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DOE OSTI2024

Geothermal Power Systems Analysis: Outcome of Industry Stakeholders Workshop: Preprint

Geothermal cost and performance evaluation implemented via technoeconomic assessment (TEA) modeling is critical for the Department of Energy (DOE) and other geothermal industry stakeholders in assessing the current state of geothermal technologies and to identify existing hurdles to commercially viable geothermal development. The Geothermal Electricity Technology Evaluation Model (GETEM) is a major TEA tool used in estimating the economic feasibility and levelized cost of energy (LCOE) of conventional hydrothermal systems and enhanced geothermal systems (EGS). Since 2021, GETEM has been transitioning from an intricate spreadsheet model to a user-friendly tool within the System Advisor Model (SAM) developed by the National Renewable Energy Laboratory (NREL). Apart from enabling an expanded visibility of the geothermal model among other renewable resources, having GETEM in SAM has the advantage of simulation automation, better usability, updates tracking, active user inputs/feedback, and extended financial modeling. GETEM is used in developing supply curves for the Annual Technology Baseline (ATB). The ATB data are inputs to the Renewable Energy Potential (reV) and the Regional Energy Deployment System (ReEDS) models. The geothermal module in NREL’s reV model assesses the geothermal energy potential in the conterminous United States by defining the geospatial intersection of geothermal resources with existing grid infrastructure within the constraint of land use characteristics. The ReEDS model is a capacity expansion model used for simulating the long-term build-out and operation of the US generation and transmission system based on current energy costs and policies. To ensure enhanced representation of current industry trends in our model transitions and development, we organized a two-day virtual workshop to elicit geothermal industry stakeholder input and recommendations on our current approaches and assumptions on technoeconomic, resource assessment, and deployment scenarios modeling of geothermal technologies. Participants included developers, operators, investors, regulatory agencies, system modelers, national laboratory researchers, consultants, and other stakeholders. In this workshop, we gained stakeholder insights on current geothermal plant performance (i.e., capacity factors), updated drilling costs and learning curves, and next generation technologies such as closed loop and superhot rock geothermal. Other outcomes from this workshop and its impact on future geothermal development feasibility, resource availability, and capacity expansion studies are compiled and discussed.

Annual Technology Baseline↗

DOE OSTI2025

Geothermal Power Systems Analysis: Outcome of Industry Stakeholders Workshop

Geothermal cost and performance evaluation implemented via techno-economic assessment (TEA) modeling is critical for the U.S. Department of Energy (DOE) and other geothermal industry stakeholders in assessing the current state of geothermal technologies and to identify existing hurdles to commercially viable geothermal development. The Geothermal Electricity Technology Evaluation Model (GETEM) is a major TEA tool used in estimating the economic feasibility and levelized cost of energy (LCOE) of conventional hydrothermal systems and enhanced geothermal systems (EGS). Since 2021, GETEM has been transitioning from an intricate spreadsheet model to a user-friendly tool within the System Advisor Model (SAM) developed by the National Renewable Energy Laboratory (NREL). Apart from enabling an expanded visibility of the geothermal model among other renewable resources, having GETEM in SAM has the advantage of simulation automation, better usability, updates tracking, active user inputs/feedback, and extended financial modeling. GETEM is used in developing supply curves for NREL's Annual Technology Baseline (ATB), which provides inputs to the Renewable Energy Potential (reV) and the Regional Energy Deployment System (ReEDS) models. The geothermal module in NREL's reV model assesses the geothermal energy potential in the conterminous United States by defining the geospatial intersection of geothermal resources with existing grid infrastructure within the constraint of land use characteristics. The ReEDS model is a capacity expansion model used for simulating the long-term build-out and operation of the U.S. generation and transmission system based on current energy costs and policies. To ensure enhanced representation of current industry trends in our model transitions and development, we organized a two-day virtual workshop to elicit geothermal industry stakeholder input and recommendations on our current approaches and assumptions on techno-economic, resource assessment, and deployment scenarios modeling of geothermal technologies. Participants included developers, operators, investors, regulatory agencies, system modelers, national laboratory researchers, consultants, and other stakeholders. In this workshop, we gained stakeholder insights on current geothermal plant performance (i.e., capacity factors), updated drilling costs and learning curves, and next-generation technologies such as closed-loop and superhot rock geothermal. Other outcomes from this workshop and its impact on future geothermal development feasibility, resource availability, and capacity expansion studies are compiled and discussed.

