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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A higher-order finite element reactive transport model for unstructured and fractured grids

Abstract This work presents a new reactive transport framework that combines a powerful geochemistry engine with advanced numerical methods for flow and transport in subsurface fractured porous media. Specifically, the PhreeqcRM interface (developed by the USGS) is used to take advantage of a large library of equilibrium and kinetic aqueous and fluid-rock reactions, which has been validated by numerous experiments and benchmark studies. Fluid flow is modeled by the Mixed Hybrid Finite Element (FE) method, which provides smooth velocity fields even in highly heterogenous formations with discrete fractures. A multilinear Discontinuous Galerkin FE method is used to solve the multicomponent transport problem. This method is locally mass conserving and its second order convergence significantly reduces numerical dispersion. In terms of thermodynamics, the aqueous phase is considered as a compressible fluid and its properties are derived from a Cubic Plus Association (CPA) equation of state. The new simulator is validated against several benchmark problems (involving, e.g., Fickian and Nernst-Planck diffusion, isotope fractionation, advection-dispersion transport, and rock-fluid reactions) before demonstrating the expanded capabilities offered by the underlying FE foundation, such as high computational efficiency, parallelizability, low numerical dispersion, unstructured 3D gridding, and discrete fraction modeling.

58 GEOSCIENCES↗
DOE OSTI2022

Novel Real- Time EMT- TS Modeling Architecture for Feeder Blackstart Simulations

This paper presents the development and benchmarking of a novel real-time electromagnetic-transient and transient-stability (EMT-TS) modeling architecture for distribution feeder restoration studies. The work presents for the first time in the literature a real-time EMT-TS testbed in which the grid-forming unit is simulated in EMT domain, operating as the slack bus of the phasor domain while including unbalanced voltage conditions. To evaluate the performance and limitations of the proposed model, an equivalent EMT testbed is developed to serve as a benchmark. First, the co-simulation framework and the domain coupling methodology are introduced. Next, the steady state operation of the EMT-TS and EMT models are matched. Then, tests are conducted to analyze the transient performance of the proposed EMT-TS model when compared to its EMT benchmark. Results reveal that when utilizing a battery energy storage system (BESS) as the grid-forming unit, the EMT-TS testbed can maintain high accuracy for typical load steps.

Paduani, Victor↗
DOE OSTI2020

Final Report for Tech-X Corporations’s contribution to Enhancing Understanding of High Energy Density Plasmas from Wire Array and Solid Liner Implosions Using Fluid Modeling with Kinetic Closures

Recent results from experiments and simulation of magnetically driven pulsed power liners have explored the role of the early-time electrothermal instability in the evolution of the magneto-Rayleigh-Taylor instability. Our focus will be on understanding the development of such instabilities and the potential stabilization mechanisms via electron thermal conduction, viscosity, and large magnetic fields which we expect could play a significant role in supporting the success of the MagLIF program. Experiments have shown that studies of high-energy density plasmas from wire-array implosions require physics modeling that goes well beyond simple models such as ideal magnetohydrodynamics. The goal of this work is to provide increased understanding of these experiments by employing simulations with a multi-fluid extended-MHD model which uses kinetic closures for thermal conduction, resistivity and viscosity. We will use codes easily available to the wider research community, including university students, with a secondary goal of providing the community with well-benchmarked tools capable of advanced modeling of high-energy-density plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Observational benchmarks inform representation of soil organic carbon dynamics in land surface models

Abstract. Representing soil organic carbon (SOC) dynamics in Earth system models (ESMs) is a key source of uncertainty in predicting carbon–climate feedbacks. Machine learning models can help identify dominant environmental controllers and establish their functional relationships with SOC stocks. The resulting knowledge can be integrated into ESMs to reduce uncertainty and improve predictions of SOC dynamics over space and time. In this study, we used a large number of SOC field observations (n=54 000), geospatial datasets of environmental factors (n=46), and two machine learning approaches (namely random forest, RF, and generalized additive modeling, GAM) to (1) identify dominant environmental controllers of global and biome-specific SOC stocks, (2) derive functional relationships between environmental controllers and SOC stocks, and (3) compare the identified environmental controllers and predictive relationships with those in models used in Phase 6 of the Coupled Model Intercomparison Project (CMIP6). Our results showed that the diurnal temperature, drought index, cation exchange capacity, and precipitation were important observed environmental predictors of global SOC stocks. While the RF model identified 14 environmental factors that describe climatic, vegetation, and edaphic conditions as important predictors of global SOC stocks (R2=0.61, RMSE = 0.46 kg m−2), current ESMs oversimplify the relationships between environmental factors and SOC, with precipitation, temperature, and net primary productivity explaining > 96 % of the variability in ESM-modeled SOC stocks. Further, our study revealed notable disparities among the functional relationships between environmental factors and SOC stocks simulated by ESMs compared with observed relationships. To improve SOC representations in ESMs, it is imperative to incorporate additional environmental controls, such as the cation exchange capacity, and refine the functional relationships to align more closely with observations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Benchmarking and Exploring Parameter Space of the 2-Phase Bubble Tracking Model for Liquid Mercury Target Simulation

