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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

A geospatial risk analysis graphical user interface for identifying hazardous chemical emission sources

Background: Performing back trajectory and forward trajectory using the Hybrid Single-Particle Lagrangian Integrated Trajectory Model (HYSPLIT) is a reliable approach for assessing particle transport after release among mid-field atmospheric models. HYSPLIT has an externally facing online interface that allows non-expert users to run the model trajectories without requiring extensive training or programming. However, the existing HYSPLIT interface is limited if simulations have a large amount of meteorological data and timesteps that are not coincident. The objective of this study is to design and develop a more robust tool to rapidly evaluate hazard transport conditions and to perform risk analysis, while still maintaining an intuitive and user-friendly interface. Methods: HYSPLIT calculates forward and backward trajectories of particles based on wind speed, wind direction, and the corresponding location, timestamp, and Pasquill stability classes of the regions of the atmosphere in terms of the wind speed, the amount of solar radiation, and the fractional cloud cover. The computed particle transport trajectories, combined with the online Proton Transfer Reaction-Mass Spectrometry (PTR-MS) data (https://figshare.com/articles/dataset/ARL_Data_from_PROS_station_at_Hanford_site/19993964), can be used to identify and quantify the sources and affected area of the hazardous chemicals’ emission using the potential source distribution function (PSDF). PSDF is an improved statistical function based on the well-known potential source contribution function (PSCF) in establishing the air pollutant source and receptor relationship. Performing this analysis requires a range of meteorological and pollutant concentration measurements to be statistically meaningful. The existing HYSPLIT graphical user interface (GUI) does not easily permit computations of trajectories of a dataset of meteorological data in high temporal frequency. To improve the performance of HYSPLIT computations from a large dataset and enhance risk analysis of the accidental release of material at risk, a geospatial risk analysis tool (GRAT-GUI) is created to allow large data sets to be processed instantaneously and to provide ease of visualization. Results: The GRAT-GUI is a native desktop-based application and can be run in any Windows 10 system without any internet access requirements, thus providing a secure way to process large meteorological datasets even on a standalone computer. GRAT-GUI has features to import, integrate, and convert meteorological data with various formats for hazardous chemical emission source identification and risk analysis as a self-explanatory user interface. The tool is available at https://figshare.com/articles/software/GRAT/19426742.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

ComStock™ 2024 Release 1 [SWR-19-33 and SWR-20-32]

ComStock™ is an NREL model of the U.S. commercial building stock. The model takes some building characteristics from the U.S. Department of Energy's (DOE's) Commercial Prototype Building Models and Commercial Reference Building. However, unlike many other building stock models, ComStock also combines these with a variety of additional public- and private-sector data sets. Collectively, this information provides high-fidelity building stock representation with a realistic diversity of building characteristics. This repository contains the source code used to build and execute ComStock models, including upgrade scenarios. In addition, the sampling of buildings characteristics used for the initial ComStock (V1.0) release is provided. The ComStock model is under active calibration and development, which is publicly visible on this repository. Execution of the ComStock workflow is managed through the buildstockbatch repository, a shared asset of ResStock™ and ComStock™ , specifically developed to scale to execution of tens of millions of simulations through multiple infrastructure providers. The dataset output from the initial ComStock (V1.0) release can be found at the accompanying ComStock data viewer website and additional information about ComStock found on the NREL Buildings Website. For more details about ongoing model development please consult the End Use Load Profiles website. ComStock is a direct result of the NREL residential stock modeling tool ResStock™ (recipient of a R&D100 award) and was inspired by the high-fidelity solar & storage adoption model dGen™. Additionally, this tool would not be possible without the decades of work undertaken by the OpenStudio® and EnergyPlus® visionaries and contributors, significant funding, feedback and support from the Los Angeles Department of Water and Power, and the Department of Energy's Building Technology Office ongoing support of and investment in building energy modeling software. is an analytic methodology for modeling the energy usage of the commercial building stock within the United States of America. The commercial building stock is represented through a sampling of complex probabilistic distributions of various features of interest for modeling energy usage within commercial buildings. Each sample from these distributions is converted into a building energy model based on the features of that specific sample. Each building energy model can be simulated as is, but additional changes can be made to the model through addition of energy conservation measures, component faults, or other desired alterations. The results of the simulations are then processed to provide insights for various stakeholders, including but not limited to policy makers, engineers, and marketers.

