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At least 109 records · Page 6

Extension and Validation of NEMA-Style Dual-Ring Controller in SUMO

Until recently, SUMO users could not model the behavior of a ring-and-barrier traffic signal via existing signal types, which left North American SUMO users without the direct ability to capture traffic dynamics of their local networks. This work presents the methods, implementation overview, and validation of a 'dual-ring' NEMA style traffic controller which has recently been added to the main SUMO code base. A brief explanation of the 'dual-ring' implementation is also provided as context for those new to this type of traffic controller. The foundation for this work was presented at the SUMO User Conference 2021 by researchers at the US Department of Energy's National Renewable Energy Laboratory, but was not integrated into SUMO code base at the time. Following the initial inclusion of the controller to SUMO, the authors began validation of the SUMO controller against an Econolite software-in-the-loop (SIL) traffic signal controller configured with actual setup parameters from controllers in a real-world three-intersection corridor in Tuscaloosa, Alabama, USA. This paper documents the process of adding new features to the controller code as well as validating their implementation through simulation-based and automated grey-box testing is presented in this paper. Key features such as fully-actuated operation, various timing offset plans, proper next-phase fit algorithms and more, have been added and validated against this SIL system. Though not an exhaustive demonstration of features, this work is intended make more users aware of this extension of SUMO capabilities.

MATHEMATICS AND COMPUTING↗

Advanced Characterization Capabilities for Nuclear Materials via Nuclear Science User Facilities (NSUF)

Advanced post-irradiation examination (PIE) techniques are required to design new or improved nuclear materials, characterize, and understand in-core behavior of fuel and materials, and support the qualification of new reactor materials. The Nuclear Science User Facilities (NSUF) is the U.S. Department of Energy Office of Nuclear Energy's only designated nuclear science user facility. NSUF provides researchers access to PIE capabilities at Idaho National Laboratory and at a diverse mix of university, national laboratory and industrial partner institutions. The PIE capabilities include novel destructive and non-destructive techniques for radiation damage characterization, such as advanced diffraction techniques (X-ray, electron, or neutron) coupled to extreme environments; in-situ observation of microstructural evolution under irradiation; in-situ irradiation to monitor corrosive attack in coolant environments; in-situ irradiation and mechanical testing; and test methods for synergistic effects of superimposed extreme environments (temperature, irradiation, stress, corrosion) on materials behaviors. This talk will provide an overview of NSUF PIE capabilities.

