MATPLAN: A probability-based planning tool for cost-effective grid integration of renewable energy
Not provided.
Energy & Fuels↗
SEARCH · Search NASA
Results for “science planning tool”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Multiple Indicators of Extreme Changes in Snow-Dominated Streamflow Regimes, Yakima River Basin Region, USA
Snow plays a major role in the hydrological cycle. Variations in snow duration and timing can have a negative impact on water resources. Excluding predicted changes in snowmelt rates and amounts could result in deleterious infrastructure, military mission, and asset impacts at military bases across the US. A change in snowpack can also lead to water shortages, which in turn can affect the availability of irrigation water. We performed trend analyses of air temperature, snow water equivalent (SWE) at 22 SNOTEL stations, and streamflow extremes for selected rivers in the snow-dependent and heavily irrigated Yakima River Basin (YRB) located in the Pacific Northwest US. There was a clear trend of increasing air temperature in this study area over a 30 year period (water years 1991–2020). All stations indicated an increase in average air temperatures for December (0.97 °C/decade) and January (1.12 °C/decade). There was also an upward trend at most stations in February (0.28 °C/decade). In December–February, the average air temperatures were 0.82 °C/decade. From these trends, we estimate that, by 2060, the average air temperatures for December–February at most (82%) stations will be above freezing. Furthermore, analysis of SWE from selected SNOTEL stations indicated a decreasing trend in historical SWE, and a shift to an earlier peak SWE was also assumed to be occurring due of the shorter snow duration. Decreasing trends in snow duration, rain-on-snow, and snowmelt runoff also resulted from snow modeling simulations of the YRB and the nearby area. We also observed a shift in the timing of snowmelt-driven peak streamflow, as well as a statistically significant increase in winter maximum streamflow and decrease in summer maximum and minimum streamflow trends by 2099. From the streamflow trends and complementary GEV analysis, we show that the YRB basin is a system in transition with earlier peak flows, lower snow-driven maximum streamflow, and higher rainfall-driven summer streamflow. This study highlights the importance of looking at changes in snow across multiple indicators to develop future infrastructure and planning tools to better adapt and mitigate changes in extreme events.
54 ENVIRONMENTAL SCIENCES↗
Quantifying the economic costs of power outages owing to extreme events: A systematic review
Quantifying the economic cost of long-duration power outages is crucial to justifying investments in resiliency and reliability improvements. However, extensive study on the subject complicates the identification of power outage costs and determining the most suitable approach to quantify them for an individual, specific facility, particularly in the context of extreme events. Here, this research provides a systematic review of economic studies estimating the impact of environmental disasters at the microeconomic and macroeconomic levels. Of 326 articles, evaluating the costs of power outages in extreme events, this work identified 22 studies that attempted to quantify the economic costs. These findings indicate that quantifying power outage costs lacks standardization, posing challenges for comparing different studies. Most analyses aiming to quantify these costs for utilities, sectors, and the overall economy rely on outdated survey data, which offer generalized rather than specific cost estimations. The costs of power outages exhibit a significant dependence on factors such as the sector involved, the type of customer affected, and the outage duration. To quantify industry costs, the research in this study suggests that using the National Renewable Energy Laboratory's online, open-access Customer Damage Function Calculator is the best option for individual-level assessments of industries, hospitals, offices, education centers, and similar facilities. However, the Interruption Cost Estimate Calculator can estimate outage costs across industrial, commercial, and residential sectors for macroeconomic outcomes. Finally, this article discusses the relative strengths of these methods and tools and the potential directions for future research.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
ChemGraph as an agentic framework for computational chemistry workflows
Atomistic simulations are essential in chemistry and materials science but remain challenging to run due to the expert knowledge required for the setup, execution, and validation stages of these calculations. We present ChemGraph, an agentic framework powered by artificial intelligence and state-of-the-art simulation tools to streamline and automate computational chemistry and materials science workflows. ChemGraph leverages graph neural network-based foundation models for accurate yet computationally efficient calculations and large language models (LLMs) for natural language understanding, task planning, and scientific reasoning to provide an intuitive and interactive interface. We evaluate ChemGraph across 13 benchmark tasks and demonstrate that smaller LLMs (GPT-4o-mini, Claude-3.5-haiku, Qwen-2.5-14B) perform well on simple workflows, while more complex tasks benefit from using larger models. Importantly, we show that decomposing complex tasks into smaller subtasks through a multi-agent framework enables GPT-4o to reach perfect accuracy and smaller LLMs to match or exceed single-agent GPT-4o's performance in these benchmarks.
