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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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DOE OSTI2022

Multiscale simulation of integrated energy system and electricity market interactions

Accelerating the deep decarbonization of the world's electric grids requires the coordination of complex energy systems and infrastructures across timescales from seconds to decades. Here, we present a new multiscale simulation framework that integrates process- and grid-centric modeling paradigms to better design, operate, and control integrated energy systems (IESs), which combine multiple technologies, in wholesale energy markets. Traditionally, IESs are analyzed with a process-centric paradigm such as levelized cost of electricity (LCOE) or annualized net revenue, ignoring important interactions with electricity markets. This framework explicitly models the complex interactions between an IES's bidding, scheduling, and control decisions and the energy market's clearing and settlement processes, while incorporating operational uncertainties. Through two case studies, we show the importance of understanding and quantifying complex resource-grid interactions. In case study 1, we demonstrate that optimized bidding from one resource shifts the profit distribution for all energy systems in the market. This result suggests new and more flexible IES technologies can disrupt the economics of all market participants, possibly leading to accelerated retirements of less flexible resources. Interestingly, the optimized bidding has little impact on grid-level aggregate statistics, such as total generation costs and renewable penetration rate. While aggregate modeling strategies may remain valid under some IES adoption scenarios for analysis focused on regional outcomes, direct comparisons of IES technologies at specific locations without considering these interactions may lead to misleading or incorrect conclusions. In case study 2, we consider the design and flexible operation of IESs that hybridize conventional generators with energy storage. Through a sensitivity analysis, we find that as the size of the storage system increases, the total number of start-ups for coal- and natural gas-based IESs reduced by 25% and 33.6%, and the total thermal generator ramping (i.e., mileage) reduced by 86.5% and 62.5%, respectively. This shows the primary benefit of storage may not be reduced operational costs (which do not change significantly) but fewer start-ups and less ramping, which may greatly simplify the design, operation, and control of carbon capture systems. The new modeling and optimization capabilities from this work enable the coupling of rigorous, dynamic process models with grid-level production cost models to quantitatively identify the nuanced interdependencies across these vast timescales that must be addressed to realize clean, safe, and secure energy production. Moreover, the proposed general multiscale simulation framework is applicable to all IES technologies and can be easily extended to consider other energy carriers (e.g., hydrogen, ammonia) and energy infrastructures (e.g., natural gas pipelines).

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2014

An approach to developing an integrated pyroprocessing simulator

Pyroprocessing has been studied for a decade as one of the promising fuel recycling options in Korea. We have built a pyroprocessing integrated inactive demonstration facility (PRIDE) to assess the feasibility of integrated pyroprocessing technology and scale-up issues of the processing equipment. Even though such facility cannot be replaced with a real integrated facility using spent nuclear fuel (SF), many insights can be obtained in terms of the world's largest integrated pyroprocessing operation. In order to complement or overcome such limited test-based research, a pyroprocessing Modelling and simulation study began in 2011. The Korea Atomic Energy Research Institute (KAERI) suggested a Modelling architecture for the development of a multi-purpose pyroprocessing simulator consisting of three-tiered models: unit process, operation, and plant-level-model. The unit process model can be addressed using governing equations or empirical equations as a continuous system (CS). In contrast, the operation model describes the operational behaviors as a discrete event system (DES). The plant-level model is an integrated model of the unit process and an operation model with various analysis modules. An interface with different systems, the incorporation of different codes, a process-centered database design, and a dynamic material flow are discussed as necessary components for building a framework of the plant-level model. As a sample model that contains methods decoding the above engineering issues was thoroughly reviewed, the architecture for building the plant-level-model was verified. By analyzing a process and operation-combined model, we showed that the suggested approach is effective for comprehensively understanding an integrated dynamic material flow. This paper addressed the current status of the pyroprocessing Modelling and simulation activity at KAERI, and also predicted its path forward.