36 MATERIALS SCIENCE↗

National User Resource for Biological Accelerator Mass Spectrometry

The National User Resource for Biological Accelerator Mass Spectrometry (User Resource) will provide isotopic analysis (primarily radiocarbon or 14C) by accelerator mass spectrometry (AMS) for NIH- funded researchers across the United States and will be the only User Resource of its type in the United States. The User Resource will provide measurement capability and expertise to a research community that requires highly sensitive, quantitative isotope analyses. Since commissioning a new accelerator mass spectrometer in June 2014, we have measured over 4000 samples a year for collaborators and service users. The User Resource will enable us to continue to meet these research needs, as well as provide for new users whose research programs would benefit from AMS as a measurement tool. The User Resource’s forte will be ultra-high sensitivity quantitation of radiocarbon and selected other radioisotopes for research studies where isotopes are required. Radioisotope labeling studies have been and will continue to be an important tool for addressing many complex biomedical science problems. AMS is a specialized and unique type of mass spectrometry that provides absolute quantitation of radiocarbon and other relevant radioisotopes with extreme sensitivity, having limits of detection in real samples on the order of a few attomol/mg of sample at measurement precisions of ~3%. It is the only instrumental method capable of quantifying radioisotope-labeled agents routinely in real-world samples with such precision and sensitivity. The sensitivity of AMS allows for the quantification of radiolabeled metabolites in extremely complex matrices of cells and organisms at very low concentrations and in small samples. AMS allows studies to be conducted without perturbing metabolism leading to more relevant quantification of metabolic rates and pathways. In addition, it enables quantification of pharmacokinetic and metabolic properties of toxicants at environmentally relevant concentrations in model systems as well as the ability to quantify pharmacokinetics and other molecular endpoints directly in humans. Such quantitative assessments can 1) improve risk assessment for toxicants, 2) address safety and efficacy considerations for therapeutic entities, 3) deepen understanding of xenobiotic and intermediary metabolism, 4) help understand the interactions between critical molecular pathways, and 5) improve efforts to model and predict various metabolic and biological states. These capabilities have been applied in a number of areas including research in carcinogenesis, toxicology, nutrition, pharmacology/drug development and basic biological science. As a NIGMS National Resource the National User Resource for Biological Accelerator Mass Spectrometry will help NIH funded scientists achieve a deeper understanding of the etiology of human health concerns by (1) enabling the quantification of pharmacokinetics and other molecular endpoints directly in humans; (2) offering the ability to conduct quantitative studies using biologics such as proteins or lipids, and thereby reducing the amount of radioisotope usage in biomedical labs; and (3) enabling more relevant studies of metabolic pathways in health and disease through the use of much lower, more biologically-relevant, concentrations of metabolic substrates in cells and intact organisms. Such studies support NIGMS’s basic biomedical research areas that contribute to the understanding of fundamental cellular and physiological principles and enable research supported by the Biophysics, Biomedical Technology, and Computational Biosciences (BBCB); Genetics and Molecular, Cellular, and Developmental Biology (GMCDB); Pharmacology, Physiology, Biological Chemistry (PPBC) and Training, Workforce Development, and Diversity (TWD) Divisions.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Editorial: Neuroscience, computing, performance, and benchmarks: Why it matters to neuroscience how fast we can compute

At the turn of the millennium the computational neuroscience community realized that neuroscience was in a software crisis: software development was no longer progressing as expected and reproducibility declined. The International Neuroinformatics Coordinating Facility (INCF) was inaugurated in 2007 as an initiative to improve this situation. The INCF has since pursued its mission to help the development of standards and best practices. In a community paper published this very same year, Brette et al. tried to assess the state of the field and to establish a scientific approach to simulation technology, addressing foundational topics, such as which simulation schemes are best suited for the types of models we see in neuroscience. In 2015, a Frontiers Research Topic “Python in neuroscience” by Muller et al. triggered and documented a revolution in the neuroscience community, namely in the usage of the scripting language Python as a common language for interfacing with simulation codes and connecting between applications. The review by Einevoll et al. documented that simulation tools have since further matured and become reliable research instruments used by many scientific groups for their respective questions. Open source and community standard simulators today allow research groups to focus on their scientific questions and leave the details of the computational work to the community of simulator developers. A parallel development has occurred, which has been barely visible in neuroscientific circles beyond the community of simulator developers: Supercomputers used for large and complex scientific calculations have increased their performance from ~10 TeraFLOPS (10 13 floating point operations per second) in the early 2000s to above 1 ExaFLOPS (10 18 floating point operations per second) in the year 2022. This represents a 100,000-fold increase in our computational capabilities, or almost 17 doublings of computational capability in 22 years. Moore's law (the observation that it is economically viable to double the number of transistors in an integrated circuit every other 18–24 months) explains a part of this; our ability and willingness to build and operate physically larger computers, explains another part. It should be clear, however, that such a technological advancement requires software adaptations and under the hood, simulators had to reinvent themselves and change substantially to embrace this technological opportunity. It actually is quite remarkable that—apart from the change in semantics for the parallelization—this has mostly happened without the users knowing. The current Research Topic was motivated by the wish to assemble an update on the state of neuroscientific software (mostly simulators) in 2022, to assess whether we can see more clearly which scientific questions can (or cannot) be asked due to our increased capability of simulation, and also to anticipate whether and for how long we can expect this increase of computational capabilities to continue.