Computational chemistry↗
Quantifying air quality co-benefits to industrial decarbonization: the local Air Emissions Tracking Atlas
Many decarbonization technologies have the added co-benefit of reducing short-lived climate pollutants, such as particulate matter (PM), nitrogen oxides (NO x ), and sulfur dioxide (SO 2 ), creating a unique opportunity for identifying strategies that promote both climate change solutions and opportunities for air quality improvement. However, stakeholders and decision-makers may struggle to quantify how these co-benefits will impact public health for the communities most affected by industrial air pollution. To address this problem, the LOCal Air Emissions Tracking Atlas (LOCAETA) fills a data availability and analysis gap by providing estimated air quality benefits from industrial decarbonization options, such as carbon capture and storage (CCS). These co-benefits are calculated using an algorithm that connects disparate datasets that separately report greenhouse gas emissions and other pollutants at U.S. industrial facilities. Version 1.0 of LOCAETA displays the estimated primary PM 2.5 emission reduction co-benefits from additional pretreatment equipment for CCS on industrial and power facilities across the state of Louisiana, as well as the potential for VOC and NH 3 generation. The emission reductions are presented in the tool alongside facility pollutant emissions information and relevant air quality, environmental, demographic, and public health datasets, such as air toxics cancer risk, satellite and in situ pollutant measurements, and population vulnerability metrics. LOCAETA enables regulators, policymakers, environmental justice communities, and industrial and commercial users to compare and contrast quantifiable public health benefits due to air quality impacts from various climate change mitigation strategies using a free and publicly-available tool. Additional pollutant reductions can be calculated using the same methodology and will be available in future versions of the tool.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
Critical Infrastructure Decision-Making under Long-Term Climate Hazard Uncertainty: The Need for an Integrated, Multidisciplinary Approach
U.S. critical infrastructure assets are often designed to operate for decades, and yet long-term planning practices have historically ignored climate change. With the current pace of changing operational conditions and severe weather hazards, research is needed to improve our ability to translate complex, uncertain risk assessment data into actionable inputs to improve decision-making for infrastructure planning. Decisions made today need to explicitly account for climate change – the chronic stressors, the evolution of severe weather events, and the wide-ranging uncertainties. If done well, decision making with climate in mind will result in increased resilience and decreased impacts to our lives, economies, and national security. We present a three-tier approach to create the research products needed in this space: bringing together climate projection data, severe weather event modeling, asset-level impacts, and contextspecific decision constraints and requirements. At each step, it is crucial to capture uncertainties and to communicate those uncertainties to decision-makers. While many components of the necessary research are mature (i.e., climate projection data), there has been little effort to develop proven tools for long-term planning in this space. The combination of chronic and acute stressors, spatial and temporal uncertainties, and interdependencies among infrastructure sectors coalesce into a complex decision space. By applying known methods from decision science and data analysis, we can work to demonstrate the value of an interdisciplinary approach to climate-hazard decision making for longterm infrastructure planning.
29 ENERGY PLANNING, POLICY, AND ECONOMY↗
w22_laser_radiography - Laser-Based MeV Radiography
This project seeks to develop novel x-ray sources based on high-power short-pulse lasers with unique advantages, including small spot size, flexible configuration, and tailorable spectra. Kinetic plasma simulations using the VPIC particle in cell code will be performed to support the R&D goals of this project. If successful, this effort will allow LANL to deploy flexible, compact x-ray sources for static tomographic radiography and dynamic multi-axis radiography at our firing sites and facilities such as pRad and U1a. The higher resolution, shorter pulse duration, and tunability of our proposed sources will enable new applications in the weapons program and broader scientific community. This effort advances the LANL FY22 Strategic Investment Plan priority of “[r]adiographic tools for dynamic and static imaging with improved spatial and temporal resolution, sensitivity, and dose.”