Horsey, Henry↗
NASA NTRSDate not supplied

Updates on the Debrisat Hypervelocity Experiment and Characterization of Fragments in Support of Environmental Models

To develop, maintain, and update orbital debris environmental and break-up models, such as the NASA Orbital Debris Engineering Model (ORDEM) and the NASA Standard Satellite Breakup Model (SSBM), the NASA Orbital Debris Program Office (ODPO) relies on the most recent validated datasets from various measurement sources, both laboratory and environmental. One key project that will provide insight for break-up events using modern-day spacecraft materials and construction techniques is the DebriSat laboratory hypervelocity-impact test. Based on the mass of the target, the projectile, and the impact velocity, the expected number of fragments greater than 2 mm, generated using the NASA SSBM, was estimated to be close to 85,000. To date, the DebriSat fragment database continues to grow, with over 200,000 fragments collected that will help inform updates to the SSBM. Additionally, the growing fragment ensemble will support key parameters for the next release of NASA’s environmental models, employing fragment shapes, densities, and size distributions. To further support these environmental models, specifically the size parameter used in ground-based optical measurements, optical characterization on a subset of DebriSat fragments is being conducted in ODPO’s Optical Measurement Center (OMC). Broadband bidirectional reflectance distribution (BRDF) measurements will provide insight into the optical-based NASA Size Estimation Model (OSEM). The OSEM equates an object’s brightness to size (e.g., diameter of a disk or sphere) given several assumed parameters, including a defined phase function, albedo, and range. To address the first defined parameter, the ODPO has been using ray-tracing software to simulate light conditions in the OMC and to generate phase functions (i.e., specular, Lambertian, and experimentally-derived) of known shapes, materials, and sizes. This simulated data, in addition to the experimentally derived measurements collected in the OMC, will aid in determining whether a new phase function would be suitable for an updated OSEM. The OSEM also assumes a single-value albedo, thus pre-impact spectral measurements on a subset of DebriSat materials were acquired for baseline material characterization and to provide insight into spacecraft material taxonomies. This DebriSat spectral data, along with spectral measurements from other known spacecraft material samples, will allow for better analyses of albedo variations and the effect on size calculations of defined laboratory targets, thus further supporting OSEM updates. This paper provides an overview of DebriSat, the status of the project, updates on the parameter distributions, an overview of the NASA SSBM, and ongoing fragment characterization efforts within the OMC.

Heather Cowardin↗
NASA NTRSDate not supplied

Updates on the DebriSat Hypervelocity Experiment and Characterization of Fragments in Support of Environmental Models

To develop, maintain, and update orbital debris environmental and break-up models, such as the NASA Orbital Debris Engineering Model (ORDEM) and the NASA Standard Satellite Breakup Model (SSBM), the NASA Orbital Debris Program Office (ODPO) relies on the most recent validated datasets from various measurement sources, both laboratory and environmental. One key project that will provide insight for break-up events using modern-day spacecraft materials and construction techniques is the DebriSat laboratory hypervelocity-impact test. Based on the mass of the target, the projectile, and the impact velocity, the expected number of fragments greater than 2 mm, generated using the NASA SSBM, was estimated to be close to 85,000. To date, the DebriSat fragment database continues to grow, with over 200,000 fragments collected that will help inform updates to the SSBM. Additionally, the growing fragment ensemble will support key parameters for the next release of NASA’s environmental models, employing fragment shapes, densities, and size distributions. To further support these environmental models, specifically the size parameter used in ground-based optical measurements, optical characterization on a subset of DebriSat fragments is being conducted in ODPO’s Optical Measurement Center (OMC). Broadband bidirectional reflectance distribution (BRDF) measurements will provide insight into the optical-based NASA Size Estimation Model (OSEM). The OSEM equates an object’s brightness to size (e.g., diameter of a disk or sphere) given several assumed parameters, including a defined phase function, albedo, and range. To address the first defined parameter, the ODPO has been using ray-tracing software to simulate light conditions in the OMC and to generate phase functions (i.e., specular, Lambertian, and experimentally-derived) of known shapes, materials, and sizes. This simulated data, in addition to the experimentally derived measurements collected in the OMC, will aid in determining whether a new phase function would be suitable for an updated OSEM. The OSEM also assumes a single-value albedo, thus preimpact spectral measurements on a subset of DebriSat materials were acquired for baseline material characterization and to provide insight into spacecraft material taxonomies. This DebriSat spectral data, along with spectral measurements from other known spacecraft material samples, will allow for better analyses of albedo variations and the effect on size calculations of defined laboratory targets, thus further supporting OSEM updates. This paper provides an overview of DebriSat, the status of the project, updates on the parameter distributions, an overview of the NASA SSBM, and ongoing fragment characterization efforts within the OMC.

Heather Cowardin↗
DOE OSTI2021

Hydropower Biological Evaluation Toolset Best Practice Guide

Field studies using live fish are necessary for the evaluation of turbine biological performance, but they cannot determine the specific hydraulic conditions or physical stresses experienced by the fish, the locations where deleterious conditions occur, or the specific causes of the biological response. Using the Sensor Fish (SF) sensing technology, this deficiency can be overcome because the SF can be released independently or concurrently with live fish directly into operating infrastructure, and it takes high-frequency measurements of hydraulic conditions such as pressure, acceleration, and rotation acting on a body in situ during downstream passage. The Hydropower Biological Evaluation Tools (HBET; Hou et al. 2018) software package, developed by Pacific Northwest National Laboratory (PNNL), is designed to assemble, organize, and process data collected by the PNNL-developed SF and by live fish. HBET was developed specifically to design SF field studies, process the raw data, and analyze the processed data efficiently and scientifically. Its objectives are to facilitate SF studies focused on characterizing hydraulic conditions and to apply SF data for evaluating the impacts on fish from passage through hydro-structures. HBET allows users to design new studies, analyze data, perform statistical analyses, and evaluate predicted biological responses. It can be used by researchers, turbine designers, hydropower operators, and regulators to evaluate hydro-structures to enhance environmental sustainability in a cost-effective manner.