High intensity proton pulses strike the Spallation Neutron Source (SNS)’s mercury target to provide bright neutron beams. These strikes deposit extensive energy into the mercury and its steel vessel. Prediction of the resultant loading on the target is difficult when helium gas is intentionally injected into the mercury to reduce the loading and to mitigate the pitting damage on the vessel. A 2-phase material model that incorporates the Rayleigh-Plesset (R-P) model is expected to address this complex multi-physics dynamics problem by including the bubble dynamics in the liquid mercury. We present a study comparing the measured target strains in the SNS target station with the simulation results of the solid mechanics simulation framework. We investigate a wide range of various physical model parameters, including the number of bubble families, bubble size distribution, viscosity, surface tension, etc. to understand their impact on simulation accuracy. Our initial findings reveal that using 8-10 bubble families in the model renders a simulation strain envelope that covers the experimental ones. Further optimization studies are planned to predict the strain response more accurately.

Lin, Lianshan↗
DOE OSTI2021

Whisper Use of Nuclear Data Covariances [Slides]

Whisper is statistical analysis code using sensitivity/uncertainty-based methods to determine baseline upper subcritical limit (USL) for nuclear criticality safety. Features of Whisper 1.1 include: GLLS method implemented to compute adjusted covariance based on current benchmark suite (1,100+ ICSBEP models), BLO “low-fidelity” covariance data used (44 energy groups), adjusted covariance is pre-computed and saved, and adjusted cross sections are NOT computed. Potential future efforts include: an extension to include angular distributions in benchmark selection and in GLLS adjustment, a move toward more modern covariance data (ENDF/B-VIII.0) and different group structure, and compute and store adjusted cross sections (trivial).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Transient Modelling of HTGR Thermal Load Follow in Modelica

The ability of nuclear power plants to load follow electrical power demand is particularly important as we move to higher variable renewable (VRE) energy production on low carbon energy grids. High temperature gas reactors (HTGRs) are capable of load following by adjusting thermal output, but their high temperatures and thermal inertia significantly impact the power transients they are able to follow. To aid investigation into new integrated energy systems with advanced reactors, it is necessary to have an open-source transient model of a full HTGR primary and secondary. This paper introduces two new open-source models for a HTGR and corresponding balance of plant (BOP) written for the HYBRID library developed at Idaho National Laboratory. A transient thermal load follow test case was taken by the work from Brits et al. to benchmark our open-source model against transient operation results from other proprietary codes that exist. The control scheme for the two new models in combination is discussed and a comparison of the response in transient load follow between the two codes performed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Online thermal profile prediction for large format additive manufacturing: A hybrid CNN-LSTM based approach

Large format additive manufacturing (LFAM) is an advanced 3D printing technique that efficiently fabricates large-scale components through a layer-by-layer extrusion and deposition process. Accurate surface layer temperature monitoring is essential to prevent manufacturing failures and ensure final product quality. Traditional physics-based offline approaches for simulating thermal behavior are often inefficient and complex, posing challenges on real-time, in-situ monitoring. Here, to address this, we propose a data-driven hybrid CNN-LSTM model to predict sequential thermal images of arbitrary length using real-time infrared thermal imaging. In this approach, a Convolutional Neural Networks (CNN) is trained offline to capture spatial features, reduce dimensional complexity, and enhance time efficiency, while a stacked Long Short-Term Memory (LSTM) is applied online to capture temporal information for improved prediction of future thermal behavior in subsequent printing layers. Model performance is evaluated using MSE, SSIM, and PSNR metrics and is benchmarked against stacked LSTM and convolutional LSTM models, demonstrating superior accuracy and applicability. Additionally, to mitigate noise from moving extruders and gantry backgrounds in thermal images, a fine-tuned semantic segmentation model is implemented offline to extract printing geometry, enabling precise temperature tracking along the tool path for further thermal analysis. The frameworks developed in this study significantly advance temperature monitoring, thermal analysis, and in-situ manufacturing control for LFAM, bridging the gap between theoretical modeling and practical application.

