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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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At least 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2020

Potential annual daylighting performance of a high-efficiency daylight redirecting slat system

While the primary role of window attachments is often to moderate glare and solar heat gains, they are also able to provide additional daylight to interior spaces. For this purpose, a variety of daylight-redirecting window systems have been developed over the past 150 years. Fixed reflective systems (slats/light shelves) or prismatic systems that rely on total internal reflection work well under specific solar conditions, but generally sacrifice performance over a much wider range of incident solar angles and sky conditions. Dynamic systems - typically reflective slats - are more responsive to sun angles but have not been able to achieve optimal performance for glare and daylight redirection efficiency. A previous investigation into an adjustable, reflective blind concept first conceived of in the late 1970s showed promise but was not reduced to practice due to lack of adequate simulation and analysis tools. In this paper, this concept is further developed and its energy and visual comfort performance evaluated for four mid-latitude, temperate climates using ray-tracing simulation techniques. Overall, results indicate significant potential lighting energy savings when compared with conventional automated reflective blinds (2.1–4.9 kWh/(m 2 ·a), or 14%–42%, depending on climate and orientation) or, especially, manually-operated matte white venetian blinds (1.4–7.9 kWh/(m 2 ·a), or 9%–54%, depending on climate and orientation), while maintaining acceptable or better visual comfort conditions throughout the interior space.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Model predictive control for demand flexibility: Real-world operation of a commercial building with photovoltaic and battery systems

Hundreds of studies have investigated Model Predictive Control (MPC) for the optimal operation of building energy systems in the past two decades. However, MPC field tests are still uncommon, especially for small- and medium-sized commercial buildings and for buildings integrated with onsite renewables. This paper describes the implementation and the long-term performance evaluation of an MPC controller in a small commercial building equipped with behind-the-meter photovoltaics and electrochemical batteries. MPC controls space conditioning, commercial refrigeration, and the battery system. We tested two types of demand flexibility applications in the field: electricity bill minimization under time-of-use tariffs and responses to grid flexibility events. Results show that the proposed controller achieves 12% of annual electricity cost savings and 34% peak demand reduction against the baseline, while respecting thermal comfort and food safety. The field tests also demonstrate the ability of the MPC controller to provide a multitude of grid services including real-time pricing, demand limiting, load shedding, load shifting, and load tracking, using the same optimization framework.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

A sensitivity analysis to predict the neutronics behavior of samples irradiated in the VTR rabbit system

We report a low-order neutronics model is developed to carry out hundreds of simulations efficiently and investigate the neutronics behavior of samples being irradiated in a test reactor setting under different geometrical constraints. The low-order model allowed for simulations that yield the expected neutronics behavior of any irradiated sample in any environment and allows for the calculation of highly accurate spatially averaged statistics and idealized spatial distributions in the neutron flux. Several benchmarks are performed to evaluate the performance and limitations of the low-order model revealing many important findings. The low-order model predicted the LHGR in the EBR-II driver fuel to within 2.34% by only simulating the fuel rod by itself, which served as a validation for the model. Sensitivity studies investigated 3% enriched UO 2 and U-10Zr being irradiated in the Versatile Test Reactor rabbit system. The analyses investigated a range of combinations of 15 radii and 5 heights for each sample in the rabbit system. Similar data sets are also provided for irradiations in the Advanced Test Reactor’s B-10 irradiation position, which is a thermal neutron spectrum environment. Generalized fits and fit coefficients are obtained for sample heating, reaction rate densities, and local multiplication rate characteristics, allowing the predictions of the neutronics behavior of the samples based on their geometrical constraints. The analyses and fits laid the groundwork for developing a user-end Multiphysics analysis framework to assist and accelerate irradiation experiment design and optimization.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Dispatch optimization of a concentrating solar power system under uncertain solar irradiance and energy prices