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
Development of PNNL’s Plutonium Metallography Capability
The goal of this project was to develop plutonium metallography capabilities and establish workflows for characterization at PNNL’s Radiological Processing Facility (RPL). Developing and expanding on this capability opens more opportunities for PNNL to better support science through collaborations with other labs, plants, and sites withing the Department of Energy Complex and through programs within the National Nuclear Security Administration. This project established metallography equipment in an air glovebox, polishing protocols, as well as radiological and facility controls and procedures so that gram quantities of plutonium metal could be analyzed on multiple characterization tools. Data was collected and analyzed on two different delta phase plutonium - Gallium samples and a calciothermically reduced alpha plutonium metal using a combination of optical and electron microscopy, powder X-ray diffraction, and atom probe tomography. This report highlights the metallography capabilities, some preliminary data collections, and plans at PNNL to support plutonium material science.
36 MATERIALS SCIENCE↗
OpenUniverse2024: a shared, simulated view of the sky for the next generation of cosmological surveys
The OpenUniverse2024 simulation suite is a cross-collaboration effort to produce matched simulated imaging for multiple surveys as they would observe a common simulated sky. Both the simulated data and associated tools used to produce it are intended to uniquely enable a wide range of studies to maximize the science potential of the next generation of cosmological surveys. We have produced simulated imaging for approximately 70 deg 2 of the Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST) Wide-Fast-Deep survey and the Nancy Grace Roman Space Telescope High-Latitude Wide-Area Survey, as well as overlapping versions of the ELAIS-S1 Deep-Drilling Field for LSST and the High-Latitude Time-Domain Survey for Roman. OpenUniverse2024 includes (i) an early version of the updated extragalactic model called Diffsky, which substantially improves the realism of optical and infrared photometry of objects, compared to previous versions of these models; (ii) updated transient models that extend through the wavelength range probed by Roman and Rubin; and (iii) improved survey, telescope, and instrument realism based on up-to-date survey plans and known properties of the instruments. It is built on a new and updated suite of simulation tools that improves the ease of consistently simulating multiple observatories viewing the same sky. The approximately 400 TB of synthetic survey imaging and simulated universe catalogs are publicly available, and we preview some scientific uses of the simulations.
large-scale structure of Universe↗
Science of the Van Allen Probes Science Operations Centers
The Van Allen Probes mission operations materialized through a distributed model in which operational responsibility was divided between the Mission Operations Center (MOC) and separate instrument specific SOCs. The sole MOC handled all aspects of telemetering and receiving tasks as well as certain scientifically relevant ancillary tasks. Each instrument science team developed individual instrument specific SOCs proficient in unique capabilities in support of science data acquisition, data processing, instrument performance, and tools for the instrument team scientists. In parallel activities, project scientists took on the task of providing a significant modeling tool base usable by the instrument science teams and the larger scientific community. With a mission as complex as Van Allen Probes, scientific inquiry occurred due to constant and significant collaboration between the SOCs and in concert with the project science team. Planned cross-instrument coordinated observations resulted in critical discoveries during the seven-year mission. Instrument cross-calibration activities elucidated a more seamless set of data products. Specific topics include post-launch changes and enhancements to the SOCs, discussion of coordination activities between the SOCs, SOC specific analysis software, modeling software provided by the Van Allen Probes project, and a section on lessons learned. One of the most significant lessons learned was the importance of the original decision to implement individual team SOCs providing timely and well-documented instrument data for the NASA Van Allen Probes Mission scientists and the larger magnetospheric and radiation belt scientific community.
