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At least 523 records · Page 29

ARPA-E Grid Optimization (GO) Competition Challenge 1

The ARPA-E Grid Optimization (GO) Competition Challenge 1, from 2018 to 2019, focused on the basic Security Constrained AC Optimal Power Flow problem (SCOPF) for a single time period. The Challenge utilized sets of unique datasets generated by the ARPA-E GRID DATA program. Each dataset consisted of a collection of power system network models of different sizes with associated operating scenarios (snapshots in time defining instantaneous power demand, renewable generation, generator and line availability, etc.). The datasets were of two types: Real-Time, which included starting-point information, and Online, which did not. Week-Ahead data is also provided for some cases but was not used in the Competition. Although most datasets were synthetic and generated by GRIDDATA, a few came from industry and were only used in the Final Event. All synthetic Input Data and Team Results for the GO Competition Challenge 1 for the Sandbox, Trial Events 1 to 3, and the Final Event along with problem, format, scoring and rules descriptions are available here. Data for industry scenarios will not be made public. Challenge 1, a minimization problem, required two computational steps. Solver 1 or Code 1 solved the base SCOPF problem under a strict wall clock time limit, as would be the case in industry, and reported the base case operating point as output, which was used to compute the Objective Function value that was used as the scenario score. The feasibility of the solution was provided by the Solver 2 or Code 2, which solves the power flow problem for all contingencies based on the results from Solver 1. This is not normally done in industry, so the time limits were relaxed. In fact, there were no time limits for Trial Event 1. This proved to be a mistake, with some codes running for more than 90 hours, and a time limit of 2 seconds per contingency was imposed for all other events. Entrants were free to use their own Solver 2 or use an open-source version provided by the Competition. Containers, such as Docker, were considered to improve the portability of codes, but none that could reliably support a multi-node parallel computing environment, e.g., MPI, could be found. For more information on the competition and challenge see the "GO Competition Challenge 1 Information" and "GO Competition Challenge 1 Additional Information" resources below.

ACOPF↗

Impact of cyberattacks on safety and stability of connected and automated vehicle platoons under lane changes

Connected and automated vehicles (CAVs) offer a huge potential to improve the operations and safety of transportation systems. However, the use of smart devices and communications in CAVs introduce new risks. CAVs would leverage vehicle to vehicle (V2V) and vehicle to infrastructure (V2I) communication, thus providing additional system access points compared to traditional systems. Automation makes these systems more vulnerable and increases the consequences of cyberattacks. This study utilizes an infrastructure-based communication platform consisting of cooperative adaptive cruise control and lane control advisories developed by the authors to perform cyber risk assessment of CAVs. The study emulates three types of cyberattacks (message falsification, dedicated denial of service, and spoofing attacks) in a representative traffic environment consisting of multiple CAV platoons and lane change events to analyze the safety and stability impacts of the cyberattacks. Simulation experiments using VISSIM reveals that traffic stream and CAV string is unstable under all three types of cyberattacks. The worst case is represented by the message falsification attack. Increases in volatility are observed over a no attack case, with variations increasing by an average of 43%–51% along with an increase of over 3000 crash conflicts. Similarly, lane change crash conflicts are observed to be more severe compared to rear end crash conflicts, showing a higher probability of severe injuries. Further, the case of slight cyberattack on a single CAV also creates significant disruption in the traffic stream. Analysis of variance (ANOVA) reveals the statistical significance of the results. Furthermore, these results pave the way for future design of secure systems from a monitoring perspective.

97 MATHEMATICS AND COMPUTING↗

Analysis of soot formation from aviation fuels in laminar counterflow flames

Combustion emissions from aviation contribute to the formation of condensation trail (contrail) that can lead to the formation of anthropogenic cirrus clouds. Ice particles that form contrails are observed to have a linear correlation with soot particle number density. Synthetic aviation fuels (SAFs) offer a promising route to mitigate the production of soot particles while also increasing energy security. Although studies have focused on combustion and spray behavior, the detailed investigation of soot formation processes for different jet fuels and their impact on models for computational fluid dynamics (CFD) applications is not well understood. Moreover, experimental measurements of soot for canonical flames using Synthetic aviation fuels (SAF) for model validation remain scarce. To address this, we use employed the Lawrence Livermore National Laboratory (LLNL) detailed soot model based on the discrete sectional method. Additionally, we develop two reduced chemical mechanisms for Jet-A and Alcohol-to-Jet (C1) that are suitable for turbulent flame simulations and couple them with the Hybrid Method of Moments (HMOM). The detailed and reduced model frameworks are validated against experimental measurements of soot volume fraction (ƒ ν ) from a counterflow burner experiment previously reported in the literature. Given the good agreement between modeling results and experimental measurements for the (1) spatial distribution of ƒ ν and (2) the non-linear variation of peak ƒ ν with strain rate, we further investigate the modeled sub-processes (nucleation, condensation, surface growth, and oxidation) using the LLNL model to analyze the assumptions in the reduced model framework. Furthermore, the results indicate a significant contribution from resonant radicals to the surface growth of soot particles, which are not accounted for in the current implementation of HMOM and could help reconcile soot predictions by the reduced model with observations.

