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DOE OSTI2023

Clean Energy Co-Benefits: Air Quality, Health and Just Energy Transitions

Outdoor air pollution is a leading environmental risk factor and contributes to public health concerns. With assistance from the Department of State, NREL researchers supported the expansion of the Intervention Model for Air Pollution (InMAP) to Global InMAP model. This model offers a new approach to estimating the human health impacts caused by air pollutant emissions and how those impacts are distributed across populations around the world. Further research sponsored by the U.S. Agency for International Development (USAID) and executed by NREL and the University of Minnesota applied the Global InMAP Model for the first time in a study of the effects of renewable electricity deployment on air quality and human health in Southeast Asia. This brief details the inception, application, and novel approach of the Global InMAP model, and more broadly NREL's capabilities for air quality modeling and health effects co-benefits analyses in the context of just energy transitions.

air quality↗

DOE OSTI2018

Dark energy survey operations: years 4 and 5

The Dark Energy Survey is a “stage III” dark energy experiment, performing an optical imaging survey to measure cos-mological equation of state parameters using four independent methods. The scope and complexity of the survey, originallyscheduled for 525 nights of observing spread over five years and combining a 5000 degree wide survey with a 10 field weeklytime-domain survey, introduced complex strategic and tactical scheduling problems that needed to be addressed. We beginwith an overview of the process used to develop DES strategy and tactics, from the inception of the project, to task forces thatstudied and developed strategy changes over the course of the survey, to the nightly pre-observing meeting in which imme-diate tactical issues were addressed. We then summarize the strategic choices made for each sub-survey, including metrics,scheduling considerations, choice of time domain fields and their sequences of exposures, and wide survey footprint andpointing layout choices. We go on to describe the detailed process that determined which specific exposures were taken atwhich specific times. We give a chronology of the strategic and tactical peculiarities of each year of observing, including theproposal and execution of a sixth year. We give an overview ofobstac, the implementation of the DES scheduler used to sim-ulate and evaluate strategic and tactical options, and automate exposure scheduling; and describe developments inobstacfor use after DES. Appendices describe further details of data quality evaluation,τ, andteff; airmass calculation; and model-ing of the seeing and sky brightness. The significant corpus of DES data indicates that the simple scaling relations for seeingas a function of wavelength and airmass derived from the Kolmogorov turbulence model work adequately for exposureplanning purposes: deviations from these relations are modest in comparison with short time-scale seeing variations

Gruendl, Robert A.↗

DOE OSTI2016

A Lyapunov Function Based Remedial Action Screening Tool Using Real-Time Data

This report summarizes the outcome of a research project that comprised the development of a Lyapunov function based remedial action screening tool using real-time data (L-RAS). The L-RAS is an advanced computational tool that is intended to assist system operators in making real-time redispatch decisions to preserve power grid stability. The tool relies on screening contingencies using a homotopy method based on Lyapunov functions to avoid, to the extent possible, the use of time domain simulations. This enables transient stability evaluation at real-time speed without the use of massively parallel computational resources. The project combined the following components. 1. Development of a methodology for contingency screening using a homotopy method based on Lyapunov functions and real-time data. 2. Development of a methodology for recommending remedial actions based on the screening results. 3. Development of a visualization and operator interaction interface. 4. Testing of screening tool, validation of control actions, and demonstration of project outcomes on a representative real system simulated on a Real-Time Digital Simulator (RTDS) cluster. The project was led by Michigan State University (MSU), where the theoretical models including homotopy-based screening, trajectory correction using real-time data, and remedial action were developed and implemented in the form of research-grade software. Los Alamos National Laboratory (LANL) contributed to the development of energy margin sensitivity dynamics, which constituted a part of the remedial action portfolio. Florida State University (FSU) and Southern California Edison (SCE) developed a model of the SCE system that was implemented on FSU's RTDS cluster to simulate real-time data that was streamed over the internet to MSU where the L-RAS tool was executed and remedial actions were communicated back to FSU to execute stabilizing controls on the simulated system. LCG Consulting developed the visualization and operator interaction interface, based on specifications provided by MSU. The project was performed from October 2012 to December 2016, at the end of which the L-RAS tool, as described above, was completed and demonstrated. The project resulted in the following innovations and contributions: (a) the L-RAS software prototype, tested on a simulated system, vetted by utility personnel, and potentially ready for wider testing and commercialization; (b) an RTDS-based test bed that can be used for future research in the field; (c) a suite of breakthrough theoretical contributions to the field of power system stability and control; and (d) a new tool for visualization of power system stability margins. While detailed descriptions of the development and implementation of the various project components have been provided in the quarterly reports, this final report provides an overview of the complete project, and is demonstrated using public domain test systems commonly used in the literature. The SCE system, and demonstrations thereon, are not included in this report due to Critical Energy Infrastructure Information (CEII) restrictions.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS2012