42 ENGINEERING↗

DOE OSTI2012

Collaborative: Fusion Simulation Program

New York University, Courant Institute of Mathematical Sciences, participated in the Fusion Simulation Program (FSP) Planning Activities [http://www.pppl.gov/fsp], with C.S. Chang as the institutional PI. FSP's mission was to enable scientific discovery of important new plasma phenomena with associated understanding that emerges only upon integration. This requires developing a predictive integrated simulation capability for magnetically-confined fusion plasmas that are properly validated against experiments in regimes relevant for producing practical fusion energy. Specific institutional goal of the New York University was to participate in the planning of the edge integrated simulation, with emphasis on the usage of large scale HPCs, in connection with the SciDAC CPES project which the PI was leading. New York University successfully completed its mission by participating in the various planning activities, including the edge physics integration, the edge science drivers, and the mathematical verification. The activity resulted in the combined report that can be found in http://www.pppl.gov/fsp/Overview.html. Participation and presentations as part of this project are listed in a separation file.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

A Blockchain Based Co-Simulation Framework for Integrating DERs into Wholesale Electricity Markets

As the number of distributed energy resources (DERs) continue to increase across energy-delivery systems, there remains a need for integrating their capabilities into traditional grid operations. In this paper, a blockchain-based solution is proposed to facilitate FERC's Order No. 2222 implementations. The presented use-case enables small-scale DERs to participate in wholesale market operations through DER aggregators, while also enabling local distribution system operators to enforce distribution system constraints in a secure and traceable manner. The presented use case is built around the Unified Testing Platform (UTP) being developed as a part of the Blockchain for Optimized Security and Energy Management (BLOSEM) project. This is a multi-lab effort intended to simplify the deployment of blockchain-powered grid solutions by enabling the integration of simulation tools, and blockchain technologies through the use of system-agnostic interfaces that provide a modular, interoperable, and reusable connectivity layer.

blockchain testing↗

DOE OSTI2022

A Blockchain Based Co-Simulation Framework for Integrating DERs to Wholesale Electricity Markets: Preprint

blockchain testing↗

DOE OSTI2017

Space-Charge Simulation of Integrable Rapid Cycling Synchrotron

Integrable optics is an innovation in particle accelerator design that enables strong nonlinear focusing without generating parametric resonances. We use a Synergia space-charge simulation to investigate the application of integrable optics to a high-intensity hadron ring that could replace the Fermilab Booster. We find that incorporating integrability into the design suppresses the beam halo generated by a mismatched KV beam. Our integrable rapid cycling synchrotron (iRCS) design includes other features of modern ring design such as low momentum compaction factor and harmonically canceling sextupoles. Experimental tests of high-intensity beams in integrable lattices will take place over the next several years at the Fermilab Integrable Optics Test Accelerator (IOTA) and the University of Maryland Electron Ring (UMER).

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

HL-2A's ELM cycle simulations by integrating BOUT++'s drift MHD and transport code

A new integrating model has been developed to couple tokamak edge multiscale magnetohydrodynamic (MHD) events and transport simulations, such as edge-localized mode (ELM) cycles. As a proof of principle, we first start from a set of three-field two-fluid model equations, which includes the pressure, current, and vorticity. Here, the equations are separated into the slowly evolving part of the axisymmetric component by taking a time average of the axisymmetric component. The time-averaged fluxes, which are quadratic in fluctuating quantities, act as driven terms for the time-averaged axisymmetric quantities that determine the plasma transport, and therefore the large-scale evolution of the plasma profiles. Then the HL-2A's ELM cycles are simulated using the model. Good agreements of ELM size and pedestal recovery time have been achieved for the solutions obtained from the coupled simulation compared with experiment. For one ELM cycle simulation, the coupled code can achieve a speedup of a factor of up to 30 over standalone code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