annual technology baseline↗

DOE OSTI2023

Enhanced Component Performance Study: Air Operated Valves 1998–2022

This report presents an enhanced performance evaluation of air operated valves (AOVs) at U.S. commercial nuclear power plants. The data used in this study are based on the operating experience failure reports from calendar year 1998 through 2022 as reported in the Institute of Nuclear Power Operations (INPO) Industry Reporting and Information System (IRIS). The AOV failure modes considered are fail to open or close (FTOC), fail to operate or control (FTOP), and spurious operation (SO). The component reliability estimates and the reliability data are trended for the most recent 10 year period while yearly estimates for reliability are provided for the entire study period. The following increasing trends were identified for AOVs for the most recent 10 year period: • Low demand AOV frequency of FTOC demands (demands per reactor year) • High demand AOV frequency of FTOC demands. The following decreasing trends were identified for AOVs for the most recent 10 year period: • Low demand AOV FTOC failure probability • Low demand AOV FTOP failure rate • Low demand AOV frequency of FTOC events (failures per reactor year) • Low demand AOV frequency of FTOP events.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2025

A Practical Comparison of Data-Driven Prognostics Methods for Energy Systems

This study explores data-driven prognostics for nuclear power plant (NPP) condensers, focusing on tube fouling. We utilized the Asherah nuclear power plant simulator (ANS) to compare four methods: Random Forest (RF), Support Vector Regressor (SVR), Fully Connected Neural Network (FCNN), and Long Short-Term Memory Neural Network (LSTM). By simulating various fouling scenarios in the ANS, we generated data with different degradation rates under transient operations. The models were trained and tested on these data, with performance evaluated visually and numerically including uncertainty assessment. The LSTM model excelled, exhibiting minimal prediction noise and the most accurate remaining useful life estimates across all degradation levels. Its ability to capture long-term dependencies and produce cleaner outputs makes it a strong candidate, although accurate training data across the entire component lifespan are crucial. The RF model emerged as a robust alternative, providing reliable predictions with high confidence. The FCNN and SVR models, while less effective overall, showed potential under specific conditions. FCNN offers a less complex alternative to LSTM and might benefit from larger datasets. SVR excels in precision when the quality of the training data is high. Furthermore, this study highlights the operational benefits of advanced prognostics in the energy sector and emphasizes the need for further research in NPP condenser health management through real-life experiments.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

Package Performance Study: A Historical Perspective and Planning for a Path Forward

The topic of spent nuclear fuel (SNF) transportation often draws public attention and concerns regarding safety, and with large-scale shipping campaigns expected in the future, public interest is anticipated to substantially increase. In 1999, the U.S. Nuclear Regulatory Commission (NRC) began an initiative called the Package Performance Study (PPS) that initially focused on SNF transportation cask responses to severe transportation accidents. A public participation approach was to be used to help guide the scope and parameters of the study, which was also to consider using full-scale physical testing of a SNF transportation cask, where appropriate. In 2010, the NRC decided not to go forward with physical testing as proposed. In 2006, the National Academy of Sciences (NAS) conducted a study on SNF and high-level radioactive waste transportation in the United States. The NAS study recommended that full-scale cask testing, as well as other accepted methodologies, continue to be used as part of the package performance evaluation. In 2012, the Blue Ribbon Commission on America’s Nuclear Future (BRC) recommended conducting the PPS with a full-scale rail transportation cask for the purpose of building public trust and confidence in the safety of SNF transport. In 2021, the U.S. Department of Energy (DOE) restarted a consent-based siting process, focusing on how to site federal facilities for the interim consolidated storage of SNF using a consent-based approach. Large-scale SNF transportation would be necessary for any such interim storage facility. As the planning activities begin for future large-scale shipping campaigns, the DOE is considering options for conducting a DOE-led PPS to help build public trust and confidence in the transportation of SNF. Therefore, the DOE is gathering information related to the previous NRC-led PPS efforts, as well as applicable international experience with the testing of SNF packages. This paper discusses previous NRC efforts, as well as the current status of a DOE-led PPS, which is in the early planning stages.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Enhanced Component Performance Study: Motor-Operated Valves 1998-2024