Autonomous Navigation for Deep Space Missions

Navigation (determining where the spacecraft is at any given time, controlling its path to achieve desired targets), performed using ground-in- the-loop techniques: (1) Data includes 2-way radiometric (Doppler, range), interferometric (Delta- Differential One-way Range), and optical (images of natural bodies taken by onboard camera) (2) Data received on the ground, processed to determine orbit, commands sent to execute maneuvers to control orbit. A self-contained, onboard, autonomous navigation system can: (1) Eliminate delays due to round-trip light time (2) Eliminate the human factors in ground-based processing (3) Reduce turnaround time from navigation update to minutes, down to seconds (4) React to late-breaking data. At JPL, we have developed the framework and computational elements of an autonomous navigation system, called AutoNav. It was originally developed as one of the technologies for the Deep Space 1 mission, launched in 1998; subsequently used on three other spacecraft, for four different missions. The primary use has been on comet missions to track comets during flybys, and impact one comet.

navigation↗

DOE OSTI2018

Glovebox Handling of High-Consequence Materials with Super Baxter and Gesture-Based Programming - 18598

The handling of high-consequence materials is a difficult task requiring safe object manipulation while avoiding the risk of contamination or spillage. Specific operations including opening containers, segregating the wastes, and repackaging are required to be safely executed inside contained spaces such as gloveboxes. However, the workers' ability and dexterity to manipulate objects through thick protective gloves are compromised in many aspects. The fixed position of the glovebox arm ports restricts the movements of the workers' arms, which also makes it hard to lift heavy objects. Further, the operational workspace inside the glovebox is restricted by the gloves' reachability. Safety of workers is the paramount concern in glovebox operations and the very reason for their existence. Sharp edges and tools increases the risk of glove punctures, which may expose the operator to chemicals and radiation and risks contamination in the vicinity outside the glovebox. The operators are also affected by ergonomic stressors due to prolonged and repetitive operations. To achieve a high degree of human safety, robotic solutions to handle high-consequence materials inside the glovebox are desirable, as they remove the operators from the hazards listed above. However, robots, in general, lack the degree of adaptability necessary for most high-consequence material handling tasks as these tasks are often unstructured or highly variable. Likewise, most human operators, while highly skilled in the tasks at hand (task expertise), lack the robot programming skills necessary to adapt the robot's motions to the variations (programming expertise). A way to bridge this divide is to make robot programming more intuitive to human operators. Since humans naturally teach one another through demonstration and learning, robotic 'programming by demonstration' paradigms have begun to appear to reduce the burden of robot reprogramming. Gesture-Based Programming attempts to achieve that by enabling a robot to observe the normal actions and affordances of a human performing a task to learn to map those onto the skills of the robot. In the end, this approach permits benefits from both the human and the robot: the human's adaptive decision making and the robot's resilience to high-consequence material. Robotic solutions assuringly provide protection for the operators, however their autonomy brings about other potential risks. Artificial Intelligence is not perfect; it is a black box, which can produce results, but the full extent of those results may not be known precisely. In self-driving cars, a hypothetical AI problem is the 'green man detector'. Since self-driving cars have presumably never seen a green man, how can we know it won't veer toward him the first time it sees a green man? Likewise, even though GbP provides an open method for safe task execution replicating a human, incorrect task inferences can lead to potential collisions or unintended operations. Thus, a hardware safety measure is proposed to provide reliable operation inside the glovebox, and true safe operations are achieved by mechanically limiting the operational range of each arm link. The operational range is computed and validated through exhaustive offline simulations, which can be streamlined by affordable computing power. Super Baxter is one such robot which incorporates these capabilities. It is a human-like, bimanual robot, being developed at the Collaborative Robotics Lab (CRL) in conjunction with the Dept. of Energy/Environmental Management, Rethink Robotics, Barrett Technology, and the NSF Center for Robots and Sensors for the Human Well-Being (RoSe-HUB). Super Baxter is envisioned to represent the next generation of collaborative robots that will be intrinsically human-safe, as well as exceptionally human-intuitive. In summary, Super Baxter will enable safe glovebox operations through low-shot Gesture based Programming incorporated with hardware safety measures. Two aspects of safety will be discussed in the paper. First, the safety of the operator achieved by allowing him to program Super Baxter remotely through Gesture based Programming. Second, the safety of the glovebox, achieved by incorporating hardware safety measures using joint limits. Further, the capability of Super Baxter on Gesture based Programming is demonstrated through typical object manipulation tasks in glovebox operations. (authors)