The integration of thermal energy storage into a concentrating solar power system allows for mitigating some of the risk associated with uncertain solar irradiance and uncertain energy prices. We solve a 48 h dispatch optimization model with continually updated conditional point forecasts of both direct normal irradiance (DNI) and electricity prices with a rolling-horizon scheme at hourly resolution over the course of a year. Joint, conditional forecasts for DNI and prices are formed using an autoregressive moving-average time series model with exogenous weather predictors. We guide dispatch using a mixed-integer programming model, but in order to evaluate performance we use the System Advisor Model (SAM) of the National Renewable Energy Laboratory. SAM is a techno-economic simulation model that accounts for plant thermodynamics with higher fidelity. Our conditional DNI forecasts improve annual revenue by 4%–12% over using historical forecasts based on data from previous years. Conditional price forecasts improve annual revenue by 6%–19% in the real-time market over analogous historical forecasts. Updating these forecasts every six hours, rather than every 24 h, further improves annual revenue by 5%–6%. Here, we also investigate a method that values terminal inventory in our dispatch optimization model, again when used in a rolling-horizon scheme.

14 SOLAR ENERGY↗
DOE OSTI2025

CFD modeling of natural circulation in LiCl-KCl molten salt closed loop

Characterizing flow within a molten salt closed-loop system is crucial for assessing system requirements, evaluating performance, and identifying potential flaws. Direct flow measurement using instrumentation is challenging due to extreme environmental conditions and the limitations associated with measuring molten salt flow under natural convection. Here, this study aims to provide comprehensive insights into the thermal-hydraulic behavior of a closed loop, with a particular focus on temperature distribution and velocity prediction. The Computational Fluid Dynamics (CFD) model demonstrated the capability to effectively simulate and predict both temperature distributions and flow velocities within the molten salt loop. The CFD model's predictive capability was validated by its ability to replicate temperature measurements under varying boundary conditions. The analysis revealed that the CFD model tends to underpredict temperatures in the cold leg and overpredict them in the hot leg, highlighting the need for continuous model refinement and acknowledging the limitations of using a steady-state approach. Furthermore, the potential of using external temperature measurements to estimate internal molten salt temperatures and predict flow velocity was explored, revealing that this approach could introduce up to a 5.5% error in flow velocity calculations. Line probes mapping temperature distributions across the tube's cross-section and molten salt provided valuable insights into temperature gradients, emphasizing the need for a thermal conductivity equation for molten salt with lower uncertainty to achieve more accurate temperature predictions of the system.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Computational materials assessment of the D/Li-stripping neutron source as a prototypical facility for fusion materials testing

As the US fusion materials community awaits the selection and design of a fusion prototypical neutron source (FPNS), a risk reduction exercise has been conducted to (i) provide an updated materials performance evaluation using state-of-the-art computational materials modeling, (ii) expand on legacy analysis based on pure Fe to other relevant fusion structural materials types, and (iii) ensure that materials response under FPNS operational conditions is consistent with referential fusion reactor conditions. The current paper describes the efforts undertaken to assemble a comprehensive computational methodology that includes neutronics, primary damage calculations, atomistic simulations of displacement cascades, chemical inventory evolution calculations, and a computational thermodynamic analysis of emerging phases during irradiation. Our work extends existing studies in pure Fe to reduced-activation ferritic/martensitic steels, tungsten, silicon carbide, and vanadium alloys. We focus on the single-beam deuteron/lithium-stripping neutron source behind the IFMIF-DONES concept, which we assess against ITER, two DEMO designs, and an ideal pure 14-MeV flux. Our analysis indicates that, within standard uncertainties inherent to the models employed, the DONES concept adequately captures fusion conditions in the four materials analyzed. Our work is intended as a comprehensive irradiation damage analysis of fusion-representative neutron sources, to be used for further neutron source evaluation and fusion facility operation.

Marian, Jaime [Univ. of California, Los Angeles, C↗
DOE OSTI2021

Design and testing of a free floating dual flap wave energy converter

With a wide variety of wave energy device archetypes currently under consideration, it is a major challenge to ensure that research findings and methods are broadly applicable. In particular, the design and testing of wave energy control systems, a process which includes experimental design, empirical modeling, control design, and performance evaluation, is of interest. This goal motivated the redesign and testing of a floating dual flap wave energy converter. As summarized in this paper, the steps taken in the design, testing, and analysis of the device mirrored those previously demonstrated on a three-degree of freedom point absorber device. The method proposed does not require locking WEC degrees of freedom to develop an excitation model, and presents a more attainable system identification procedure for at-sea deployments. The results show that the methods employed work well for this dual flap device, lending additional support for the broad applicability of the design and testing methods applied here. The aim of this paper is to demonstrate that these models are particularly useful for deducing areas of device design or controller implementation that can be reasonably improved to increase device power capture.