This report presents an enhanced performance evaluation of motor-operated valves (MOVs) at U.S. commercial nuclear power plants. The data used in this study are based on the operating experience failure reports from calendar year 1998 through 2024 as reported in the Institute of Nuclear Power Operations (INPO) Industry Reporting and Information System (IRIS). The MOV failure modes considered are fail to open or close (FTOC), fail to operate or control (FTOP), and spurious operation (SO). The component reliability estimates and the reliability data are trended for the most recent 10-year period while yearly estimates for reliability are provided for the entire study period. The following increasing trend was identified for MOVs for the most recent 10-year period: • Low-demand MOV frequency of FTOC demands (demands per reactor year). The following decreasing trends were identified for MOVs for the most recent 10-year period: • Low-demand MOV FTOC failure probability • High-demand MOV SO failure rate • Low-demand MOV frequency of FTOC events (failures per reactor year) • High-demand MOV frequency of SO events (failures per reactor year).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2023

Enhanced Component Performance Study: Turbine Driven Pumps 1998–2022

This report presents an enhanced performance evaluation of turbine driven pumps (TDPs) at U.S. commercial nuclear power plants. The data used in this study are based on the operating experience failure reports from calendar year 1998 through 2022 as reported in the Institute of Nuclear Power Operations (INPO) Industry Reporting and Information System (IRIS). The TDP failure modes considered for standby systems are fail to start (FTS), fail to run (FTR) for one hour of operation (FTR=1H), FTR after one hour of operation (FTR>1H), and for normally running systems FTS and FTR. An eight hour unreliability estimate is also calculated and trended. The component reliability estimates and the reliability data are trended for the most recent 10 year period while yearly estimates for reliability are provided for the entire study period. No increasing trends were identified for TDPs for the most recent 10 year period: The following decreasing trends were identified for TDPs for the most recent 10 year period: • Standby TDP FTR>1H failure rate • Normally running TDP FTR failure rate • Standby TDP unavailability • Standby MDP total unreliability (8-hour mission) • Standby TDP frequency of start demands (demands per reactor year) • Standby TDP frequency of FTR=1H hours (hours per reactor year) • Standby TDP frequency of FTR>1H events (failures per reactor year) • Normally running TDP frequency of start demands • Normally running TDP frequency of run hours • Normally running TDP frequency of FTR events.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2022

Enhanced Component Performance Study: Motor-Driven Pumps 1998-2020

This report presents an enhanced performance evaluation of motor-driven pumps (MDPs) at U.S. commercial nuclear power plants. The data used in this study are based on the operating experience failure reports from calendar year 1998 through 2020 as reported in the Institute of Nuclear Power Operations (INPO) Industry Reporting and Information System (IRIS). The MDP failure modes considered for standby systems are fail to start (FTS), fail to run (FTR) for one hour of operation (FTR≤1H), FTR after one hour of operation (FTR>1H), and for normally running systems FTS and FTR. An eight-hour unreliability estimate is also calculated and trended. The component reliability estimates and the reliability data are trended for the most recent 10-year period while yearly estimates for reliability are provided for the entire study period. The following increasing trends were identified for MDPs for the most recent 10-year period: • Standby MDP frequency of start demands (demands per reactor year) • Standby MDP frequency of FTR≤1H hours (hours per reactor year) • Standby MDP frequency of FTR>1H hours • Normally running MDP frequency of run hours. The following decreasing trends were identified for MDPs for the most recent 10-year period: • Standby MDP FTR≤1H failure probability • Normally running MDP FTR failure rate • Standby MDP unavailability • Normally running MDP total unreliability (8-hour mission) • Standby MDP frequency of FTR≤1H events (failures per reactor year) • Normally running MDP frequency of FTR events.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2022