42 ENGINEERING↗

NASA NTRS1997

Performance Data Gathering and Representation from Fixed-Size Statistical Data

The two commonly-used performance data types in the super-computing community, statistics and event traces, are discussed and compared. Statistical data are much more compact but lack the probative power event traces offer. Event traces, on the other hand, are unbounded and can easily fill up the entire file system during program execution. In this paper, we propose an innovative methodology for performance data gathering and representation that offers a middle ground. Two basic ideas are employed: the use of averages to replace recording data for each instance and 'formulae' to represent sequences associated with communication and control flow. The user can trade off tracing overhead, trace data size with data quality incrementally. In other words, the user will be able to limit the amount of trace data collected and, at the same time, carry out some of the analysis event traces offer using space-time views. With the help of a few simple examples, we illustrate the use of these techniques in performance tuning and compare the quality of the traces we collected with event traces. We found that the trace files thus obtained are, indeed, small, bounded and predictable before program execution, and that the quality of the space-time views generated from these statistical data are excellent. Furthermore, experimental results showed that the formulae proposed were able to capture all the sequences associated with 11 of the 15 applications tested. The performance of the formulae can be incrementally improved by allocating more memory at runtime to learn longer sequences.

Yan, Jerry C.↗

DOE OSTI2025

CGSim: A Simulation Framework for Large Scale Distributed Computing Environment

Large-scale distributed computing infrastructures such as the Worldwide LHC Computing Grid (WLCG) require comprehensive simulation tools for evaluating performance, testing new algorithms, and optimizing resource allocation strategies. However, existing simulators suffer from limited scalability, hardwired algorithms, lack of real-time monitoring, and inability to generate datasets suitable for modern machine learning approaches. We present CGSim, a simulation framework for large-scale distributed computing environments that addresses these limitations. Built upon the validated SimGrid simulation framework, CGSim provides high-level abstractions for modeling heterogeneous grid environments while maintaining accuracy and scalability. Key features include a modular plugin mechanism for testing custom workflow scheduling and data movement policies, interactive real-time visualization dashboards, and automatic generation of event-level datasets suitable for AI-assisted performance modeling. We demonstrate CGSim’s capabilities through a comprehensive evaluation using production ATLAS PanDA workloads, showing significant calibration accuracy improvements across WLCG computing sites. Scalability experiments show near-linear scaling for multi-site simulations, with distributed workloads achieving 6 × better performance compared to single-site execution. The framework enables researchers to simulate WLCG-scale infrastructures with hundreds of sites and thousands of concurrent jobs within practical time budget constraints on commodity hardware.