biophysically detailed models↗

Energy Systems Integration Facility Stewardship Summary: Fiscal Year 2025

A summary of NLR's stewardship of the nationally unique Energy Systems Integration Facility (ESIF) highlighting performance metrics, capability upgrades, and examples of R&D impact. 2025 brought a national focus on energy and ESIF is meeting the moment. All eyes are on data centers and domestic manufacturing and bringing the benefits of artificial intelligence to power system planning and operations. In step with national priorities, ESIF is building out capabilities that advance secure, reliable, and affordable power. ESIF hosted 190 multidisciplinary research projects, 855 high-performance computer users, and collaborated with 81 partners from industry, academia, research, and federal agencies. These research projects resulted in an AI method for detecting high-impedance faults with 90% accuracy, a grid controls demonstration in Connecticut, power quality validation of CorePower's flagship inductor, and a cybersecurity assessment of potential rogue capabilities in digitally connected energy devices. Facility infrastructure improvements enhanced the thermal research network, the SCADA system, the cyber range, power hardware-in-the-loop testing, and more. With support from the U.S Department of Energy (DOE), the ESIF laboratories continue to deliver leading solutions for secure, reliable, and affordable power.

24 POWER TRANSMISSION AND DISTRIBUTION↗

National User Resource for Biological Accelerator Mass Spectrometry Annual Report

The National User Resource for Biological Accelerator Mass Spectrometry (User Resource) will provide isotopic analysis (primarily radiocarbon or 14C) by accelerator mass spectrometry (AMS) for NIH- funded researchers across the United States and will be the only User Resource of its type in the United States. The User Resource will provide measurement capability and expertise to a research community that requires highly sensitive, quantitative isotope analyses. Since commissioning a new accelerator mass spectrometer in June 2014, we have measured over 4000 samples a year for collaborators and service users. The User Resource will enable us to continue to meet these research needs, as well as provide for new users whose research programs would benefit from AMS as a measurement tool. The User Resource’s forte will be ultra-high sensitivity quantitation of radiocarbon and selected other radioisotopes for research studies where isotopes are required. Radioisotope labeling studies have been and will continue to be an important tool for addressing many complex biomedical science problems. AMS is a specialized and unique type of mass spectrometry that provides absolute quantitation of radiocarbon and other relevant radioisotopes with extreme sensitivity, having limits of detection in real samples on the order of a few attomol/mg of sample at measurement precisions of ~3%. It is the only instrumental method capable of quantifying radioisotope-labeled agents routinely in real-world samples with such precision and sensitivity. The sensitivity of AMS allows for the quantification of radiolabeled metabolites in extremely complex matrices of cells and organisms at very low concentrations and in small samples. AMS allows studies to be conducted without perturbing metabolism leading to more relevant quantification of metabolic rates and pathways. In addition, it enables quantification of pharmacokinetic and metabolic properties of toxicants at environmentally relevant concentrations in model systems as well as the ability to quantify pharmacokinetics and other molecular endpoints directly in humans. Such quantitative assessments can 1) improve risk assessment for toxicants, 2) address safety and efficacy considerations for therapeutic entities, 3) deepen understanding of xenobiotic and intermediary metabolism, 4) help understand the interactions between critical molecular pathways, and 5) improve efforts to model and predict various metabolic and biological states. These capabilities have been applied in a number of areas including research in carcinogenesis, toxicology, nutrition, pharmacology/drug development and basic biological science.