Phase space effects on fast ion distribution function modeling in tokamaks

Integrated simulations of tokamak discharges typically rely on classical physics to model energetic particle (EP) dynamics. However, there are numerous cases in which energetic particles can suffer additional transport that is not classical in nature. Examples include transport by applied 3D magnetic perturbations and, more notably, by plasma instabilities. Focusing on the effects of instabilities, ad-hoc models can empirically reproduce increased transport, but the choice of transport coefficients is usually somehow arbitrary. New approaches based on physics-based reduced models are being developed to address those issues in a simplified way, while retaining a more correct treatment of resonant wave-particle interactions. The kick model implemented in the tokamak transport code TRANSP is an example of such reduced models. It includes modifications of the EP distribution by instabilities in real and velocity space, retaining correlations between transport in energy and space typical of resonant EP transport. The relevance of EP phase space modifications by instabilities is first discussed in terms of predicted fast ion distribution. Results are compared with those from a simple, ad-hoc diffusive model. It is then shown that the phase-space resolved model can also provide additional insight into important issues such as internal consistency of the simulations and mode stability through the analysis of the power exchanged between energetic particles and the instabilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

A simulation‐based integrated virtual testbed for dynamic optimization in smart manufacturing systems

Abstract In a manufacturing system, production control‐related decision‐making activities occur at different levels. At the process level, one of the main control activities is to tune the parameters of individual manufacturing equipment. At the system level, the main activity is to coordinate production resources and to route parts to appropriate workstations based on their processing requirement, priority indices, and control policy. At the factory level, the goal is to plan and schedule the processing of parts at different operations for the entire system in order to optimize certain objectives. Note that the results of such activities at different levels are closely coupled and affect the overall performance of the manufacturing system as a whole. Therefore, it is important to systematically integrate these control and optimization activities into one unified platform to ensure the goal of each individual activity is aligned with the overall performance of the system. In this paper, we develop a simulation‐based virtual testbed that implements dynamic optimization, automatic information exchange, and decision‐making from the process‐level, system‐level, and factory‐level of a manufacturing system into an integrated computation environment. This is demonstrated by connecting a Python‐based numerical computation program, discrete‐event simulation software (Simul8), and an optimization solver (CPLEX) via a third‐party master program. The application of this simulation‐based virtual testbed is illustrated by a case study in a machining shop.

Sun, Yuting↗

DOE OSTI2024

Integrating Experiments, Simulations, and Artificial Intelligence to Accelerate the Discovery of High-Performance Green Composites

The imperative for incorporating greener materials into the aerospace industry necessitates addressing significant challenges associated with the microstructural variability exhibited by recycled and sustainable feedstocks. In this study, we propose an integrated methodology that combines experimental investigations, finite element analysis, and artificial intelligence to develop sustainable composites with consistent properties. Our approach utilizes a pipeline comprising an automated mechanical tester, a finite element method simulator, and a convolutional neural network predictor to identify and optimize fabrication parameters for achieving desired mechanical characteristics in composites. By employing a nested-loop pipeline, our methodology improves sample efficiency, accuracy, and effectively bridges the gap between simulations and real-world performance. This unique methodology offers a promising avenue for facilitating the adoption of aerospace-appropriate green composites.

Athanasiou, Christos↗

DOE OSTI2021

Integration of Simulated and Real Distributed Acoustic Sensor Measurements to Develop AI Enhanced Intelligent Sensing Operations

Distributed acoustic sensors (DAS) have shown remarkable success in monitoring critical civil, energy and transportation assets over long distances and under harsh environmental conditions. Integration of artificial intelligence (AI) technologies with DAS can extend their operational capabilities from conventional tasks (e.g., vibration frequency detection) to more advanced intelligent tasks like anomaly detection. However, these AI technologies often require large labeled/ annotated DAS measurements datasets of the assets in both normal and anomalous operating conditions. This data acquisition task can be both time consuming and costly. This work develops a generative adversarial network based unsupervised domain adaptation framework to build intelligent DAS operational capabilities.