Vatsavai, Sairam Sri [Brookhaven National Laborato↗

NASA NTRSDate not supplied

Reinforcement Learning for Spacecraft Navigation & Environment Characterization in the Planar-Restricted Two-Body Problem

During mission planning and execution, spacecraft operators must balance data collection and downlink, systems constraints, human factors, and navigation. As missions become increasingly complex and ambitious, these factors become more intricately entwined and conflicted. For example, a spacecraft’s position must be known accurately in order to point to and image a target. Large position errors may cause missed observations or require additional scanning that increases operations complexity and data volume. Some observations require imaging from specific relative geometries which adds orbit control and timing considerations. Adjusting the orbit may allow for optimal observability of environmental parameters and/or enable more efficient sensor coverage, but maneuver execution error adds uncertainty to the current state which impacts both characterization and coverage objectives.

Navigation↗

NASA NTRS2006

Intelligent Rover Execution for Detecting Life in the Atacama Desert

On-board supervisory execution is crucial for the deployment of more capable and autonomous remote explorers. Planetary science is considering robotic explorers operating for long periods of time without ground supervision while interacting with a changing and often hostile environment. Effective and robust operations require on-board supervisory control with a high level of awareness of the principles of functioning of the environment and of the numerous internal subsystems that need to be coordinated. We describe an on-board rover executive that was deployed on a rover as past of the "Limits of Life in the Atacama Desert (LITA)" field campaign sponsored by the NASA ASTEP program. The executive was built using the Intelligent Distributed Execution Architecture (IDEA), an execution framework that uses model-based and plan-based supervisory control of its fundamental computational paradigm. We present the results of the third field experiment conducted in the Atacama desert (Chile) in August - October 2005.

Baskaran, Vijayakumar↗

DOE OSTI2019

Dark Energy Survey’s Observation Strategy, Tactics, and Exposure Scheduler

The Dark Energy Survey is a “stage III” dark energy experiment, performing an optical imaging survey to measure cosmological equation of state parameters using four independent methods. The scope and complexity of the survey, originally scheduled for 525 nights of observing spread over five years and combining a 5000 degree wide survey with a 10 field weekly time-domain survey, introduced complex strategic and tactical scheduling problems that needed to be addressed. We begin with an overview of the process used to develop DES strategy and tactics, from the inception of the project, to task forces that studied and developed strategy changes over the course of the survey, to the nightly pre-observing meeting in which immediate tactical issues were addressed. We then summarize the strategic choices made for each sub-survey, including metrics, scheduling considerations, choice of time domain fields and their sequences of exposures, and wide survey footprint and pointing layout choices. We go on to describe the detailed process that determined which specific exposures were taken at which specific times. We give a chronology of the strategic and tactical peculiarities of each year of observing, including the proposal and execution of a sixth year. We give an overview of obstac, the implementation of the DES scheduler used to simulate and evaluate strategic and tactical options, and automate exposure scheduling; and describe developments in obstac for use after DES. Appendices describe further details of data quality evaluation, t, and teff; airmass calculation; and modeling of the seeing and sky brightness. The significant corpus of DES data indicates that the simple scaling relations for seeing as a function of wavelength and airmass derived from the Kolmogorov turbulence model work adequately for exposure planning purposes: deviations from these relations are modest in comparison with short time-scale seeing variations.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1979

Satellite Power Systems (SPS) concept definition study, exhibit C. Volume 1: Executive summary

The Department of Energy (DOE) is currently conducting an evaluation of approaches to provide energy to meet demands in the post-2000 time period. The Satellite Power System (SPS) is a candidate for producing significant quantities of base-load power using solar energy as the source. The SPS concept is illustrated for a solar photovoltaic concept. A satellite, located at geosynchronous orbit, converts solar energy to dc electrical energy using large solar arrays. This study is a continuing effort to provide system definition data to aid in the evaluation of the SPS concept.