13 HYDRO ENERGY↗
DOE OSTI2020

SciPy 1.0: fundamental algorithms for scientific computing in Python

SciPy is an open-source scientific computing library for the Python programming language. Since its initial release in 2001, SciPy has become a de facto standard for leveraging scientific algorithms in Python, with over 600 unique code contributors, thousands of dependent packages, over 100,000 dependent repositories and millions of downloads per year. In this work, we provide an overview of the capabilities and development practices of SciPy 1.0 and highlight some recent technical developments.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2017

Upgrades to Common Data Acquisition System Software Development for NASA's Rocket Propulsion Test Facilities and Software Reuse

Approximately five years ago, the National Aeronautics and Space Administration (NASA) Stennis Space Center (SSC) resumed operation of its large rocket engine test facilities after thirty years of contractor control. During this period, contactors used their own proprietary Data Acquisition System (DAS) to record and process rocket propulsion test data. The transition from a contractor managed facility to a NASA managed facility posed a difficult challenge. In order to support the commercial space launch initiative, SSC needed to develop a software replacement for the contractor proprietary DAS. This replacement software would enable SSC to operate propulsion test facilities more cost effectively and to be more readily able to adapt software for reuse, while at the same time provide internal and external customers with reliable population test data. Therefore, SSC developed in-house, a non-proprietary software suite of applications to replace the previously used proprietary DAS. The requirements for the DAS suite included recording and processing propulsion test data. This capability eliminates the necessity for customers to provide a DAS or rely on a competitor's DAS. An additional benefit of owning the software suite included enabling the ability to add additional features and functionality at a lower cost. The Rocket Propulsion Test (RPT) Program Office reviewed consideration for funding this project with the caveat that development of the software included availability for use with minimal modifications to all SSC test facilities and RPT centers: Marshall Space Flight Center (MSFC), White Sands Test Facility (WSTF), and Glenn Research Center (GRC) Plum Brook Station. Based upon this guideline, SSC created the NASA Data Acquisition System (NDAS) software suite. The ability to use the software at multiple centers, even though each field center uses differing DAS hardware with different capabilities, drove a requirement that the software design be portable with minimal modifications to the software. Then, with software release requirements, evaluations, and approvals completed, the NDAS software suite could also become available to other government agencies, corporations, universities, and the general United States public.

Herbert, Phillip W., Sr.↗
DOE OSTI2019

Computational simulation of a 100 kW dual circulating fluidized bed reactor processing coal by chemical looping with oxygen uncoupling

Chemical looping with oxygen uncoupling (CLOU) is a promising carbon capture technology that utilizes two interconnected fluidized-bed reactors to separate oxygen from air using a metal oxide, and then to use that oxygen to combust fuel in a nitrogen-free environment. CLOU is particularly well suited for solid fuels such as coal since released O 2 will readily combust with solid char. This study presents simulations of the University of Utah's dual fluidized bed chemical looping process development unit (PDU) operating as a CLOU system at 100 kW th , using CPFD Software's Barracuda-VR™ CFD modeling program. A full 3D model of the PDU was used including both reactors, as well as loop seals and cyclone separators. Hydrodynamic settings and the drag model are based on previous cold-flow validation experiments. Mechanisms describing CLOU reaction kinetics for cuprous oxide oxidation in the air reactor and cupric oxide reduction in the fuel reactor were adapted from previously completed experimental work. Coal char kinetics were based on the carbon-hydrogen-nitrogen-oxygen-sulfur, CHNOS, method. Submodels for devolatilization, gasification, and homogenous gas-phase reactions used relationships from the literature. Results predict volatile burnout almost immediately, though coal combustion continues into the upper portions of the fuel reactor and cyclone. Lastly, nitrogen gas leakage into the fuel reactor is shown to be mostly carryover from the air reactor

42 ENGINEERING↗
NASA NTRSDate not supplied

Human Capabilities Assessments for Autonomous Missions: A Multi-Team Research Effort to Reduce Risk in the Human-System Integration Architecture for Future Deep-Space Missions