Geometry extraction↗
DOE OSTI2020

Enhanced Co-Expression Extrapolation (COXEN) Gene Selection Method for Building Anti-Cancer Drug Response Prediction Models

The co-expression extrapolation (COXEN) method has been successfully used in multiple studies to select genes for predicting the response of tumor cells to a specific drug treatment. Here, we enhance the COXEN method to select genes that are predictive of the efficacies of multiple drugs for building general drug response prediction models that are not specific to a particular drug. The enhanced COXEN method first ranks the genes according to their prediction power for each individual drug and then takes a union of top predictive genes of all the drugs, among which the algorithm further selects genes whose co-expression patterns are well preserved between cancer cases for building prediction models. We apply the proposed method on benchmark in vitro drug screening datasets and compare the performance of prediction models built based on the genes selected by the enhanced COXEN method to that of models built on genes selected by the original COXEN method and randomly picked genes. Models built with the enhanced COXEN method always present a statistically significantly improved prediction performance (adjusted p-value ≤ 0.05). Our results demonstrate the enhanced COXEN method can dramatically increase the power of gene expression data for predicting drug response.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Machine learning and ligand binding predictions: A review of data, methods, and obstacles

We report that computational predictions of ligand binding is a difficult problem, with more accurate methods being extremely computationally expensive. The use of machine learning for drug binding predictions could possibly leverage the use of biomedical big data in exchange for time-intensive simulations. This paper reviews current trends in the use of machine learning for drug binding predictions, data sources to develop machine learning algorithms, and potential problems that may lead to overfitting and ungeneralizable models. A few popular datasets that can be used to develop virtual high-throughput screening models are characterized using spatial statistics to quantify potential biases. We can see from evaluating some common benchmarks that good performance correlates with models with high-predicted bias scores and models with low bias scores do not have much predictive power. A better understanding of the limits of available data sources and how to fix them will lead to more generalizable models that will lead to novel drug discovery.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Flexible, integrated modeling of tokamak stability, transport, equilibrium, and pedestal physics

The STEP (Stability, Transport, Equilibrium, and Pedestal) integrated-modeling tool has been developed in OMFIT to predict stable, tokamak equilibria self-consistently with core-transport and pedestal calculations. STEP couples theory-based codes to integrate a variety of physics, including magnetohydrodynamic stability, transport, equilibrium, pedestal formation, and current-drive, heating, and fueling. The input/output of each code is interfaced with a centralized ITER-Integrated Modelling & Analysis Suite data structure, allowing codes to be run in any order and enabling open-loop, feedback, and optimization workflows. This paradigm simplifies the integration of new codes, making STEP highly extensible. STEP has been verified against a published benchmark of six different integrated models. Core-pedestal calculations with STEP have been successfully validated against individual DIII-D H-mode discharges and across more than 500 discharges of the H98,y2 database, with a mean error in confinement time from experiment less than 19%. STEP has also reproduced results in less conventional DIII-D scenarios, including negative-central-shear and negative-triangularity plasmas. Predictive STEP modeling has been used to assess performance in several tokamak reactors. Simulations of a high-field, large-aspect-ratio reactor show significantly lower fusion power than predicted by a zero-dimensional study, demonstrating the limitations of scaling-law extrapolations. STEP predictions have found promising scenarios for an EXhaust and Confinement Integration Tokamak Experiment, including a high-pressure, 80%-bootstrap-fraction plasma. ITER modeling with STEP has shown that pellet fueling enhances fusion gain in both the baseline and advanced-inductive scenarios. Finally, STEP predictions for the SPARC baseline scenario are in good agreement with published results from the physics basis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Deep Reinforcement Learning Enabled Physical-Model-Free Two-Timescale Voltage Control Method for Active Distribution Systems

Active distribution networks are being challenged by frequent and rapid voltage violations due to renewable energy integration. Conventional model-based voltage control methods rely on accurate parameters of the distribution networks, which are difficult to achieve in practice. This paper proposes a novel physical-model-free two-timescale voltage control framework for active distribution systems. To achieve fast control of PV inverters, the whole network is first partitioned into several subnetworks using voltage-reactive power sensitivity. Then, the scheduling of PV inverters in the multiple sub-networks is formulated as Markov games and solved by a multi-agent soft actor-critic (MASAC) algorithm, where each subnetwork is modeled as an intelligent agent. All agents are trained in a centralized manner to learn a coordinated strategy while being executed based on only local information for fast response. For the slower time-scale control, OLTCs and switched capacitors are coordinated by a single agent-based SAC algorithm using the global information with considering control behaviors of the inverters. Particularly, the two-level agents are trained concurrently with information exchange according to the reward signal calculated from the data-driven surrogate model. Comparative tests with different benchmark methods on IEEE 33-and 123-bus systems and 342-node low voltage distribution system demonstrate that the proposed method can effectively mitigate the fast voltage violations and achieve systematical coordination of different voltage regulation assets without the knowledge of accurate system model.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Comparison of Tritium Dose Calculations from MACCS, UFOTRI, and ETMOD