47 OTHER INSTRUMENTATION↗
Lighting for Health and Wellness Recommendations in Offices: A Circadian Lighting Pilot Project in Chicago, IL
In 2019 Cook County initiated a request for proposals for a pilot project aimed at designing and specifying an advanced tunable lighting system for government offices in Chicago, Illinois. The primary goal of the project was to replace the existing tubular LED (TLED) lighting system with a lighting system that supported the circadian rhythms and wellbeing their office employees. A secondary goal was to evaluate the potential impacts of the new lighting system, informing Cook County’s internal workplace design standards. Schuler Shook, a Chicago-based lighting design firm, was awarded the Circadian Lighting Pilot Project in October 2019 and invited Pacific Northwest National Laboratory (PNNL) to contribute as a research partner. Based on the initial project goals, Schuler Shook and PNNL established design objectives that would enable a human factors study in the office spaces, investigating the benefits and drawbacks of using a tunable LED lighting system to meet existing recommendations for lighting and health. The following report details the lighting design process through design development, with summaries of the relevant circadian lighting metrics, simulation tools, energy considerations, and research plan for the Circadian Lighting Pilot Project.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
An agentic artificially intelligent X-ray scientist
Executing experimental tasks in both normal research laboratories and large-scale scientific facilities often requires extensive human supervision and remains a key challenge on the path to fully autonomous, artificial intelligence (AI)-driven science. Here we demonstrate a large language model-driven agent that autonomously performs X-ray sample alignment on a synchrotron beamline by planning actions, executing instrumental commands, interpreting observations and iterating towards experimental goals. Based on existing large language models with structured tool-use via the model context protocol, our AI X-ray scientist was guided and tested using an in-house-built virtual experimental setup that mirrors a six-circle diffractometer at an operational synchrotron beamline. The agentic workflow developed in the virtual environment was directly deployed on a real beamline, where it correctly identified reference reflections and determined the orientation matrix, an essential first step in any type of single-crystal scattering experiment. Our AI X-ray scientist responded effectively to unexpected experimental conditions, demonstrating adaptive problem-solving and readiness for addressing practical experimental situations. Our study provides a step towards autonomous operation across diverse experimental environments at large-scale scattering facilities.
Chen, Zhantao (ORCID:0000000319543868)↗
KBase partners with community developers from several Department of Energy Science Focus Areas to increase functionality of tools and analysis
Several SFAs were selected for training on the KBase Software Development Kit (SDK) to integrate tools and data into the KBase platform. Overall, the collaborative effort was viewed as highly successful. Every SFA project was able to achieve their proposed targets for training and functionality, while also gaining an appreciation for the role KBase plays/could play in their future science plans. Both the SFA and KBase teams felt that continued collaboration would be beneficial, especially if the programs were able to jointly prioritize scope and readiness of future projects. This poster will outline the scope of functionality added by SFA community developers, and highlight points of intersection across these efforts.
59 BASIC BIOLOGICAL SCIENCES↗
FY25 Electric Grid Security Annual Report
Sandia’s Electric Grid Security program advances a national vision of energy dominance and accessibility, while applying our national security -emphasis on ensuring of a secure, resilient, and affordable electric system for all users. Our achievements reflect a strategic approach combining technology development; modeling, simulation, and data analytics; and partnered demonstrations and outreach to further the adoption of advanced grid and storage technologies. Our FY25 efforts leverage the strengths of our partnerships—spanning Sandia’s core science and technology competencies as well as external technology leaders—to develop the solutions today which enable the grid of tomorrow. Key accomplishments in this report that support our strategy span our technical program areas and include: • New open-source analytical tools for systems -level planning and optimization, including significant advances to the QuESt analytical environment; • Further advancement of artificial intelligence and machine learning to enhanced grid operations and planning as we rise to the challenge of new large loads; • Development of solid-state power conversion technologies and a new medium-voltage research lab; • New technologies to assess wildfire vulnerabilities and mitigate potential impacts; • Advanced applications of new cybersecurity technologies with industry partners; • Contributions to understanding the impacts of electromagnetic pulses and geomagnetic disturbances on grid components; and • Digital twin development for hybrid microgrids with multiple generators, storage, and loads. This report indicates key areas of research and engagement and summarizes the impact of Sandia’s contributions through notable accomplishments, journal publications, patents, and technical conferences and presentations. It is provided with the hope that readers discover ways we can further team to create our modern grid and apply the outcomes of our efforts. The bulk of work described herein is funded by several offices within the U.S. Department of Energy (USDOE), including the Office of Electricity (OE); Cybersecurity, Energy Security, and Emergency Response (CESER); former offices such as the Office of Energy Efficiency and Renewable Energy (EERE), the Grid Deployment Office (GDO), the Office of Clean Energy Demonstrations (OCED), and other key programs at USDOE. As we continue to state in these annual reports, the contributors to our successes are too numerous to name here, though our team wishes to express our deep gratitude to the numerous program and project sponsors at the US Department of Energy, who often function equally as technical collaborators; our many partners in industry, academia, utilities, and other national labs; and fellow researchers and business partners at Sandia whose leadership and creativity have enabled the accomplishments described herein.