In future exploration missions beyond low earth-orbit, crew will have to execute complex operations and respond to off-nominal events, without real-time support from Mission Control. It is anticipated that increased reliance on automated systems, including human-centric vehicle and information architecture, will need to be designed to support the crew; increased risk to performance, health, and safety may occur if these are not implemented appropriately. The Human Factors and Behavioral Performance Element (HFBP) in the NASA Human Research Program supports research to characterize and mitigate such human health and performance risks, including the Risk of Adverse Outcome Due to Inadequate Human Systems Integration Architecture (HSIA). The HSIA risk addresses the integration of onboard capability and the crew roles and responsibilities necessary to enable the crew to respond effectively and efficiently in the increasingly autonomous mission operations environment. In 2017, HFBP released the “Human Capabilities Assessments for Autonomous Missions” (HCAAM) research topic to address HSIA related questions. HCAAM is a major NASA research effort that has assembled a multidisciplinary team from seven institutions to work closely with design and engineering efforts on research towards developing and refining human performance standards, guidelines and automation tools. The scientific focus is on quantitative assessment of human capabilities relevant to future deep-space missions during which earth/spacecraft communication is so delayed and intermittent that the crew must be able to function autonomously. The integrated strategy of the HCAAM project characterizes human capabilities and limitations related to potential performance decrements during long duration exploration mission spaceflight as relevant to both routine and complex task performance; defines system characteristics that reduce the likelihood or impact of potential decrements in human performance capabilities; performs integrated assessment of intelligent system responses within the context of an operational environment with relevant NASA tools, systems, and data structures in order to determine positive or negative interactions and validate recommended approaches; and proposes specific updates to existing standards and guidelines for inclusion in NASA handbooks for the design of future spacecraft intelligent systems that provide crew performance assessment/feedback, and to also serve as decision-support aids for the onboard crew (i.e., NASA-STD-3001, and NASA/SP-Human Integration Design Handbook (HIDH)). The scientific research vectors being addressed by the seven HCAAM teams include: - crew task performance (accuracy, efficiency) (crew + automation) - crew performance (accuracy, efficiency) - crew Situation Awareness - procedure design and multi-modal enhancement - concurrent tasking (mixed manual + some level of autonomy) - task handover - crew self-planning and time-lining - task design - trust in automation, real-time calibration - human multi-sensory feedback and guidance - human trust in on-board software-based intelligent assistants - virtual assistants The presentation will highlight plans and progress made in each of these research areas as well as the methods by which surrogate astronaut crews in the NASA JSC HERA spaceflight analog facility will function as human test subjects for all of the HCAAM research projects.

HCAAM VNSCOR↗
NASA NTRS2016

NASA Operational Simulator for Small Satellites: Tools for Software Based Validation and Verification of Small Satellites

The NASA Operational Simulator for Small Satellites (NOS3) is a suite of tools to aid in areas such as software development, integration test (IT), mission operations training, verification and validation (VV), and software systems check-out. NOS3 provides a software development environment, a multi-target build system, an operator interface-ground station, dynamics and environment simulations, and software-based hardware models. NOS3 enables the development of flight software (FSW) early in the project life cycle, when access to hardware is typically not available. For small satellites there are extensive lead times on many of the commercial-off-the-shelf (COTS) components as well as limited funding for engineering test units (ETU). Considering the difficulty of providing a hardware test-bed to each developer tester, hardware models are modeled based upon characteristic data or manufacturers data sheets for each individual component. The fidelity of each hardware models is such that FSW executes unaware that physical hardware is not present. This allows binaries to be compiled for both the simulation environment, and the flight computer, without changing the FSW source code. For hardware models that provide data dependent on the environment, such as a GPS receiver or magnetometer, an open-source tool from NASA GSFC (42 Spacecraft Simulation) is used to provide the necessary data. The underlying infrastructure used to transfer messages between FSW and the hardware models can also be used to monitor, intercept, and inject messages, which has proven to be beneficial for VV of larger missions such as James Webb Space Telescope (JWST). As hardware is procured, drivers can be added to the environment to enable hardware-in-the-loop (HWIL) testing. When strict time synchronization is not vital, any number of combinations of hardware components and software-based models can be tested. The open-source operator interface used in NOS3 is COSMOS from Ball Aerospace. For testing, plug-ins are implemented in COSMOS to control the NOS3 simulations, while the command and telemetry tools available in COSMOS are used to communicate with FSW. NOS3 is actively being used for FSW development and component testing of the Simulation-to-Flight 1 (STF-1) CubeSat. As NOS3 matures, hardware models have been added for common CubeSat components such as Novatel GPS receivers, ClydeSpace electrical power systems and batteries, ISISpace antenna systems, etc. In the future, NASA IVV plans to distribute NOS3 to other CubeSat developers and release the suite to the open-source community.