Tritium exhibits unique environmental behavior because of its potential interactions with water and organic substances. Modeling the environmental consequences of tritium releases can be relatively complex and thus an evaluation of MACCS is needed to understand what updates, if any, are needed in MACCS to account for the behavior of tritium. We examine documented tritium releases and previous benchmarking assessments to perform a model intercomparison between MACCS and state-of-practice tritium-specific codes UFOTRI and ETMOD to quantify the difference between MACCS and state of practice models for assessing tritium consequences. Additionally, information to assist an analyst in judging whether a postulated tritium release is likely to lead to significant doses is provided.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

Improving the Concrete Crack Detection Process via a Hybrid Visual Transformer Algorithm

Inspections of concrete bridges across the United States represent a significant commitment of resources, given their biannual mandate for many structures. With a notable number of aging bridges, there is an imperative need to enhance the efficiency of these inspections. This study harnessed the power of computer vision to streamline the inspection process. Our experiment examined the efficacy of a state-of-the-art Visual Transformer (ViT) model combined with distinct image enhancement detector algorithms. We benchmarked against a deep learning Convolutional Neural Network (CNN) model. These models were applied to over 20,000 high-quality images from the Concrete Images for Classification dataset. Traditional crack detection methods often fall short due to their heavy reliance on time and resources. This research pioneers bridge inspection by integrating ViT with diverse image enhancement detectors, significantly improving concrete crack detection accuracy. Notably, a custom-built CNN achieves over 99% accuracy with substantially lower training time than ViT, making it an efficient solution for enhancing safety and resource conservation in infrastructure management. These advancements enhance safety by enabling reliable detection and timely maintenance, but they also align with Industry 4.0 objectives, automating manual inspections, reducing costs, and advancing technological integration in public infrastructure management.

42 ENGINEERING↗
NASA NTRS2001

Multifunctional Collaborative Modeling and Analysis Methods in Engineering Science

Engineers are challenged to produce better designs in less time and for less cost. Hence, to investigate novel and revolutionary design concepts, accurate, high-fidelity results must be assimilated rapidly into the design, analysis, and simulation process. This assimilation should consider diverse mathematical modeling and multi-discipline interactions necessitated by concepts exploiting advanced materials and structures. Integrated high-fidelity methods with diverse engineering applications provide the enabling technologies to assimilate these high-fidelity, multi-disciplinary results rapidly at an early stage in the design. These integrated methods must be multifunctional, collaborative, and applicable to the general field of engineering science and mechanics. Multifunctional methodologies and analysis procedures are formulated for interfacing diverse subdomain idealizations including multi-fidelity modeling methods and multi-discipline analysis methods. These methods, based on the method of weighted residuals, ensure accurate compatibility of primary and secondary variables across the subdomain interfaces. Methods are developed using diverse mathematical modeling (i.e., finite difference and finite element methods) and multi-fidelity modeling among the subdomains. Several benchmark scalar-field and vector-field problems in engineering science are presented with extensions to multidisciplinary problems. Results for all problems presented are in overall good agreement with the exact analytical solution or the reference numerical solution. Based on the results, the integrated modeling approach using the finite element method for multi-fidelity discretization among the subdomains is identified as most robust. The multiple-method approach is advantageous when interfacing diverse disciplines in which each of the method's strengths are utilized. The multifunctional methodology presented provides an effective mechanism by which domains with diverse idealizations are interfaced. This capability rapidly provides the high-fidelity results needed in the early design phase. Moreover, the capability is applicable to the general field of engineering science and mechanics. Hence, it provides a collaborative capability that accounts for interactions among engineering analysis methods.

Ransom, Jonathan B.↗
NASA NTRS2001

On Multifunctional Collaborative Methods in Engineering Science

Multifunctional methodologies and analysis procedures are formulated for interfacing diverse subdomain idealizations including multi-fidelity modeling methods and multi-discipline analysis methods. These methods, based on the method of weighted residuals, ensure accurate compatibility of primary and secondary variables across the subdomain interfaces. Methods are developed using diverse mathematical modeling (i.e., finite difference and finite element methods) and multi-fidelity modeling among the subdomains. Several benchmark scalar-field and vector-field problems in engineering science are presented with extensions to multidisciplinary problems. Results for all problems presented are in overall good agreement with the exact analytical solution or the reference numerical solution. Based on the results, the integrated modeling approach using the finite element method for multi-fidelity discretization among the subdomains is identified as most robust. The multiple method approach is advantageous when interfacing diverse disciplines in which each of the method's strengths are utilized.

Ransom, Jonathan B.↗