59 BASIC BIOLOGICAL SCIENCES↗

Merged Aerosol Value-Added Product Report

The Merged Aerosol Value-Added Product (VAP) simplifies scientists’ use of Atmospheric Radiation Measurement (ARM) User Facility aerosol data by performing several tedious, time-consuming tasks for the users. First, the VAP identifies the best data available when multiple datastreams exist for a single geophysical quantity so that ARM users do not have to research this for themselves. Second, the VAP consolidates multiple ARM aerosol datastreams into a single file for ARM data users so that they do not have to download, open, and read multiple files for their analysis. Next, the VAP transforms all measurements onto a common one-hour timestamp. The one-hour resolution matches the time resolution of the slowest instrument. Instruments with faster sampling rates than one measurement per hour are averaged over the time interval. Finally, the VAP reads the QA/QC variables and marks data with known issues as missing, so that users do not have to spend excessive time cleaning data. This includes incorporating Data Quality Reports (DQRs) that exist at the time when the VAP data is generated. DQRs are reports filed by instrument mentors or data users that indicate a problem with the output data of individual instruments.

54 ENVIRONMENTAL SCIENCES↗

OPERATOR 4.0 FOR HYBRID MANUFACTURING

Hybrid manufacturing, a combination of additive and subtractive manufacturing capabilities in one system, has recently become a more viable production option across several industries. Although current hybrid manufacturing research covers a broad range of topics, there is a lack of focus on how this new technology impacts both the designer and the operator of hybrid systems. This paper identifies areas of literature across design theory and Industry/Operator 4.0 research efforts and presents a path for applying this research to hybrid manufacturing users. The unique relationship between operator and designer is highlighted as they learn new strategies and develop new intuitive judgements over time to become the first experienced/expert users of hybrid manufacturing. The potential impact of excessive cognitive workload due to the novel combination of processes is discussed. This paper begins a critical discussion about proper knowledge transfer to other hybrid designers and operators, as well as towards efforts of monitoring, inspecting, and automating hybrid manufacturing processes.

Fillingim, Blane↗

Challenges and Opportunities in Magnetospheric Space Weather Prediction

Abstract Space Weather is the study of the dynamics of the coupled Solar‐Terrestrial environment, as these dynamics impact technological systems and human activity. This paper reviews a selection of the advances, challenges, and new opportunities for magnetospheric space weather, and while the focus is on specific phenomena, many other aspects of space weather will have similar challenges and needs. As a scientific field with direct applications, the field of space weather is partly driven by imperatives from both policy and operations. We provide an introduction to some of the context in which the field exists and discuss how this might shape future developments and norms within the space weather enterprise. We briefly examine benchmarking, as a policy and operationally driven activity, as it provides immediate societal relevance and an opportunity to stretch scientific understanding. As numerical space weather prediction now becomes routine, and exascale computing is in the near future, we identify challenges relating to computational expense and big data, capturing and accounting for uncertainties, and specification of boundary conditions. Here, as with the observations supporting numerical space weather prediction, the key challenge lies in extending the lead time of predictions. We also discuss the role of data, particularly in regard to model validation and empirical modeling. Due to the growing societal impact of space weather, we also examine the relationships between space weather and its terrestrial counterpart and look at the importance of continuous evaluation, monitoring progress in predictive capability, and communication with researchers, forecasters, and end users.

79 ASTRONOMY AND ASTROPHYSICS↗

Advanced Characterization in Advanced Manufacturing Workshop

The Advanced Manufacturing (AM) Work shop successfully convened experts from government, academia, and industry to address pressing scientific challenges and strengthen the AM user community. The workshop was held at the U.S. Department of Energy’s (DOE) Brookhaven National Laboratory during the National Synchrotron Light Source II (NSLS-II) and Center for Functional Nanomaterials (CFN) Users’ Meeting. Participation included researchers from Stony Brook University, Massachusetts Institute of Technology, Yale University, Harvard University, Columbia University, and several other institutions across the United States and the world. In conclusion, the program featured three complementary components—oral presentations, a facility tour, and a brainstorming session— that together fostered collaboration and high lighted the transformative role of synchrotron based characterization in AM.