Verification↗
DOE OSTI2023

Wind Energy Accomplishments and Year-End Performance Report: Fiscal Year 2023

As the United States' largest source of renewable energy, wind is already playing a vital role in the nation's shift to electricity generated from sustainable resources. Scientists, engineers, and analysts at the U.S. Department of Energy's (DOE's) National Renewable Energy Laboratory (NREL) are propelling our country closer to this clean energy future with new efficient, reliable, and cost-competitive wind technologies and deployment strategies. In Fiscal Year 2023 (FY 2023), NREL received national acclaim for recent wind technology breakthroughs, applauded sustained decades of progress in wind energy research, and heralded new initiatives to support the next generation of wind development. This report and NREL's achievements of the last year set the stage for innovative research to come. Two NREL software innovations used to assess wind technology options were recognized with R&D 100 Awards. The Renewable Energy Potential (reV) model helps planners, developers, and researchers calculate wind energy capacity, generation, and cost for specific facilities, fleets and scenarios. NREL's Simulation and Emulation for Advanced Systems validates transmission and distribution solutions to minimize implementation risks. Both of these tools can be applied to a range of renewable solutions to cut costs and improve the reliability of systems in even the most remote locations. The laboratory commemorated landmark anniversaries for wind energy research facilities and programs managed by NREL. The National Wind Technology Center (NWTC) celebrated 30 years as a world-class hub for renewable energy research. An important component of the NWTC on NREL's Flatirons Campus, the one-of-a-kind 7-megawatt (MW) Controllable Grid Interface wind energy research apparatus, turned 10 this year. The Collegiate Wind Competition completed its tenth annual competition in May 2023. Six years after the grand challenges in wind energy science were first compiled, NREL brought together more than 100 wind energy experts from 15 countries to revisit the field's most pressing research needs. Other key new research initiatives examined ways to simultaneously address the needs for skilled wind energy workers and equitable job opportunities. NREL released the first national-level report evaluating offshore wind industry workforce gaps and ways to build a large, diverse pool of job candidates. The lab also co-hosted the International Partnering Forum's Offshore Wind Workforce Summit as part of its ongoing efforts to address the special challenges of that industry sector. NREL research and development (R&D) for the DOE Wind Energy Technologies Office (WETO) continues to build momentum in its efforts to combat climate change, create clean energy jobs, and promote energy justice. This report provides more detail on these top achievements and other accomplishments made by NREL and its partners during FY 2023 (between Oct. 1, 2022, and Sept. 30, 2023).

accomplishments↗
NASA NTRS2022

Reliability-Aware Requirements Development for Autonomy Software

Autonomy is the ability of a system to make decisions and take actions in the presence of uncertainty. Validating autonomy, therefore, is a matter of validating that the system makes intelligent decisions even when there might be discrepancies between the observed and the expected state of the world as well as when the possible outcome of each of the possible courses of action is uncertain. During the requirements engineering phase, the functions, including those that are required to be autonomous and their expected behavior are specified. However, in the case of autonomous software system, it is challenging to specify all possible scenarios that the software may encounter. Additionally, since autonomous behaviors cannot always be fully predetermined, it is difficult to reason about their completeness and correctness. While these challenges are also faced with non-autonomous system, they are more prevalent for autonomous system due to their complexity and emergent behavior. Our efforts have been three-fold. On one hand, we have developed a goal-based method for requirements decomposition. We have embedded this approach into a higher-level systems engineering framework and then developed methods for decision and reliability analysis within this framework. And finally, we use simulation analysis to validate the more theoretical methods and provide a feedback mechanism. The decision analysis approach (DA) helps in identifying and mitigating the run-time risks, by bringing to the forefront the uncertainties, decisions, interactions, and other factors that may cause autonomous software to make erroneous decisions. The DA framework is used to quantify, for each decision that the software can make, failure risk due to uncertainties. The information about the key decisions and circumstances that can cause autonomous system to make incorrect decisions are used to generate test scenarios to be run in a simulator to ensure that the system can handle error-prone circumstances. The results or outcomes from decisions, based on the simulated scenarios, can then be leveraged to further gain insight of the assured system. We combine a goal-based approach with simulation analysis to facilitate requirements development for autonomous systems and further provide a method for run-time systems level reliability considerations during the autonomous software development process. The DA and the reliability analysis methods provide a formalism for the consideration of uncertainty in the run time decision-making process for autonomous software. This formalism considers the uncertainty involved in the outcome of different courses of action, in terms of performance and cost, as well as a method to consider the system level reliability implications. System level reliability considerations for autonomous software decision making contribute to the satisfaction of the system level goals over the lifecycle of a given mission. We demonstrate our approach using a hypothetical rover path planning example. The requirements for our rover simulator are based on existing literature about Mars rovers and lessons learned from real world observations at JPL. The specifics of the autonomy design for the Mars rovers, that have not been previously cleared for external release, are not used for our demonstrations.