Venketeswaran, Abhishek↗

DOE OSTI2016

Integrated fusion simulation with self-consistent core-pedestal coupling

In this study, accurate prediction of fusion performance in present and future tokamaks requires taking into account the strong interplay between core transport, pedestal structure, current profile and plasma equilibrium. An integrated modeling workflow capable of calculating the steady-state self- consistent solution to this strongly-coupled problem has been developed. The workflow leverages state-of-the-art components for collisional and turbulent core transport, equilibrium and pedestal stability. Validation against DIII-D discharges shows that the workflow is capable of robustly pre- dicting the kinetic profiles (electron and ion temperature and electron density) from the axis to the separatrix in good agreement with the experiments. An example application is presented, showing self-consistent optimization for the fusion performance of the 15 MA D-T ITER baseline scenario as functions of the pedestal density and ion effective charge Z eff .

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Livermore Computing Integrates Advanced Cognitive Simulation Resource

With the integration of the first production Cerebras CS-1 system into Lassen, Livermore Computing (LC) is preparing the way for advanced cognitive simulation (CogSim) capabilities integrated into leadership HPC systems to support Artificial Intelligence (AI) driven computational needs of the Stockpile Stewardship Program.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Integrating HPC simulations and physical experiments to characterize the effects of gamma radiation on seismic protective devices

Seismic protective systems, composed of seismic isolators and dampers, can substantially reduce the effects of earthquake shaking on nuclear power plants and components therein. To enable the use of these devices to protect equipment inside a plant and close to a source of radiation, the U.S. Department of Energy (DOE) funded a project at the Idaho National Laboratory (INL) and the University at Buffalo to characterize the effects of absorbed gamma dose on their mechanical properties. An early task in the project was to determine the exposure time required in the INL Foss Therapy Services (FTS) 60 Co gamma irradiator to achieve a target absorbed dose in the materials used to construct isolators and dampers, including fluids, polymers, composites, and metals. This task required the novel integration of high-performance computing (HPC), Monte Carlo N-Particle (MCNP) simulations, and irradiation experiments using Fricke dosimetry. An MCNP model of the FTS irradiator at INL was developed and validated using Fricke dosimetry. Simulations of three experiments in the irradiator, two with Fricke vials only and one with Fricke vials and a large-size isolator, predicted the Fricke-measured absorbed dose rate to within 15% in all three cases, providing high confidence in the calculation of the gamma dose absorbed in the materials comprising the seismic protective devices. The simulations demonstrated that the effects of photon scattering on absorbed dose rate in the FTS irradiator are negligible for test articles installed close to the cobalt sources and near the rear of the irradiator. The validated MCNP model of the FTS irradiator is being used to support ongoing DOE-funded experiments on seismic protective devices and could be applied to future, non-seismic-related experiments. In conclusion, the novel validation process successfully deployed for the FTS irradiator at INL could be applied to other irradiators, requiring new MCNP models and simulations, and irradiation experiments using dosimeters.

42 - ENGINEERING↗

DOE OSTI2015

Multi-Physics Demonstration Problem with the SHARP Reactor Simulation Toolkit

This report describes to employ SHARP to perform a first-of-a-kind analysis of the core radial expansion phenomenon in an SFR. This effort required significant advances in the framework Multi-Physics Demonstration Problem with the SHARP Reactor Simulation Toolkit used to drive the coupled simulations, manipulate the mesh in response to the deformation of the geometry, and generate the necessary modified mesh files. Furthermore, the model geometry is fairly complex, and consistent mesh generation for the three physics modules required significant effort. Fully-integrated simulations of a 7-assembly mini-core test problem have been performed, and the results are presented here. Physics models of a full-core model of the Advanced Burner Test Reactor have also been developed for each of the three physics modules. Standalone results of each of the three physics modules for the ABTR are presented here, which provides a demonstration of the feasibility of the fully-integrated simulation.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

A Clustering-Based Scenario Generation Framework for Power Market Simulation with Wind Integration