Enhanced Component Performance Study: Air-Operated Valves 1998–2020

This report presents an enhanced performance evaluation of air-operated valves (AOVs) at U.S. commercial nuclear power plants. The data used in this study are based on the operating experience failure reports from calendar year 1998 through 2020 as reported in the Institute of Nuclear Power Operations (INPO) Industry Reporting and Information System (IRIS). The AOV failure modes considered are failure-to-open/close (FTOC), failure to operate or control (FTOP), and spurious operation (SO). The component reliability estimates and the reliability data are trended for the most recent 10-year period while yearly estimates for reliability are provided for the entire study period. The following trends were identified for the most recent 10-year period: o Extremely statistically significant increasing trend for the frequency of FTOC demands (demands per reactor year) for low-demand (= 20 demands per year) AOVs o Extremely statistically significant increasing trend for the frequency of FTOC demands for high-demand (> 20 demands per year) AOVs o Highly statistically significant decreasing trend for the failure rate of FTOP for low-demand AOVs o Highly statistically significant decreasing trend for the frequency of FTOP events (failures per reactor year) for low-demand AOVs o Statistically significant decreasing trend for the failure rate of SO for low-demand AOVs o Statistically significant decreasing trend for the frequency of SO events (failures per reactor year) for low-demand AOVs.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2023

Enhanced Component Performance Study: Motor Driven Pumps 1998–2022

This report presents an enhanced performance evaluation of motor-driven pumps (MDPs) at U.S. commercial nuclear power plants. The data used in this study are based on the operating experience failure reports from calendar year 1998 through 2022 as reported in the Institute of Nuclear Power Operations (INPO) Industry Reporting and Information System (IRIS). The MDP failure modes considered for standby systems are fail to start (FTS), fail to run (FTR) for one hour of operation (FTR=1H), FTR after one hour of operation (FTR>1H), and for normally running systems FTS and FTR. An eight-hour unreliability estimate is also calculated and trended. The component reliability estimates and the reliability data are trended for the most recent 10-year period while yearly estimates for reliability are provided for the entire study period. The following increasing trends were identified for MDPs for the most recent 10-year period: (1) Standby MDP frequency of start demands (demands per reactor year), (2) Standby MDP frequency of FTR=1H hours (hours per reactor year), (3) Standby MDP frequency of FTR>1H hours, and (4) Normally running MDP frequency of run hours. The following decreasing trends were identified for MDPs for the most recent 10-year period: (1) Standby MDP FTR=1H failure probability, (2) Normally running MDP FTR failure rate, (3) Standby MDP unavailability, (4) Standby MDP total unreliability (8-hour mission), and (5) Normally running MDP total unreliability (8-hour mission).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Resource Recovery and Environmental Protection in Wyoming’s Greater Green River Basin Using Selective Nanostructured Membranes (Final Report)