Counterflow↗

How Artificial Intelligence and Machine Learning Transform the Human Condition

Our July 2021 symposium, “How Artificial Intelligence and Machine Learning Transform the Human Condition,” was hosted through a partnership between Los Alamos National Laboratory and the National Academies of Sciences, Engineering, and Medicine’s Committee on Science, Technology, and Law. The symposium is part of a broader initiative focusing on harnessing transformative technologies, and builds on our September 2020 symposium titled, “COVID-19: Harnessing a Transformational Pandemic.” Topics such as systems biology and artificial intelligence not only represent compelling research frontiers but also highlight national security challenges with social, ethical, and legal implications.

60 APPLIED LIFE SCIENCES↗

NeuroSymbolic Approaches as a Vector for Assured Artificial Intelligence

The deployment of artificial intelligence systems in critical applications requires higher levels of assurance for safety, security, and interpretability. While neurosymbolic (NESY) approaches combining neural networks with symbolic reasoning offer potential advantages for assured AI, existing differentiable neurosymbolic frameworks face significant limitations including computational overhead and performance constraints. This report investigates the ISED (InferSampleEstimateDescend) framework as an alternative approach that enables neurosymbolic learning without requiring endtoend differentiability. We evaluate ISED’s utility for geointelligence applications by comparing neurosymbolic models against standard neural networks on aircraft classification tasks using the RarePlanes and MTARSI imagery datasets. Our results demonstrate that while ISEDbased models achieve slightly lower accuracy (89.7% vs 92.1% on RarePlanes; 91.1% vs 92.5% on MTARSI), they provide critical explainability capabilities that enable tracing incorrect predictions back to specific attribute misclassifications. We also present an automated pipeline that generates both attributeclass mappings and neurosymbolic model architectures from natural language descriptions, significantly reducing the manual effort required for NESY model deployment. These findings suggest that ISED offers a promising direction for developing assured AI systems where interpretability and reasoning transparency are prioritized alongside performance.

97 MATHEMATICS AND COMPUTING↗

IBR Digital Supply Chain Gap Analysis and Recommendations

The adoption of clean energy technologies, including solar photovoltaics, continues to introduce non-traditional stakeholders to the operations and planning of the electric system. Stakeholders such as manufacturers, vendors, owners, aggregators, and others are enabling the adoption, integration, and optimum operations of solar technologies at accelerated rates. Inverters form the foundation of many digitally controlled energy sources for clean energy technologies, including Solar, Battery Energy Storage Systems, Hybrid Systems, and Hydrogen Fuel Cells. Their supply chain is complex, a series of microchips, electronic switches and other components making up its primary functions. The complexity of this space and the growing digitization associated with these components can create supply chain cyber risks. One measure to mitigate cybersecurity attacks is proper digital supply chain security. The U.S. Department of Energy (DOE) Solar Energy Technologies Office (SETO), in partnership with the Cybersecurity, Energy, Security, and Emergency Response (CESER) office, is hosting a workshop to bring together solar vendors and services providers to discuss digital supply chain security for solar systems and challenges and opportunities in the transitioning to a fully domestic supply chain for solar energy in the U.S. This workshop will support the Securing Solar for the Grid (S2G) and Energy Cyber Sense program activities. During the workshop, industry experts and researchers from DOE National Laboratories will discuss the current solar supply chain landscape and the transition to domestic manufacturing of solar components in the U.S. Tools and techniques to better manage and secure the digital supply chain of solar devices and systems will be discussed.