Lindvall, Mikael↗
DOE OSTI2025

GEPA: Reflective Prompt Evolution Can Outperform Reinforcement Learning

Large language models (LLMs) are increasingly adapted to downstream tasks via reinforcement learning (RL) methods like Group Relative Policy Optimization (GRPO), which often require thousands of rollouts to learn new tasks. We argue that the interpretable nature of language often provides a much richer learning medium for LLMs, compared to policy gradients derived from sparse, scalar rewards. To test this, we introduce GEPA (Genetic-Pareto), a prompt optimizer that thoroughly incorporates natural language reflection to learn high-level rules from trial and error. Given any AI system containing one or more LLM prompts, GEPA samples trajectories (e.g., reasoning, tool calls, and tool outputs) and reflects on them in natural language to diagnose problems, propose and test prompt updates, and combine complementary lessons from the Pareto frontier of its own attempts. As a result of GEPA's design, it can often turn even just a few rollouts into a large quality gain. Across six tasks, GEPA outperforms GRPO by 6% on average and by up to 20%, while using up to 35x fewer rollouts. GEPA also outperforms the leading prompt optimizer, MIPROv2, by over 10% (e.g., +12% accuracy on AIME-2025), and demonstrates promising results as an inference-time search strategy for code optimization. We release our code at https://github.com/gepa-ai/gepa.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Web-Based Tools for Data-Informed Remedy Optimization: Software Theory and User Guide

This report documents the development and application of two web-based decision-support tools for pump-and-treat (P&T) groundwater remediation systems: PTOLEMY (Pump-and-Treat Optimized Location Evaluation to Maximize Yields) and OPTIMA (Optimization for Pump-and-Treat Implementation, Management, & Assessment). These tools enhance remedy design and management by leveraging advanced computational methods – specifically deep learning and multi-objective optimization – within a user-friendly platform. By integrating data-driven models with established hydrogeological knowledge, PTOLEMY and OPTIMA enable more efficient evaluation of well placement and operational strategies, helping site managers balance multiple remediation objectives under complex conditions. Both tools are implemented as modules within the SOCRATES (Suite Of Comprehensive Rapid Analysis Tools for Environmental Sites) web platform, which provides data access, visualization, and analytics to support remedy optimization across sites in the U.S. Department of Energy Office of Environmental Management complex. PTOLEMY is a rapid screening module designed to identify promising locations for new extraction wells. It employs a multi-channel three-dimensional convolutional neural network (MC3D-CNN) trained on high-fidelity simulation data to predict the relative performance (in terms of contaminant mass recovery) of potential well sites. Through an interactive web interface, PTOLEMY visualizes the probability of high performance across a site, highlighting areas where an extraction well is likely to yield above-threshold contaminant removal over a multi-year period. PTOLEMY’s map-based displays and exportable results support transparent communication of screening analyses. By focusing attention on the most favorable candidate locations, the tool augments traditional engineering judgment and physics-based modeling, providing a data informed basis for subsequent detailed evaluations. OPTIMA is a multi objective optimization module designed to find wellfield layouts and operating schedules that meet various cleanup goals. It quickly evaluates thousands of candidate setups – combinations of well locations, timing, and rates – and returns a small set of best trade-off options for comparison. At its core, OPTIMA uses a U-Net-based surrogate model – a deep-learning emulator of a groundwater flow and transport simulator – to dramatically accelerate scenario evaluations. Coupling this fast surrogate with the NSGA-II (Non-dominated Sorting Genetic Algorithm II) evolutionary algorithm, OPTIMA explores a wide decision space of well locations and schedules to identify Pareto-optimal solutions that trade off key objectives (e.g., minimizing cleanup time, maximizing contaminant mass removal, and minimizing plume extent). The tool outputs a family of optimal configurations and visualizes their trade-offs (Pareto frontiers of cleanup metrics and maps of optimized well placements). Site managers can use these results to understand the range of viable strategies and to select candidate designs for more detailed verification. OPTIMA is currently under active development and not yet fully released; this guide provides early documentation to support planning and gather user feedback.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2011

Wireless Sensor Networks for Developmental and Flight Instrumentation

Wireless sensor networks (WSN) based on the IEEE 802.15.4 Personal Area Network and ZigBee Pro 2007 standards are finding increasing use in home automation and smart energy markets providing a framework for interoperable software. The Wireless Connections in Space Project, funded by the NASA Engineering and Safety Center, is developing technology, metrics and requirements for next-generation spacecraft avionics incorporating wireless data transport. The team from Stennis Space Center and Mobitrum Corporation, working under a NASA SBIR grant, has developed techniques for embedding plug-and-play software into ZigBee WSN prototypes implementing the IEEE 1451 Transducer Electronic Datasheet (TEDS) standard. The TEDS provides meta-information regarding sensors such as serial number, calibration curve and operational status. Incorporation of TEDS into wireless sensors leads directly to building application level software that can recognize sensors at run-time, dynamically instantiating sensors as they are added or removed. The Ames Research Center team has been experimenting with this technology building demonstration prototypes for on-board health monitoring. Innovations in technology, software and process can lead to dramatic improvements for managing sensor systems applied to Developmental and Flight Instrumentation (DFI) aboard aerospace vehicles. A brief overview of the plug-and-play ZigBee WSN technology is presented along with specific targets for application within the aerospace DFI market. The software architecture for the sensor nodes incorporating the TEDS information is described along with the functions of the Network Capable Gateway processor which bridges 802.15.4 PAN to the TCP/IP network. Client application software connects to the Gateway and is used to display TEDS information and real-time sensor data values updated every few seconds, incorporating error detection and logging to help measure performance and reliability in relevant target environments. Test results from our prototype WSN running the Mobitrum software system are summarized and the implications to the scalability and reliability for DFI applications are discussed. Our demonstration system, incorporating sensors for life support system and structural health monitoring is described along with test results obtained by running the demonstration prototype in relevant environments such as the Wireless Habitat Testbed at Johnson Space Center in Houston. An operations concept for improved sensor process flow from design to flight test is outlined specific to the areas of Environmental Control and Life Support System performance characterization and structural health monitoring of human-rated spacecraft. This operations concept will be used to highlight the areas where WSN technology, particularly plug-and-play software based on IEEE 1451, can improve the current process, resulting in significant reductions in the technical effort, overall cost and schedule for providing DFI capability for future spacecraft. RELEASED -