36 MATERIALS SCIENCE↗

OptZConfig: Efficient Parallel Optimization of Lossy Compression Configuration

Lossless compressors have very low compression ratios that do not meet the needs of today's large-scale scientific applications that produce vast volumes of data. Error-bounded lossy compression (EBLC) is considered a critical technique for the success of scientific research. Although EBLC allows users to set an error bound for the compression, users have been unable to specify the requirements on the compression quality, limiting practical use. Our contributions are: (1) We formulate the problem of configuring EBLC to preserve a user-defined metric as an optimization problem. This allows many classes of new metrics to be preserved, which improves over current practices. (2) We present a framework, OptZConfig, that can adapt to improvements in the search algorithm, compressor, and metrics with minimal changes, enabling future advancements in this area. (3) We demonstrate the advantages of our approach against the leading methods to configure compressors to preserve specific metrics. Here, our approach improves compression ratios against a specialized compressor by up to 3 x, has a 56x speedup over FRaZ, 1000x speedup over MGARD-QOI post tuning, and 110x speedup over systematic approaches which had not been bounded by compressors before.

97 MATHEMATICS AND COMPUTING↗

Overview and Current Status of Neutron Imaging at Oak Ridge National Laboratory

Neutron imaging is a non-destructive technique used to study the internal structure and composition of a wide range of materials. At Oak Ridge National Laboratory (ORNL), there are two neutron imaging beamlines that provide complementary capabilities that serve a diverse community, from materials science and engineering to biomedical and plant sciences. This report provides an overview of the current ORNL imaging capabilities that support materials research for a broad user community.

Torres, James [ORNL] (ORCID:0000000289407610)↗

Summer 2021 Internship Report

The Library Research and Prototyping team (Proto Team) under the research library explores aspects of scholarly communication, covering aspects of infrastructure, interoperability, and persistence. One of the key contributions of the team is the contribution in standardizing and forming the infrastructure for Mementos in web archiving. The Memento framework in web archiving enables access to digital resources in prior versions serving both persistence and the interoperability of the information. During the internship program, I worked on improving the Memento infrastructure by updating the memento validator. The Memento validator provides the functionality of testing the compliance of the web resources to the Memento specification. The application is intended to be used by the community at large such as web archives, researchers, librarians, and general users, with different levels of technical expertise.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

GeoRePORT Protocol Volume II: Geological Assessment Tool

The GeoRePORT System is based on the concept that a geothermal system can be described both in terms of the quality of the geothermal resource as it relates to the potential to extract heat (resource grade) and the progress of research and development over the lifetime of the project (project readiness level). By assessing the major characteristics of a geothermal resource and categorizing the techniques used and how well the research technique was implemented, users can report a resource grade. The resource grade covers multiple geological, technological, and socioeconomic attributes that can be compared across play types and geothermal areas. Resource grade and project readiness level are reported for three assessment categories: geological, technical, and socioeconomic. This protocol document applies to the Geologic Assessment Tool and is intended for use with an excel-based spreadsheet tool, published separately.

15 GEOTHERMAL ENERGY↗

GeoRePORT Protocol Volume III: Technical Assessment Tool

The GeoRePORT System is based on the concept that a geothermal system can be described both in terms of the quality of the geothermal resource as it relates to the potential to extract heat (resource grade) and the progress of research and development over the lifetime of the project (project readiness level). By assessing the major characteristics of a geothermal resource and categorizing the techniques used and how well the research technique was implemented, users can report a resource grade. The resource grade covers multiple geological, technological, and socioeconomic attributes that can be compared across play types and geothermal areas. Resource grade and project readiness level are reported for three assessment categories: geological, technical, and socioeconomic. This protocol document applies to the Technical Assessment Tool and is intended for use with an excel-based spreadsheet tool, published separately.

