is the design, construction, and validation of the miniaturized fiber coupled laser whereas Applied Spectra will be providing technical guidance and control/analysis software. This will allow our system which is traditionally operated by a person to be automated in both data collection and analysis. This will allow our system to significantly increase its TRL.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Improved Preparedness in Galveston County, Texas (CRADA TC02275 Final Report)

LLNS, as manager and operator of Lawrence Livermore National Laboratory (LLNL), and UTMB have a multi-year, ongoing, collaborative effort. This effort aimed to improve preparedness in Galveston County, Texas region and, more generally, identifying improved methods to (a) understand and mitigate the hazards of a large industrial chemical release and (b)implement and adapt national response plans and guidance to meet local planning and response needs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enabling generalized phage therapy to treat secondary infections in COVID-19 (CRADA Final Report)

COVID-19 is a global health threat, with 32 millions infected and more than 500,000 deaths in the U.S. alone. A key aspect of COVID-19 deaths is bacterial secondary infections, with Staphylococcus aureus, Acinetobacter baumannii, and Pseudomonas aeruginosa identified as some of the major causative pathogens. Phage therapy, i.e., the administration of bacteriophages (viruses infecting these bacterial pathogens) to patients offers a complementary solution to antibiotics with multiple key advantages. Felix Biotechnology’s is developing a high-throughput platform to identify phages that not only kill pathogens, but also drive targeted trade-off of pathogenic phenotypes such as reduced virulence and antibiotic resistance, at a fraction of the time and R&D cost of any competitor. In this project, collaboration with scientists from the Lawrence Berkeley National Laboratory enabled Felix Biotechnology to establish robust analysis pipeline to investigate phage-host interactions in complex samples. These should enable a quick and robust identification of promising phages and key genetic determinants for therapy applications, paving the way towards a streamlined and safe use of phages in the clinic.

59 BASIC BIOLOGICAL SCIENCES↗

Deep Learning for Fish Identification from Sonar Data: CRADA 481 [Abstract only]

To help solve the challenges of hydropower energy production related to the potential for eel injury and mortality from passage through hydropower turbines, we will develop a deep learning method for identifying migrating eels from imaging sonar. This project continues with a prior project conducted by the Pacific Northwest National Laboratory (PNNL) and the Electric Power Research Institute (EPRI) in FY2018-2019. The proposed method employs Convolution Neural Network (CNN), a powerful deep learning method for image classification, to distinguish between images of eels and non-eel moving objects. We propose to collect more laboratory data and add more existing field data to train a powerful deep learning model. In addition to eels and sticks as classified in previous studies, we will add images containing several non-eel fish species and macrophyte mats to the training data. A multi-class classification model will be developed to distinguish these objects. Object detection algorithm will be explored and developed to locate and identify multiple objects in each sonar frame. Motion analysis will be performed to track the movement of objects in sonar video clips. We will also improve the data conversion algorithm so that it can read in both DIDSON and ARIS (both are imaging sonars developed by Sound Metrics Corp) data files and convert them to images with comparably high resolution, regardless of the varying detection ranges in different environments. The developed algorithms will be packaged as a software with a graphic user interface. The software will be evaluated by external collaborators in the field. The developed framework can be generalized for automatic monitoring of fish passage and migration using other imaging sonars like ARIS and will benefit the design and operation of ecologically friendly hydroelectric projects. The developed wavelet and CNN model configuration parameters can potentially be transferred to lamprey detection in similar riverine environments.

13 HYDRO ENERGY↗

Considerations of Radiation-Hardened Electronics for Alpha Detectors in Molten Salt Reactors

Along with advanced generations of reactors quickly becoming reality, the need for instrumentation to provide reliable information for their safety and operation is also becoming relevant. Instrumentation-wise, molten salt reactors (MSRs) represent an especially challenging case in which detectors must survive extreme temperatures, high amounts of radiation, and a highly corrosive coolant. Adding to the complexity, tight material control and accounting must be maintained with any special nuclear material (SNM), a practice made more difficult by the nature of a loop of flowing fuel. Alpha spectroscopy offers a unique window into investigating the isotopic concentrations of actinides within just such a molten salt environment. The characteristic α emissions of specific actinide isotopes in the salt enable quantification of their concentrations. Semiconductor devices based on wide bandgap materials such as silicon carbide and gallium oxide can withstand the extreme temperatures within MSRs and offer good chemical stability with the corrosive salt. Collaborators at The Ohio State University are fabricating and testing a β gallium oxide α particle sensor that could identify actinide concentrations within the fuel salt to help improve the material control and accounting required for complicated system inherent to MSRs.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

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