16 TIDAL AND WAVE POWER↗
DOE OSTI2020

Computational Experiment Design for Operations Model Simulation

Computer simulations that demonstrate the value of novel approaches are crucial to developing more flexible and robust power systems operations with high penetrations of renewable energy at multiple geographic and temporal scales. However, optimization-based simulations that depend on forecast data often face challenges in evaluating performance, reproducing results, and testing under realistic simulation scenarios. In this paper, we develop scientific computing best-practices for the validation and reproduction of power systems operational models. We then employ two case studies to demonstrate the proposed validation and reproduction framework.

MATHEMATICS AND COMPUTING,POWER TRANSMISSION AND D↗
DOE OSTI2026

DTLMod: A simulation framework for in situ workflow optimization

In situ processing workflows have become essential for coping with the explosion in data volume and velocity in large-scale scientific computing, providing domain scientists with early insights at runtime. Multiple frameworks implement this paradigm through a data transport layer (DTL), offering different data access modes and deployment schemes, but researchers currently lack the appropriate tools to assess design and deployment options before committing to costly real experiments. We introduce DTLMod, an open-source simulated DTL that enables performance evaluation of in situ workflow configurations at scale. Built on SimGrid, it links into any SimGrid-based simulator and is available in C++ and Python. We evaluate DTLMod along four axes: scalability (tens of thousands of simulated processes across interconnected clusters in seconds, with linear memory scaling), versatility (three implementation variants trading fidelity for speed), accuracy (simulated times faithfully reflecting real behavior), and practical utility (two use cases demonstrating evidence-based workflow design decisions).

Suter, Fred [ORNL] (ORCID:0000000319021955)↗
DOE OSTI2025

Adaptive Algebraic Derivative Estimation for Battery Electric Buses Energy Consumption Forecasting

The limited service life of onboard batteries for EVs is a challenge, underscoring the need for real-time battery usage prediction. This paper proposes an adaptive Algebraic Derivative Estimation (ADE) approach for forecasting the energy consumption of battery electric buses. By dynamically adjusting the sliding window length, the adaptive ADE retains the fixed-length ADE’s key advantage—namely, operating online without reliance on extensive historical datasets—while substantially bolstering forecast accuracy by actively trading estimation bias off estimation variance. Comparative experiments against both the conventional ADE with a fixed length and a representative machine learning algorithm, XGBoost, were conducted, with performance evaluated via root mean square error, mean absolute error, and the coefficient of determination. The results demonstrate that the proposed approach significantly outperforms baseline methods.

Cui, Tianyang [The University of Texas at Dallas]↗
DOE OSTI2025

Deep-learning-enhanced assessment of wellbore barrier effectiveness in geologic storage systems with intermediate aquifers

For geologic systems where carbon dioxide (CO 2 ) is injected underground, existing wells represent potential pathways for fluid migration. Here, this study introduces a novel deep learning model to quantify the likelihood and potential magnitude of fluid migration through wellbores at sites with intermediate aquifers or thief zones between the injection units and underground drinking water sources. Synthetic datasets, generated using reservoir simulations, captured a wide range of subsurface conditions, well attributes, operational parameters, and fluid migration scenarios. Among the regression models developed to predict brine and CO 2 leakage rates and CO 2 saturations along leaky wellbores, convolutional neural network (CNN) outperformed both Light Gradient Boosting Machine and deep neural network. Additionally, a CNN-based classification model was created to predict whether brine and CO 2 would leak along a wellbore, further improving performance over regression alone. The best models were integrated into the National Risk Assessment Partnership Open-source Integrated Assessment Model for rapid, stochastic assessment of storage system containment and leakage risks. A case study demonstrated the model’s ability to simulate fluid migration through existing wells with multiple intermediate aquifers. This computationally efficient wellbore model offers value in support of site performance evaluation and risk-informed decision making by stakeholders.

CO2 leakage↗