cybersecurity↗

Quantum Communication Networks for Energy Applications: Review and Perspective

Abstract The energy sector is expected to undergo significant changes in the coming decades with the advent of new technologies, including smart grid development, microgrid expansion, increasing electric vehicle and renewable energy usage, and enhanced measures to minimize greenhouse gas emission, among others. In tandem, these changes are expected to create new opportunities for the deployment of quantum technologies within the energy sector. Building on the authors' previous reviews on the current state of and future opportunities for quantum sensing, quantum computing and quantum simulations for energy sector applications, this work provides an overview of recent progress in quantum networking and communications for the energy industry, with a focus on platforms, devices, and protocols, including quantum teleportation and quantum key distribution. Specific areas of relevance to the energy sector are then analyzed, including the role of quantum networks for greenhouse gas monitoring, secure data collection and transmission in smart grids, nuclear power plants’ safety, facilitating oil and gas exploration, and other energy‐relevant applications. This review concludes with a brief overview of areas for future innovation, including the need for platforms for simulating quantum networks, quantum material and platform design, and computational approaches to accelerate quantum protocol discovery and development.

Paudel, Hari P.↗

Adoption of a token-based authentication model for the CMS Submission Infrastructure

The CMS Submission Infrastructure (SI) is the main computing resource provisioning system for CMS workloads. A number of HTCondor pools are employed to manage this infrastructure, which aggregates geographically distributed resources from the WLCG and other providers. Historically, the model of authentication among the diverse components of this infrastructure has relied on the Grid Security Infrastructure (GSI), based on identities and X509 certificates. In contrast, commonly used modern authentication standards are based on capabilities and tokens. The WLCG has identified this trend and aims at a transparent replacement of GSI for all its workload management, data transfer and storage access operations, to be completed during the current LHC Run 3. As part of this effort, and within the context of CMS computing, the Submission Infrastructure group is in the process of phasing out the GSI part of its authentication layers, in favor of IDTokens and Scitokens. The use of tokens is already well integrated into the HTCondor Software Suite, which has allowed us to fully migrate the authentication between internal components of SI. Additionally, recent versions of the HTCondor-CE support tokens as well, enabling CMS resource requests to Grid sites employing this CE technology to be granted by means of token exchange. After a rollout campaign to sites, successfully completed by the third quarter of 2022, the totality of HTCondor CEs in use by CMS are already receiving Scitoken-based pilot jobs. On the ARC CE side, a parallel campaign was launched to foster the adoption of the REST interface at CMS sites (required to enable token-based job submission via HTCondor-G), which is nearing completion as well. In this contribution, the newly adopted authentication model will be described. We will then report on the migration status and final steps towards complete GSI phase out in the CMS SI.

Pérez-Calero Yzquierdo, Antonio↗

RCSB Protein Data Bank (RCSB.org): delivery of experimentally-determined PDB structures alongside one million computed structure models of proteins from artificial intelligence/machine learning

Abstract The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB), founding member of the Worldwide Protein Data Bank (wwPDB), is the US data center for the open-access PDB archive. As wwPDB-designated Archive Keeper, RCSB PDB is also responsible for PDB data security. Annually, RCSB PDB serves >10 000 depositors of three-dimensional (3D) biostructures working on all permanently inhabited continents. RCSB PDB delivers data from its research-focused RCSB.org web portal to many millions of PDB data consumers based in virtually every United Nations-recognized country, territory, etc. This Database Issue contribution describes upgrades to the research-focused RCSB.org web portal that created a one-stop-shop for open access to ∼200 000 experimentally-determined PDB structures of biological macromolecules alongside >1 000 000 incorporated Computed Structure Models (CSMs) predicted using artificial intelligence/machine learning methods. RCSB.org is a ‘living data resource.’ Every PDB structure and CSM is integrated weekly with related functional annotations from external biodata resources, providing up-to-date information for the entire corpus of 3D biostructure data freely available from RCSB.org with no usage limitations. Within RCSB.org, PDB structures and the CSMs are clearly identified as to their provenance and reliability. Both are fully searchable, and can be analyzed and visualized using the full complement of RCSB.org web portal capabilities.

59 BASIC BIOLOGICAL SCIENCES↗

Enterprise Credentialing Service Statement of Work (SOW)

The scope of this project includes providing professional services in support of the development and deployment of an Enterprise Credentialing Service for the Department of Energy (DOE) National Nuclear Security Administration (NNSA), which will be used for issuing and managing credentials used for authentication, digital signature, and encryption functions by users, applications, and devices in a closed computing environment. The Seller shall provide subject matter expertise for the design and deployment of the technologies and processes that comprise the Enterprise Credentialing Service, which will include a public key infrastructure (PKI) and a credential management system (CMS) that issues and manages PKI-based smartcard credentials. The Enterprise Credentialing Service will support approximately 17,000 users at 15 DOE NNSA sites and laboratories located across the continental United States.