Alena, Richard↗
DOE OSTI2025

Open Power System Datasets and Open Simulation Engines: A Survey Toward Machine Learning Applications

A major factor behind the success of machine learning (ML) models in multiple domains is the availability and accessibility of large, labeled, and well-organized datasets for training and benchmarking. In comparison, power grid datasets face three major challenges: (i) real-world data is often restricted by regulatory constraints, privacy reasons, or security concerns, making it difficult to obtain and work with; (ii) synthetic datasets, which are created to address these limitations, often have incomplete information and are released using specialized tools, making them inaccessible to the broader community; and, (iii) input-output datasets are difficult to generate through simulation for non-experts because open-source simulators are not known outside the power system community. This survey addresses these challenges by serving as an entry point to publicly available datasets and simulators for researchers venturing in this area. We review the current landscape of open-source power network data, machine models, consumer demand profiles, renewable generation data, and inverter models. We also examine open-source power system simulators, which are crucial for generating high-quality, high-fidelity power grid datasets. We aim to provide a foundation for overcoming data scarcity and advance towards a structured web of datasets and simulators to support the development of ML for power systems.

42 ENGINEERING↗
DOE OSTI2017

Preface to the Special Issue on TOUGH Symposium 2015

The TOUGH Symposium 2015 was held in Berkeley, California, September 28-30, 2015. The TOUGH family of codes, developed at the Energy Geosciences Division of Lawrence Berkeley National Laboratory (LBNL), is a suite of computer programs for the simulation of multiphase and multicomponent fluid and heat flows in porous and fractured media with applications in many geosciences fields, such as geothermal reservoir engineering, nuclear waste disposal, geological carbon sequestration, oil and gas reservoirs, gas hydrate research, vadose zone hydrology and environmental remediation. Since the first release in the 1980s, many modifications and enhancements have been continuously made to TOUGH and its various descendants (iTOUGH2, TOUGH+, TOUGH-MP, TOUGHREACT, TOUGH+HYDRATE, TMVOC...), at LBNL and elsewhere. Today, these codes are used worldwide in academia, government organizations and private companies in problems involving coupled hydrological, thermal, biogeochemical and geomechanical processes. The Symposia, organized every 2-3 years, bring together developers and users for an open exchange on recent code enhancements and applications. In 2015, the Symposium was attended by one hundred participants, representing thirty-four nationalities. This Special Issue in Computers & Geosciences gathers extended versions of selected Symposium proceedings related to (i) recent enhancements to the TOUGH family of codes and (ii) coupled flow and geomechanics processes modeling. In this special issue, a paper by Jung et al. provides a new base version of TOUGH, TOUGH3. This latest version addresses the computational robustness and efficiency needed for the increasing complexity of the simulated processes and the growing size of model domains. Moreover, it consolidates the serial and parallel versions into a single code, hence, inconsistencies between different versions are less likely to occur, and code maintenance and development become more efficient. Finsterle et al. present a review of the capabilities of iTOUGH2 and illustrate the workflow of an integrated simulation-optimization framework. Liu et al. present an approach to reduce the computational cost of performing Bayesian inverse modeling and demonstrate their approach using a synthetic experiment simulated with TOUGH2. Regarding the mesh generation process, the paper by Doughty presents a generalization of the grid-generation algorithm embedded in TOUGH2 (MESHMAKER) to create one-column grids with fractal dimension, useful for representing flow through fractures or highly heterogeneous media with fractal geometry, and also for inverse methods. Sentís and Gable present a module to interface the open source code Lagrit with TOUGH2, that assists in the processes of mesh generation and model setup, and that can be particularly useful for complex geometries and large models. Bonduà et al. present a pre-processing tool (VORO2MESH) that features a full 3D Voronoi approach for structured and unstructured grids, and an enhanced post-processor (TOUGH2Viewer) for the visualization of 3D Voronoi grids. The literature review shows that coupled fluid flow and geomechanics has gained increasing attention in the last years in many geosciences fields. In this context, several codes of the TOUGH family have been successfully coupled with geomechanics software. The paper by Rutqvist presents a review of some of these TOUGH-based geomechanics models, of which the TOUGH-FLAC simulator – presented for the first time in the TOUGH Symposium 2003 – is well-known worldwide and has been used in a large variety of applications, encompassing the application domains of the TOUGH codes. Blanco-Martín et al. present an extension of TOUGH-FLAC to the finite strain framework, motivated by the existence of large strains associated with rock salt deformation in the context of heat-generating nuclear waste disposal. Following a paper published in the Special Issue of the TOUGH Symposium 2012 in this journal, Kim et al. present the current status of the TOUGH-RSBN simulator for coupled hydro-mechanical modeling of hydraulic fracturing using a discrete fracture network approach, and present some validation and demonstration cases. Rinaldi and Nespoli present TOUGH-SEED, an injection-induced seismicity modeling approach using TOUGH2 and a geomechanics stochastic model, and apply it to the Basel EGS project. Finally, Rinaldi et al. use the PEST protocol implemented in iTOUGH2, combined with TOUGH-FLAC as the forward model, to perform inverse modeling for the In Salah CO2 demonstration site in Algeria. Using pore pressures and InSAR displacements as observations, this approach allows for a multi-physics joint inversion and takes advantage of the inverse capabilities of iTOUGH2 (parameter estimation, sensitivity analysis, uncertainty estimation …), applied to coupled fluid flow and geomechanics. On behalf of the members of the TOUGH Symposium 2015 Organizing Committee, I hope that this collection of papers will provide the readers of Computers & Geosciences with a recent view of the capabilities of the TOUGH family of codes, as well as with current modeling research domains in the geosciences. Last but not least, I would like to express my gratitude to all the reviewers who kindly contributed to this Special Issue, as well as the Journal staff who have made this publication possible.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2018