Produced water (PW) represents a sizable waste stream that is co-generated with oil and natural gas production. In 2021 Wyoming ranked 8th and 9th, respectively in domestic oil and natural gas production. In 2017 Wyoming ranked as the 4th highest generator of PW in the U.S, accounting for 7% of the total volume generated. In the context of being the 3rd most arid state in the U.S., the value of water reuse becomes obvious. PW reuse, and resource recovery, in any form requires some level of treatment to remove particulates, residual (free, dispersed) hydrocarbons, organics, and salts. The level of treatment depends on the requirements of the reuse, or resource recovery, application. PW management systems in Wyoming employ in order of volume of PW managed the following management strategies: reinjection for enhanced oil recovery, surface discharge, deep well injection, evaporation ponds (impoundments), and commercial management/treatment. Complicating treatment efforts are the relatively high concentrations of organics (natural and synthetic), dispersed/free hydrocarbons, benzene-toluene-ethylbenzene, and xylenes (BTEX) compounds, biologicals, salts, and minerals. Hydrocarbons (dispersed/dissolved crude oils) and BTEX compounds, as well as synthetic organics, present economic and environmental concerns. The former represents lost revenue, while the latter results in negative environmental impacts like emissions from surface impoundments. The overall objective of this proposal was to synthesize superhydrophilic/oleophobic and superhydrophobic/oleophilic membranes for selectively concentrating and then separating BTEX compounds and oil and grease (O&G) from PW originating from the Greater Green River Basin (GGRB) in Wyoming. Three specific research aims were pursued to accomplish this overall objective. This final report details the development of the superhydrophobic and superhydrophilic membranes, as well as the design of the membrane module prototypes specifically. The technoeconomic assessment is separately reported in another document. 1. Aim #1 – Material optimization and performance evaluation of superhydrophilic/oleophobic and superhydrophobic/oleophilic membranes made by electrospinning/spraying. 2. Aim #2 – Design and construction of cross-flow membrane modules for selectively concentrating and then separating BTEX/oil from GGRB produced water. 3. Aim #3 – Techno-economic assessment of BTEX/oil recovery, and clean water production, using superhydrophilic/oleophobic and superhydrophobic/oleophilic membrane separation for GGRB PW. Superhydrophobic membranes were synthesized by electrospinning poly(vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) nanofibers onto polyester (PET) substrates and electrospraying nano-carbon black/PVDF-HFP onto the nanofibrous layer. These membranes were characterized by high (>8000 liters per square meter per hour per bar (LMH/bar)) permeance values for pure hydrocarbon phases and a high hydrocarbon selectivity (>96%) when treating GGRB PW. All results were obtained when operating the membrane in a crossflow configuration representative of actual field operating conditions. Solvent/oil properties, specifically viscosity and total surface energy/tension, affected permeance across the membrane, which resulted in light mineral oil (394 LMH/bar) and o-xylene (1834 LMH/bar) being characterized by lower permeance values in the pure phase tests. Mixed phase fluxes between 40 to 80 LMH were obtained for the PW when operating the membrane at a feed pressure of 0.3 bar. Flux decreased as the mixed phase concentration in the feed decreased pointing to the importance of maximizing the collision efficiency between the emulsion and the membrane surface and maximizing the emulsion concentration in the feed and the turbulence within the feed channel. These tests demonstrated that the superhydrophobic membranes developed here are a viable hydrocarbon recovery method for GGRB PWs and should be pursued for testing in pilot-scale trials. Superhydrophilic membranes were successfully synthesized via electrospinning/spraying using polyacrylonitrile (PAN) nanofibers as a base nanofibrous matrix. Integration of polyaniline (PANI) into the nanofibrous matrix produced a superior membrane, for water filtration applications, relative to PAN alone and reduced graphene oxide (RGO) when integrated into the nanofibrous matrix. This conclusion was based on the PANI-PAN resistance to flux loss (fouling) when treating model solvent/oil solutions representative of GGRB PWs and field collected PW from the GGRB. The synthesized PAN membranes outperformed a commercially available PAN membrane designed for oil/water separation. This finding indicates that the surface chemical and physical characteristics of the electrospun membranes presents improved properties for filtration of challenging waters like GGRB PWs. The electrospun membranes therefore show promise overall as a substitute for conventionally polymerized membranes in PW treatment applications. The PANI-PAN membrane specifically presents superior performance characteristics for concentration O&G prior to treatment by the hydrocarbon recovery membrane and producing high-quality filtrate for reuse and/or additional treatment (desalination).

02 PETROLEUM↗

DOE OSTI2023

A computational modeling framework for pre-clinical evaluation of cardiac mapping systems