24 POWER TRANSMISSION AND DISTRIBUTION↗
Post Conference Activities for the NCSE 2019 Annual Conference: Sustainable Infrastructure & Resilience
The National Council for Science and the Environment (NCSE) held its 19th Annual Conference from January 7-10, 2019. The NCSE 2019 Annual Conference: Sustainable Infrastructure & Resilience explored how systems thinking that includes tools, data, and synthesis effectively supports the increasingly urgent need to advance a more resilient, sustainable society. Nearly 600 participants from a range of scientific disciplines and sectors including natural and social science, humanities, engineering, government, business, and civil society attended the conference. Post-conference activities planned through this project were planned to extend the impact of the Annual Conference and were made possible through support from the Department of Energy. These efforts included: 1) developing and producing a research pilot on Energy Systems and Resilient Infrastructure, which advances research focused on the better alignment of education and workforce needs with respect to energy resilience; 2) facilitating dialogue and in-person convenings with the Energy Education Community of Practice across the broader NCSE research community; and 3) designing and hosting a webinar series focused on the role of science in infrastructure and resilience. This report summarizes the outcomes of the proposed activities and additional work made possible by support from the Department of Energy.
54 ENVIRONMENTAL SCIENCES↗
Application of automated network generation for retrosynthetic planning of potential corrosion inhibitors
This work uses automated network generation, specifically the Python-based tool Pickaxe, for retrosynthetic planning towards making potential corrosion inhibitors from a pool of candidate bioprivileged molecules.
Chemistry↗
Lighting for Health and Wellness Recommendations in Offices: A Circadian Lighting Pilot Project in Chicago, IL
A report that details the lighting design process for a lighting system aiming to meet relevant circadian lighting metric recommendations and includes a comparison of simulation tools, a discussion of energy considerations, and a research plan for a Circadian Lighting Pilot Project cut short by the pandemic.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
Enabling Capabilities and Resources: 2024 Principal Investigator Meeting Proceedings
As a major supporter of basic genome-enabled research, BER’s Biological Systems Science Division (BSSD) fosters scientific discovery by funding - fundamental biological research across disciplines in conjunction with enabling investigational tools and computational capabilities that include world-class user facilities. The overarching goal of BSSD is to provide the necessary fundamental science to understand, predict, manipulate, and design biological systems that underpin innovations for bioenergy and bioproduct production and enhance understanding of natural, DOE-relevant environmental processes (Biological Systems Science Division Strategic Plan, 2021). To accelerate the U.S. bioeconomy, BSSD pursues innovative science underpinning advances in sustainable biofuels and bioproducts and the development of next-generation technologies and computational resources for systems biology research. The 2024 BSSD Enabling Capabilities and Resources (ECR) Principal Investigator (PI) meeting brought together PIs across the BSSD ECR portfolio to confer on shared interests and opportunities. The meeting was held concurrently with the Genomic Science program (GSP) PI meeting to optimize collaboration on research to advance bioenergy and the bioeconomy. Rick Stevens of Argonne National Laboratory gave a keynote on How Generative Artificial Intelligence Can Impact Biological Research (see Keynote: How Generative Artificial Intelligence Can Impact Biological Research, this page). Plenary presentations included several joint sessions that illuminated the integration and understanding of the larger BSSD mission. GSP’s objective is to provide systems-level understanding of plants, microbes, and their communities through its Bioenergy Research, Biosystems Design, and Environmental Microbiome Research portfolios. The objective of the ECR portfolio is to support development of computational and instrumental platforms to advance fundamental GSP research—and BER more broadly— toward the overall goal of understanding the functional principles of living systems and their response to environmental challenges.
59 BASIC BIOLOGICAL SCIENCES↗