A critical step in stochastic optimization models of power system analysis is to select a set of appropriate scenarios and significant numbers of scenario generation methods exist in the literature. This paper develops a clustering based scenario generation method, which aims to improve the performance of existing scenario generation techniques by grouping a set of correlated wind sites into clusters according to their cross-correlations. Copula based models are utilized to model spatiotemporal correlations and the Gibbs sampling is then used to generate scenarios for day-ahead markets. Our results show that the generated scenarios based on clustered wind sites outperform existing approaches in terms of reliability and sharpness and can reduce the total computational time for scenario generation and reduction significantly. The clustering-based framework can therefore provide a better support for real-world market simulations with high wind penetration.

data visualization↗

DOE OSTI2025

Hydrologic response of artificially drained agricultural watersheds: insights from high-resolution integrated surface/subsurface simulations

Artificial drainage systems comprising subsurface networks of perforated pipes (tile drains) and engineered surface ditches are widely used to remove excess water from poorly drained agricultural regions. Artificial drainage lowers the water table by design but also has inadvertent effects on the watershed-scale hydrologic response with important implications for flood risk and nutrient exports. We investigated the effects of tile drains on watershed-scale hydrologic response in the Portage River, OH, Watershed using a high-resolution physically based integrated surface/subsurface hydrology model with recently developed capabilities to represent artificial drainage. Tile drains were found to enhance streamflow during times of low flow, generally consistent with previous studies. Streamflow flashiness was found to have a non-monotonic dependence on tile spacing with a minimum at intermediate spacings (∼50 m). Flashiness and the event hydrographs for small tile spacing were similar to the situation with no tiles, but flow paths from farm to stream were very different for those two end member cases, emphasizing the limitations of the stream hydrograph in characterizing hydrologic response. For typical tile spacings, peak flow can either be enhanced or attenuated by the presence of tiles, depending on the size of the event and the antecedent meteorological conditions. Tiles enhance peak flow when the event is below a threshold of ∼25 mm or when events arrive in dry conditions. Peak flow is reduced by tiles when events are large and arrive in conditions that are not overly dry. The dependence on event size and antecedent conditions is explained by differences in available storage and flow paths to the streams. These results provide additional insights into how tile drainage modulates event-scale hydrologic response, an important control on flood generation mechanisms and nutrient exports.

agricultural watershed↗

DOE OSTI2013

Simulation of integrated pollutant removal (IPR) water-treatment system using ASPEN Plus

Capturing CO2 from fossil fuel combustion provides an opportunity for tapping a significant water source which can be used as service water for a capture-ready power plant and its peripherals. Researchers at the National Energy Technology Laboratory (NETL) have patented a process—Integrated Pollutant Removal (IPR®)—that uses off-the-shelf technology to produce a sequestration ready CO2 stream from an oxy-combustion power plant. Water condensed from oxy-combustion flue gas via the IPR system has been analyzed for composition and an approach for its treatment—for in-process reuse and for release—has been outlined. A computer simulation model in ASPEN Plus has been developed to simulate water treatment of flue gas derived wastewater from IPR systems. At the field installation, water condensed in the IPR process contains fly ash particles, sodium (largely from spray-tower buffering) and sulfur species as well as heavy metals, cations, and anions. An IPR wastewater treatment system was modeled using unit operations such as equalization, coagulation and flocculation, reverse osmosis, lime softening, crystallization, and pH correction. According to the model results, 70% (by mass) of the inlet stream can be treated as pure water, the other 20% yields as saleable products such as gypsum (CaSO4) and salt (NaCl) and the remaining portion is the waste. More than 99% of fly ash particles are removed in the coagulation and flocculation unit and these solids can be used as filler materials in various applications with further treatment. Results discussed relate to a slipstream IPR installation and are verified experimentally in the coagulation/flocculation step.

20 FOSSIL-FUELED POWER PLANTS↗