There are a variety of difficulties in evaluating clinical cardiac mapping systems, most notably the inability to record the transmembrane potential throughout the entire heart during patient procedures which prevents the comparison to a relevant “gold standard”. Cardiac mapping systems are comprised of hardware and software elements including sophisticated mathematical algorithms, both of which continue to undergo rapid innovation. The purpose of this study is to develop a computational modeling framework to evaluate the performance of cardiac mapping systems. The framework enables rigorous evaluation of a mapping system’s ability to localize and characterize (i.e., focal or reentrant) arrhythmogenic sources in the heart. The main component of our tool is a library of computer simulations of various dynamic patterns throughout the entire heart in which the type and location of the arrhythmogenic sources are known. Our framework allows for performance evaluation for various electrode configurations, heart geometries, arrhythmias, and electrogram noise levels and involves blind comparison of mapping systems against a “silver standard” comprised of computer simulations in which the precise transmembrane potential patterns throughout the heart are known. A feasibility study was performed using simulations of patterns in the human left atria and three hypothetical virtual catheter electrode arrays. Activation times (AcT) and patterns (AcP) were computed for three virtual electrode arrays: two basket arrays with good and poor contact and one high-resolution grid with uniform spacing. The average root mean squared difference of AcTs of electrograms and those of the nearest endocardial action potential was less than 1 ms and therefore appears to be a poor performance metric. In an effort to standardize performance evaluation of mapping systems a novel performance metric is introduced based on the number of AcPs identified correctly and those considered spurious as well as misclassifications of arrhythmia type; spatial and temporal localization accuracy of correctly identified patterns was also quantified. This approach provides a rigorous quantitative analysis of cardiac mapping system performance. Proof of concept of this computational evaluation framework suggests that it could help safeguard that mapping systems perform as expected as well as provide estimates of system accuracy.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Experiences in porting mini-applications to OpenACC and OpenMP on heterogeneous systems

This article studies mini-applications—Minisweep, GenASiS , GPP, and FF—that use computational methods commonly encountered in HPC. We have ported these applications to develop OpenACC and OpenMP versions, and evaluated their performance on Titan (Cray XK7 with K20x GPUs), Cori (Cray XC40 with Intel KNL), Summit (IBM AC922 with Volta GPUs), and Cori-GPU (Cray CS-Storm 500NX with Intel Skylake and Volta GPUs). Our goals are for these new ports to be useful to both application and compiler developers, to document and describe the lessons learned and the methodology to create optimized OpenMP and OpenACC versions, and to provide a description of possible migration paths between the two specifications. Cases where specific directives or code patterns result in improved performance for a given architecture are highlighted. Here, we also include discussions of the functionality and maturity of the latest compilers available on the above platforms with respect to OpenACC or OpenMP implementations.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Performance of Subyearling Fall Chinook Salmon Tagged with 8-, 9-, and 12-mm Passive Integrated Transponder Tags in the Snake River

Abstract Inferences based on tagged individuals from a population are limited in part by the minimum size of fish that can be tagged. Smaller tags allow a greater proportion of a population to be represented by tagging and should reduce potential tag effects on fish performance. We evaluated different performance metrics of juvenile fall Chinook Salmon Oncorhynchus tshawytscha tagged with 8-, 9-, and 12-mm PIT tags in the Snake River. We did not find evidence that posttagging mortality of 45–49-mm-FL fish tagged with 8-mm tags was higher than the posttagging mortality of larger fish tagged with 9- and 12-mm tags. The incisions of fish tagged with 8-mm tags using 14-guage needles healed faster than those of fish tagged with larger tags using 12-guage needles. For individuals that received 8-mm tags, growth in length and mass was higher for 45–49-mm fish than for 50–59-mm fish and 60-mm and larger fish. Growth of the larger size-classes (50–59 and ≥60 mm) was also generally higher for those tagged with 8-mm tags compared to those tagged with 9- and 12-mm tags, respectively. There were no strong relationships between tag burden (i.e., tag weight expressed as a percentage of fish weight) at the time of tagging and growth metrics for any tag size or fish size-class. Releases made to compare the detection efficiency of the three tag types in the juvenile fish bypass at Lower Granite Dam, Washington, showed that 99–100% of all fish were detected. Survival of fish from rearing areas to Lower Granite Dam generally increased with fish size and varied by year, but there was no strong evidence of a tag size effect. The 8-mm PIT tag allowed us to represent a larger portion (i.e., 6.2–24.1%) of the subyearling fall Chinook Salmon population in the Snake River without compromising fish performance or detectability at the dam.

Tiffan, Kenneth F.↗

DOE OSTI2020

OpenGraphGym: A Parallel Reinforcement Learning Framework for Graph Optimization Problems

This paper presents an open-source, parallel AI environment (named OpenGraphGym) to facilitate the application of reinforcement learning (RL) algorithms to address combinatorial graph optimization problems. This environment incorporates a basic deep reinforcement learning method, and several graph embeddings to capture graph features, it also allows users to rapidly plug in and test new RL algorithms and graph embeddings for graph optimization problems. This new open-source RL framework is targeted at achieving both high performance and high quality of the computed graph solutions. This RL framework forms the foundation of several ongoing research directions, including 1) benchmark works on different RL algorithms and embedding methods for classic graph problems; 2) advanced parallel strategies for extreme-scale graph computations, as well as 3) performance evaluation on real-world graph solutions.