15 GEOTHERMAL ENERGY↗

Deep Learning Model Segmentations on Computed Tomography 3D Reconstructions of Coffee Beans to Determine Void Ratio (U-Net) and Roast Level (LinkNet)

This project will evaluate the functionality of Object Research Dragonfly software’s user produced deep learning (DL) models on Computed Tomography (CT) scanned coffee beans from green (unroasted) through a dark roast. DL models will be expected to identify voids within the coffee beans, and identify the level of roast of the bean from the CT reconstruction. The scope of this project is intended to meet the Capstone Project requirements of University of California San Diego (UCSD) Structural Engineering master’s degree and offer useful insight on Dragonfly’s DL capability for LANL’s Non-Destructive Evaluation (NDE) CT team. The results of this project will be presented to the E-6 NDE group within LANL. Data acquisition was completed with a North Star Imaging (NSI) X-25 CT Cabinet.

97 MATHEMATICS AND COMPUTING↗

Report on Next-Gen AI for Proliferation Detection Workshop: Domain-Aware Methods

The emergence of artificial intelligence (AI) and machine learning (ML) in the modern world has impacted nearly every application imaginable. This includes nuclear proliferation detection, which offers the potential to improve existing capabilities as well as create new ones. Proliferation detection seeks to detect and characterize attempts by state and non-state actors to acquire nuclear weapons or associated technology, materials, or knowledge. Such a mission is vitally important for global stability and security but is notoriously difficult. By leveraging advances in AI, exciting opportunities exist to enhance the proliferation detection regime. The Data Science and AI portfolio within the National Nuclear Security Administration’s Office of Defense Nuclear Nonproliferation Research and Development (DNN R&D) seeks to leverage the capabilities of the Department of Energy’s (DOE’s) national laboratories and other partners to develop AI systems that can accomplish otherwise impossible tasks in support of proliferation detection. As part of its efforts, the portfolio has created a series of workshops on Next-Gen AI for Proliferation Detection to help define the requirements for suitable AI systems, share successful research and best practices, and foster connection and understanding between the relevant parties including researchers and end-users. Each workshop in the series focuses on a specific and critical aspect of AI to enable it to accomplish proliferation detection objectives. The first workshop focused on explainability techniques; the second workshop and the topic of this report, covers methods for incorporating domain awareness into AI. The Next-Gen AI for Proliferation Detection Workshop: Domain-Aware Methods took place virtually over two days in February 2021 and included four keynote presentations, 22 technical presentations, and a concluding panel. The presentations, discussions, and workshop findings are summarized in this report.

97 MATHEMATICS AND COMPUTING↗

Accelerating discoveries at DIII-D with the Integrated Research Infrastructure

DIII-D research is being accelerated by leveraging high performance computing (HPC) and data resources available through the National Energy Research Scientific Computing Center (NERSC) Superfacility initiative. As part of this initiative, a high-resolution, fully automated, whole discharge kinetic equilibrium reconstruction workflow was developed that runs at the NERSC for most DIII-D shots in under 20 min. This has eliminated a long-standing research barrier and opened the door to more sophisticated analyses, including plasma transport and stability. These capabilities would benefit from being automated and executed within the larger Department of Energy Advanced Scientific Computing Research program’s Integrated Research Infrastructure (IRI) framework. The goal of IRI is to empower researchers to meld DOE’s world-class research tools, infrastructure, and user facilities seamlessly and securely in novel ways to radically accelerate discovery and innovation. For transport, we are looking at producing flux matched profiles and also using particle tracing to predict fast ion heat deposition from neutral beam injection before a shot takes place. Our starting point for evaluating plasma stability focuses on the pedestal limits that must be navigated to achieve better confinement. This information is meant to help operators run more effective experiments, so it needs to be available rapidly inside the DIII-D control room. So far this has been achieved by ensuring the data is available with existing tools, but as more novel results are produced new visualization tools must be developed. In addition, all of the high-quality data we have generated has been collected into databases that can unlock even deeper insights. This has already been leveraged for model and code validation studies as well as for developing AI/ML surrogates. The workflows developed for this project are intended to serve as prototypes that can be replicated on other experiments and can be run to provide timely and essential information for ITER, as well as next stage fusion power plants.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