97 MATHEMATICS AND COMPUTING↗

Cyber-Informed Engineering Adoption in University Engineering Programs: An Overview of CIE Integration Successes at Nine U.S. Educational Institutions

This report examines the adoption of Cyber-Informed Engineering (CIE) in university engineering programs, driven by the need to protect critical energy infrastructure from adversarial threats. CIE equips current and future engineers and technicians with the necessary mindset, skills, and competencies to enhance the resilience of engineered systems against cyber attacks. This report highlights nine academic partners who are incorporating CIE into their curricula through various approaches, including lectures, courses, and certificates.

42 ENGINEERING↗

Rapid CFD Using Machine Learning Algorithms (CRADA Final Report)

This is a collaborative effort between Lawrence Livermore National Security, LLC as manager and operator of Lawrence Livermore National Laboratory (“LLNL”) and Guardian Glass, LLC ("Guardian Glass") to develop a fast-running emulator of the reactive Computational Fluid Dynamics (“CFD”) simulations needed to understand the complex reactions and flows in the glass melting, fining, and forming subprocesses. This CRADA project is sponsored under the High-Performance Computing for Manufacturing (“HPC4Mfg”) Program of the Department of Energy’s Advanced Manufacturing Office (“AMO”) within the Energy Efficiency and Renewable Energy (“EERE”) Office.

36 MATERIALS SCIENCE↗

14 Steps to Creating Value in Cost and Schedule Resources for Nuclear Waste Management - 20188

While Waste Management budgets are shrinking, DOE required cost and schedule controls are becoming increasingly stringent. At the same time, there is a scarcity of adept, qualified, and competent projects controls staff who both understand nuclear waste management and are capable of addressing today's cost and schedule challenges. In response, we have developed a systematic approach to training and mentoring project controls staff. The approach is based on the observations and lessons learned on projects, both successful and unsuccessful, over the past 20 years. During that time, we evaluated staff development and used that experience to design a program that progresses the maturity, knowledge and experience of the individual. The program is based on the unique needs of cost and schedule specialists while incorporating the best leadership and managerial applications. The system is not limited to developing individual software skills, which is a primary focus of many project controls training programs. Instead, our system develops an individual's soft and hard skill sets. The system develops the user's skill, talent, attitude, and drive to do the best job possible. It focuses on all aspects of becoming a more productive technical team while accepting responsibility for individual growth. It also enhances the project controls team by setting up checks and balances that everyone is aware of and participates in. The system is based on 14 steps of increasing complexity in knowledge and application. The system clarifies roles, responsibilities and expectations. It helps eliminate uncertainty and reduces stress on staff and managers. It contains everyday routine actions and is simple to implement. It allows the development of a consistent rhythm to staff growth and development. Mastering the steps will allow the user to achieve excellence in cost and schedule control. The 14 steps are: 1 - Key Performance Objectives, 2 - Check Lists, 3 - Desktop Guides, 4 - System Description, 5 - Procedures, 6 - Software and On the Job Training (OTJ), 7 - Traceability Checks, 8 - Surveillances, 9 - 32 Criteria, 10 - The Contract, 11 - Customer/Government Guidance, 12 - Training and Mentoring Others, 13 - Master your weekly and daily schedules, 14 - Improving your interpersonal skills. Application and mastery of this system will produce better cost and schedule control results. Your project controls staff will write better reports, analyze data better, make better use of their time, and be more valuable to decision makers. If followed rigorously, our system will produce a great project controls team, which is invaluable to the success of each project. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

LANL Institutional Computing Report: Towards a digital twin of Arctic sea ice

Our goal is to develop a digital twin of Arctic sea ice that combines high-resolution predictive modeling with observational products. This effort will provide an optimized model for use in seasonal to sub-seasonal forecasting and a tool for policymakers to better anticipate, plan for, and mitigate the national security impacts of rapidly changing Arctic conditions. The modeling component uses the Discrete Element Model for Sea Ice (DEMSI), which uses discrete elements to represent the sea ice with an explicit representation of forces between them.

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↗