Hanley, G. M.↗

NASA NTRSDate not supplied

The Big Plunge at Venus: The DAVINCI Descent Phase

DAVINCI (Deep Atmosphere Venus Investigation of Noble gases, Chemistry, and Imaging) was selected as one of two new Discovery missions in summer of 2021 with the primary goals are to study how the Venus atmosphere formed and changed over time. DAVINCI does this by making in situ measurements of the atmosphere and taking images below the cloud layer during the descent phase. The probe is neither designed nor required to land on the surface so all critical science data must be taken and transmitted to a relay spacecraft prior to impact. This architecture drives the mission to a carefully-crafted concept of operations; deployments, instrument operations, and communications are choreographed to ensure the right data is gathered at the right altitude given the uncertainties in the trajectory and timeline. A complex flow of analyses and tests throughout development will validate the system’s ability to execute the mission goals. In the end, DAVINCI will be ready for the one opportunity at one hour of descent time to meet its driving science goals.

DAVINCI↗

NASA NTRS2023

NASA GRC ICME Schema for Materials Data Management: An Executive Summary

Integrated Computational Materials Engineering (ICME) has received a growing emphasis in attention due its potential impact on rapid material design, reduction in cost and time to market for new applications, and the promise of ‘fit-for-purpose’ materials coupled with recent advances in high performance computing and material characterization tools. However, for an organization to implement ICME practices for material discovery and design, a series of both technical and cultural challenges must be overcome to foster an environment that enables efficient, traceable, and predictive multiscale simulations of material behavior to enable virtual design of materials. In 2016, NASA sponsored a 2040 Vision study to define the potential 25-year future state required for integrated multiscale modeling of materials and systems to improve both the associated time and cost for aerospace and aeronautical innovation. The study envisions a cyber-physical-social ecosystem of experimentally validated computational models, tools, and techniques, along with the associated digital tapestry, that can enable rapid, optimized, ‘fit-for-purpose’ design of materials, components, and systems. A key requirement for such an ecosystem is the development of a robust information management system for materials across their full lifecycle, including material pedigree, experimental (real) and virtual (simulation) data, developed material models, and the implementation of models in engineering applications, such that process-structure-property-performance relationships can be established, thereby enabling the virtual design and optimization of materials. Such an information management system must be able to effectively capture: i) material information at each length scale; ii) test data and analysis; iii) associated material models; and iv) material and model deployment in engineering applications. These systems must also provide traceability between experimental and virtual representations of the material to ensure, when appropriate, the material digital twin is maintained. Additionally, this robust material information management system must be able to seamlessly connect with both commercial and an organization’s in-house software tools, be they analysis tools, other material databases, product lifecycle management (PLM) or simulation data management (SDM) tools, etc., such that automation of the design and analysis of a material across multiple length scales is possible. In this paper, an executive summary of the NASA GRC ICME Schema for materials information management is presented. The database best practices and schema design philosophy specifically for ICME materials data management and an overview description of each element in the schema is given, along with its associated role in an ICME workflow. Additionally, auxiliary tools that interact with the database and provide judicious automation with regards to importing, exporting, and analyzing materials data are presented. Such tools are critical to an ICME ecosystem, not only for their role in enabling optimization, but also in relieving users of tedious manual tasks, thus helping to promote adoption and combat the cultural challenges organizations face in enabling ICME.

Materials↗

DOE OSTI2022

Joint LLNL, LANL, SNL, and IRSN High Multiplication Subcritical (Multiplicity) Benchmark Experiments Execution Plan (IER-518 CED-3a)

As part of the experiment design and planning, the critical experiment design team (CEDT), as well as additional stakeholders, convened a series of meetings to discuss the goals and requirements of execution for this experiment. The slides from these meetings are attached in Appendix A. The following sections summarize the outcome of those discussions and present the planned experimental configurations and measurements. The stated goals of this experiment are as follows: 1) Measure time-tagged list-mode data for configurations exceeding neutron multiplication of 100; 2) Provide intercomparison between LLNL, LANL, and IRSN detector systems and methodologies; 3) Generate experiment execution report(s) useful to a fundamental physics benchmark for the ICSBEP; 4) Leverage existing critical experiment and detector system benchmarks to limit required modeling and uncertainty analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2012