Direct Current Arc-Flash Hazards of Solar Photovoltaic Systems

An arc-flash is a rapid release of thermal energy, pressure waves, and electromagnetic interference from a high-power electrical system, caused by such events as unintentional shorting or equipment malfunction. Arc-flashes are hazardous to people and equipment. Incident energy (IE) is a means of quantifying the degree of thermal hazard posed by an arc-flash event. The calculated IE value dictates what level of personal protective equipment (PPE) workers are required to wear when servicing equipment. Overly burdensome PPE may increase a worker’s discomfort and decrease dexterity, which could lead to unintentional shorting, while inadequate PPE also comes with increased safety risks. The majority of arc-flash research to date has focused on alternating current (ac) systems. For example, IE calculations and PPE for ac systems are relatively well understood and have been applied across many equipment types and voltages. IE calculation methodologies in ac systems are backed by a wide range of industry tests and are included in Institute of Electrical and Electronics Engineers (IEEE) and National Fire Protection Association (NFPA) standards. However, very little is known about direct current (dc) arc-flash and its hazards. This is a significant knowledge gap, as an increasing number of dc systems are being deployed: solar photovoltaic (PV) plants, battery storage, and electric vehicles and their charging infrastructure. The dc arc-flash hazard publications are rooted primarily in theory, and their IE calculation methods contradict each other. Insufficient knowledge and data are preventing the formation of industry consensus and standards around dc arc-flash hazard assessment. Here, this white paper highlights the current status and research opportunities for assessing arc-flash hazards in dc systems, with a focus on PV plants. The nonlinear current-voltage characteristics of PV modules make them unique in comparison to other linear dc sources, such as batteries. Also, PV equipment has rapidly evolved from 600 Vdc to 1,500 Vdc (in the United States), increasing potential arc-flash hazards. The operating regime of a PV-array within its I-V characteristic curve during an arc-flash event and the sustainability of arc-flash events in a utility-scale PV plant need to be investigated. Arc-flash experiments on a 1-MWdc nameplate capacity utility-owned ground-mount photovoltaic plant suggest that the PV array acts as a constant-current supply with currents near the short-circuit portion of the I-V characteristic curve of the array, with median arc voltage as 1/3 of the rated voltage. Various engineering software packages (CYME7 by EATON, PTW by SKM, ArcFlash™ by EasyPower, ETAP, and so on) have started offering dc arc-flash calculation features to estimate the risk of arc-flash in dc and PV systems. However, they are reliant on the same simplified arc-flash models, which contradict each other due to differences in assumptions such as characteristics of the power source, arc current, voltage and impedance, arc-operating regime, and so on. Physical arc-flash testing and improved physics-based modeling with correct assumptions representing practical scenarios are two methods to improve understanding and quantify the risks associated with dc arc-flash hazards. The results would inform development of a more accurate calculation procedure for IE and proper PPE levels.

14 SOLAR ENERGY↗