Zheng, Weijian↗

DOE OSTI2022

Transitioning from File-Based HPC Workflows to Streaming Data Pipelines with openPMD and ADIOS2

This paper aims to create a transition path from file-based IO to streaming-based workflows for scientific applications in an HPC environment. By using the openPMP-api, traditional workflows limited by filesystem bottlenecks can be overcome and flexibly extended for in situ analysis. The openPMD-api is a library for the description of scientific data according to the Open Standard for Particle-Mesh Data (openPMD). Its approach towards recent challenges posed by hardware heterogeneity lies in the decoupling of data description in domain sciences, such as plasma physics simulations, from concrete implementations in hardware and IO. The streaming backend is provided by the ADIOS2 framework, developed at Oak Ridge National Laboratory. This paper surveys two openPMD-based loosely-coupled setups to demonstrate flexible applicability and to evaluate performance. In loose coupling, as opposed to tight coupling, two (or more) applications are executed separately, e.g. in individual MPI contexts, yet cooperate by exchanging data. This way, a streaming-based workflow allows for standalone codes instead of tightly-coupled plugins, using a unified streaming-aware API and leveraging high-speed communication infrastructure available in modern compute clusters for massive data exchange. We determine new challenges in resource allocation and in the need of strategies for a flexible data distribution, demonstrating their influence on efficiency and scaling on the Summit compute system. The presented setups show the potential for a more flexible use of compute resources brought by streaming IO as well as the ability to increase throughput by avoiding filesystem bottlenecks.

Poeschel, Franz↗

DOE OSTI2024

A review of antimicrobial implications for improving indoor air quality

The frequent outbreak of infectious respiratory diseases, such as the recent COVID-19 epidemic, raised the importance of indoor air quality. Removing microorganisms from indoor air is critical to improve indoor air quality. Numerous studies in recent years have been published on developing antimicrobial materials and technologies for antibacterial and antiviral applications. Further, this study critically reviews the recent antimicrobial advances for improving indoor air quality. This paper provides a comprehensive analysis of the antimicrobial mechanisms, development of materials, and deployment strategies, as well as a performance evaluation of the antimicrobial implication for indoor air quality. Furthermore, the challenges and opportunities of future research directions are also highlighted.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Optimizing first- and last-mile public transit services leveraging transportation network companies (TNC)

First-mile last-mile (FMLM) mobility services that connect riders to public transit can lead to improved transit accessibility and network efficiency if such services are convenient and reliable. However, many current FMLM services are inefficient and costly because they are inflexible (e.g., fixed supply of shuttles) and do not leverage collected data for optimized decision making. At the same time, new forms of shared mobility can provide added flexibility and real-time analytics to FMLM systems when carefully integrated. This study evaluates performance and cost implications of public/private coordination between transit shuttles and transportation network companies (TNC) in the FMLM context. A real-time operations model was developed to simulate daily operations for an existing FMLM system using real-world demand data. Three supply strategies were tested with varying levels of flexibility: (1) Status Quo (two 23-passenger on-demand shuttles), (2) Hybrid (one 23-passenger on-demand shuttle + TNC), and (3) TNC Only (exclusively use TNC services). Results indicated that the added flexibility of the Hybrid service design (using shuttles and TNCs) improved service performance (a 7.7% improvement), reduced daily operating costs (– 6.0%), and improved service reliability (95th percentile travel times decreased by up to 40% during peak periods). In addition, the Hybrid service design was more robust to variations in demand. Here, the Hybrid service was significantly cheaper to operate (– 31.6%) at reduced demand levels (50% of normal), and improved service performance (a 10.2% improvement) when demand levels were increased (150% of normal). These findings emphasize the importance of flexibility in FMLM service designs, especially when demand is sparse and variable.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