Method and device for landing aircraft dependent on runway occupancy time

A technique for landing aircraft using an aircraft landing accident avoidance device is disclosed. The technique includes determining at least two probability distribution functions; determining a safe lower limit on a separation between a lead aircraft and a trail aircraft on a glide slope to the runway; determining a maximum sustainable safe attempt-to-land rate on the runway based on the safe lower limit and the probability distribution functions; directing the trail aircraft to enter the glide slope with a target separation from the lead aircraft corresponding to the maximum sustainable safe attempt-to-land rate; while the trail aircraft is in the glide slope, determining an actual separation between the lead aircraft and the trail aircraft; and directing the trail aircraft to execute a go-around maneuver if the actual separation approaches the safe lower limit. Probability distribution functions include runway occupancy time, and landing time interval and/or inter-arrival distance.

Ghalebsaz Jeddi, Babak↗

DOE OSTI2025

Towards an Introspective Dynamic Model of Globally Distributed Computing Infrastructures

Large-scale scientific collaborations like ATLAS, Belle II, CMS, DUNE, and others involve hundreds of research institutes and thousands of researchers spread across the globe. These experiments generate petabytes of data, with volumes soon expected to reach exabytes. Consequently, there is a growing need for computation, including structured data processing from raw data to consumer-ready derived data, extensive Monte Carlo simulation campaigns, and a wide range of end-user analysis. To manage these computational and storage demands, centralized workflow and data management systems are implemented. However, decisions regarding data placement and payload allocation are often made disjointly and via heuristic means. A significant obstacle in adopting more effective heuristic or AI-driven solutions is the absence of a quick and reliable introspective dynamic model to evaluate and refine alternative approaches. In this study, we aim to develop such an interactive system using real-world data. By examining job execution records from the PanDA workflow management system, we have pinpointed key performance indicators such as queuing time, error rate, and the extent of remote data access. The dataset includes five months of activity. Additionally, we are creating a generative AI model to simulate time series of payloads, which incorporate visible features like category, event count, and submitting group, as well as hidden features like the total computational load—derived from existing PanDA records and computing site capabilities. These hidden features, which are not visible to job allocators, whether heuristic or AI-driven, influence factors such as queuing times and data movement.

kilic, Ozgur Ozan [Brookhaven National Laboratory ↗

DOE OSTI2023

GPU acceleration of local and semilocal density functional calculations in the SPARC electronic structure code

We present a Graphics Processing Unit (GPU)-accelerated version of the real-space SPARC electronic structure code for performing Kohn–Sham density functional theory calculations within the local density and generalized gradient approximations. In particular, we develop a modular math-kernel based implementation for NVIDIA architectures wherein the computationally expensive operations are carried out on the GPUs, with the remainder of the workload retained on the central processing units (CPUs). Here, using representative bulk and slab examples, we show that relative to CPU-only execution, GPUs enable speedups of up to 6× and 60× in node and core hours, respectively, bringing time to solution down to less than 30 s for a metallic system with over 14 000 electrons and enabling significant reductions in computational resources required for a given wall time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Accelerating Bilevel Optimization With Hierarchical Many-Threaded Parallel Differential Evolution

Bilevel optimization is encountered in many relevant real-world applications. The main feature of this type of problem is that an upper-level optimization problem is constrained by a nested lower-level optimization problem. Because of this nested structure, bilevel problems (BLPs) are usually computationally expensive to solve. Differential evolution (DE) has demonstrated promising results in solving BLPs of relatively small scales. As the problem scale increases, the decision space becomes intrinsically larger, requiring a growing number of function evaluations for the method to work properly. In this context, heavy parallelization and high-performance computing techniques are indispensable to enable the resolution of more complex and challenging optimization problems. Hence, we propose a hierarchical many-threaded parallel DE approach for BLPs, where both levels are parallelized. The computational experiments demonstrate that the parallel implementation achieved runtime speeds ranging from 44 to 2559 times faster than the sequential version on a well-known scalable SMD benchmark test problem when executed on an NVIDIA A100 GPU. The findings indicate that the algorithm’s convergence is strongly influenced by the number of both upper- and lower-level generations. Moreover, the success of experiments with large-scale problems is closely linked to the choice of small population sizes.

Dufek, Amanda S↗